The molecule <smiles>[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/[C@H](OC)[C@@H](O)CC\C(C)=C/C(=O)O2)O1</smiles> <smiles>[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/[C@H](OC)[C@@H](O)CC\C(C)=C/C(=O)O2)O1</smiles> is latrunculol B. It has the role of metabolite . It is also related to or classified as macrolide  .


The molecule <smiles>O[C@H]1[C@H](Oc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1OS(O)(=O)=O)C(O)=O</smiles> <smiles>O[C@H]1[C@H](Oc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1OS(O)(=O)=O)C(O)=O</smiles> is A  glycosyloxyflavone and a  monosaccharide sulfate that is the 8-O-beta-D-glucuronopyranoside-3''-O-sulfate derivative of  hypolaetin. It has been isolated from the seeds of Theobroma grandiflorum and has been shown to exhibit antioxidant activity. It has the role of antioxidant . It has the role of plant metabolite . Its functional parent is hypolaetin .   It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as glucosiduronic acid , monosaccharide sulfate .


The molecule <smiles>[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)C(=O)\C=C\C(O)CC\C(C)=C/C(=O)O2)O1</smiles> <smiles>[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)C(=O)\C=C\C(O)CC\C(C)=C/C(=O)O2)O1</smiles> is latrunculone A. It has the role of metabolite . It is also related to or classified as macrolide  .


The molecule <smiles>C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCP(C)(O)=O)C(O)=O</smiles> <smiles>C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCP(C)(O)=O)C(O)=O</smiles> is A tripeptide comprising one L-phosphinothricyl and two L-alanyl units joined in sequence. It has the role of antimicrobial agent . It has the role of bacterial metabolite .  It is also related to or classified as tripeptide  . It is also related to or classified as phosphinic acids .


The molecule <smiles>C[C@@]1(O)CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CCO</smiles> <smiles>C[C@@]1(O)CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CCO</smiles> is A  diterpenoid that is 13,14,15,16-tetranorlabdane substituted  by hydroxy grousp at positions 8, 12 and 18. It has been isolated from the aerial parts of Crassocephalum mannii and has been shown to exhibit COX-1 and COX-2 activity. It has the role of cyclooxygenase 2 inhibitor . It has the role of cyclooxygenase 1 inhibitor . It has the role of plant metabolite . It is also related to or classified as diterpenoid  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as triol .


The molecule <smiles>[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/[C@H](O)[C@@H](O)CC\C(C)=C/C(=O)O2)O1</smiles> <smiles>[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/[C@H](O)[C@@H](O)CC\C(C)=C/C(=O)O2)O1</smiles> is latrunculol A. It has the role of metabolite . It is also related to or classified as macrolide  .


The molecule <smiles>C\C(CC\C=C(/C)CCC=C(CO)CO)=C/CC\C=C(/C)CC\C=C(/C)CCC=C(CO)CO</smiles> <smiles>C\C(CC\C=C(/C)CCC=C(CO)CO)=C/CC\C=C(/C)CC\C=C(/C)CCC=C(CO)CO</smiles> is A  triterpenoid that is  squalene substituted by four hydroxy groups. It is isolated from Rhus taitensis and has been shown to exhibit antimycobacterial activity. It has the role of metabolite . It has the role of antimycobacterial drug . It is also related to or classified as primary alcohol  .  It is also related to or classified as triterpenoid  . It is also related to or classified as tetrol .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)[C@H](CC(=O)[C@]4(CO)[C@H]3CC[C@]12C)OS(O)(=O)=O)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)[C@H](CC(=O)[C@]4(CO)[C@H]3CC[C@]12C)OS(O)(=O)=O)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A  withanolide that is 2,3-dihydrowithaferin A substituted by a hydroxy group at position 19 and a sulfoxy group at position 3. Isolated from Physalis longifolia, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of plant metabolite . Its functional parent is withaferin A .  It is also related to or classified as primary alcohol  .  It is also related to or classified as delta-lactone  . It is also related to or classified as secondary alcohol  . It is also related to or classified as epoxy steroid , steroid sulfate , 19-hydroxy steroid , 27-hydroxy steroid , ergostanoid , 4-hydroxy steroid , withanolide .


The molecule <smiles>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)c(O)c(O)c4c3=O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)c(O)c(O)c4c3=O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> is A glycosyloxyflavone that is 3,5,6,7,4'-pentahydroxyflavonol substituted by a rutinosyl group at position 3 via a glycosidic linkage. Isolated from  Daphniphyllum calycinum, it exhibits antioxidant activity. It has the role of metabolite . It has the role of radical scavenger . It is also related to or classified as rutinoside  . It is also related to or classified as tetrahydroxyflavone  . It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as disaccharide derivative .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@H]5CC(=O)[C@](C)([C@H]3CC[C@]12C)[C@@]4(O)[C@H]5O)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@H]5CC(=O)[C@](C)([C@H]3CC[C@]12C)[C@@]4(O)[C@H]5O)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A withanolide that is 3,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 4, 5 and 27 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Physalis longifolia. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as delta-lactone  . It is also related to or classified as secondary alcohol  . It is also related to or classified as cyclic ether , 27-hydroxy steroid , 5beta-hydroxy steroid , ergostanoid , 4-hydroxy steroid , withanolide .


The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2cc(O)cc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2cc(O)cc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A flavanone glycoside that is (2S)-5,7,3',5'-tetrahydroxyflavanone attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Isolated from Jasminum lanceolarium, it exhibits radical scavenging activity. It has the role of metabolite . It has the role of radical scavenger . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as trihydroxyflavanone , monosaccharide derivative , flavanone glycoside .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)CCC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)CCC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A withanolide that is the 2,3-dihydro derivative of withaferin A. It has been isolated from the aerial parts of Physalis longifolia. It has the role of plant metabolite . Its functional parent is withaferin A .  It is also related to or classified as primary alcohol  . It is also related to or classified as delta-lactone  . It is also related to or classified as secondary alcohol  . It is also related to or classified as epoxy steroid , 27-hydroxy steroid , ergostanoid , 4-hydroxy steroid , withanolide .


The molecule <smiles>CC(C)=CCc1c(O)c(O)c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2c1CC=C(C)C</smiles> <smiles>CC(C)=CCc1c(O)c(O)c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2c1CC=C(C)C</smiles> is A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 3, 4, 6 and 8 and prenyl groups at positions 1, 2 and 5. Isolated from Garcinia xanthochymus, it exhibits enhancement of nerve growth factor-mediated neurite outgrowth in PC12D cells. It has the role of metabolite . It has the role of nerve growth factor stimulator . It is also related to or classified as phenols  . It is also related to or classified as xanthones .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)[C@H](CC(=O)[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)[C@H](CC(=O)[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A withanolide that is 2,3-dihydrowithaferin A substituted by a sulfoxy group at position 3. Isolated from Physalis longifolia, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of plant metabolite . Its functional parent is withaferin A .  It is also related to or classified as primary alcohol  .  It is also related to or classified as delta-lactone  . It is also related to or classified as epoxy steroid , steroid sulfate , 27-hydroxy steroid , ergostanoid , 4-hydroxy steroid , withanolide .


The molecule <smiles>CC(C)=CCc1c(O)c(O)ccc1-c1coc2cc(O)cc(O)c2c1=O</smiles> <smiles>CC(C)=CCc1c(O)c(O)ccc1-c1coc2cc(O)cc(O)c2c1=O</smiles> is A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone with additional hydroxy groups at positions 5, 3' and 4' and a prenyl group at position 2'. Isolated from the roots of Psorothamnus arborescens, it exhibits antileishmanial activity. It has the role of metabolite . It has the role of antileishmanial agent . It is also related to or classified as 7-hydroxyisoflavones  .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)[C@@H](O)CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)[C@@H](O)CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A withanolide that is 5,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 3, 4 and 27 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Physalis longifolia. It has the role of plant metabolite .  It is also related to or classified as primary alcohol  . It is also related to or classified as delta-lactone  . It is also related to or classified as 3beta-hydroxy steroid  .     It is also related to or classified as secondary alcohol  . It is also related to or classified as epoxy steroid , 27-hydroxy steroid , ergostanoid , 4-hydroxy steroid , withanolide .


The molecule <smiles>[H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@@]5([H])[C@@]([H])(O[C@@H](OC5(C)C)C=C(C)C)[C@@]5([H])O[C@@]345)[C@@]1(C)c1[nH]c3cccc(CC=C(C)C)c3c1C2</smiles> <smiles>[H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@@]5([H])[C@@]([H])(O[C@@H](OC5(C)C)C=C(C)C)[C@@]5([H])O[C@@]345)[C@@]1(C)c1[nH]c3cccc(CC=C(C)C)c3c1C2</smiles> is A natural product found in Albophoma yamanashiensis. It has the role of metabolite . It has the role of EC 2.3.1.26 (sterol O-acyltransferase) inhibitor . It is also related to or classified as tertiary alcohol  . It is also related to or classified as epoxide  . It is also related to or classified as organic heterooctacyclic compound , cyclic acetal .


The molecule <smiles>CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C[C@H]3O[C@@]23[C@H]1O)[C@H](C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> <smiles>CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C[C@H]3O[C@@]23[C@H]1O)[C@H](C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A withanolide that is 2,3-dihydrowithaferin A substituted by a beta-methoxy group at position 3. It has been isolated from the aerial parts of Physalis longifolia. It has the role of metabolite . It has the role of plant metabolite . Its functional parent is withaferin A .  It is also related to or classified as primary alcohol  . It is also related to or classified as delta-lactone  . It is also related to or classified as secondary alcohol  . It is also related to or classified as epoxy steroid , 27-hydroxy steroid , ergostanoid , 4-hydroxy steroid , withanolide .


The molecule <smiles>[H][C@@]12CC[C@]3(O)[C@](C)(CC=C4O[C@@]5([H])[C@@]([H])(O[C@@H](OC5(C)C)C=C(C)C)[C@@]5([H])O[C@@]345)[C@@]1(C)c1[nH]c3ccccc3c1C2</smiles> <smiles>[H][C@@]12CC[C@]3(O)[C@](C)(CC=C4O[C@@]5([H])[C@@]([H])(O[C@@H](OC5(C)C)C=C(C)C)[C@@]5([H])O[C@@]345)[C@@]1(C)c1[nH]c3ccccc3c1C2</smiles> is an organic heteroheptacyclic compound isolated from Albophoma yamanashiensis and has been shown to exhibit inhibitory activity against acyl-CoA:cholesterol acyltransferase. It has the role of metabolite . It has the role of EC 2.3.1.26 (sterol O-acyltransferase) inhibitor . It is also related to or classified as tertiary alcohol  . It is also related to or classified as epoxide  . It is also related to or classified as organic heterooctacyclic compound , cyclic acetal .


The molecule <smiles>C[C@](N)(Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>C[C@](N)(Cc1ccc(O)cc1)C(O)=O</smiles> is an L-tyrosine derivative that consists of L-tyrosine bearing an additional methyl substituent at position 2. An inhibitor of the enzyme tyrosine 3-monooxygenase, and consequently of the synthesis of catecholamines. It is used to control the symptoms of excessive sympathetic stimulation in patients with pheochromocytoma. It has the role of antihypertensive agent . It has the role of EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor . It is also related to or classified as L-tyrosine derivative , non-proteinogenic L-alpha-amino acid .


The molecule <smiles>[H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@@H]([C@@H](O)[C@@]5([H])O[C@@]345)C(C)(C)OCC=C(C)C)[C@@]1(C)c1[nH]c3ccccc3c1C2</smiles> <smiles>[H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@@H]([C@@H](O)[C@@]5([H])O[C@@]345)C(C)(C)OCC=C(C)C)[C@@]1(C)c1[nH]c3ccccc3c1C2</smiles> is an organic heteroheptacyclic compound isolated from Albophoma yamanashiensis and has been shown to exhibit inhibitory activity against acyl-CoA:cholesterol acyltransferase. It has the role of metabolite . It has the role of EC 2.3.1.26 (sterol O-acyltransferase) inhibitor . It is also related to or classified as tertiary alcohol  . It is also related to or classified as epoxide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as organonitrogen heterocyclic compound , secondary amino compound , organic heteroheptacyclic compound .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1</smiles> is A  withanolide saponin that consists of withaferin A attached to a beta-D-glucopyranosyl residue at position 27 via a glycosidic linkage. Isolated from Physalis longifolia, it exhibits antineoplastic activity. It has the role of antineoplastic agent . It has the role of plant metabolite . Its functional parent is withaferin A .  It is also related to or classified as delta-lactone  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as enone  . It is also related to or classified as epoxy steroid , ergostanoid , 4-hydroxy steroid , monosaccharide derivative , withanolide saponin .


The molecule <smiles>OC[C@H]1O[C@@H](OCCc2cc(O)c(O)cc2O)[C@H](OC(=O)Cc2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](OCCc2cc(O)c(O)cc2O)[C@H](OC(=O)Cc2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O</smiles> is A beta-D-glucoside with 2-(2,4,5-trihydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 6. Isolated from Ternstroemia japonica, it exhibits antioxidant activity. It has the role of antioxidant . It has the role of metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as carboxylic ester  . It is also related to or classified as catechols  . It is also related to or classified as monosaccharide derivative , phenylethanoid .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC(=O)C4=C(CC[C@@H](O)C4)[C@H]3CC[C@]12C)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC(=O)C4=C(CC[C@@H](O)C4)[C@H]3CC[C@]12C)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1</smiles> is A steroid saponin that is the monosaccharide derivative of the 19-norwithanolide. It has been isolated from the aerial parts of Physalis longifolia. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as delta-lactone  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as steroid saponin , monosaccharide derivative .


The molecule <smiles>OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](OC(=O)Cc2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](OC(=O)Cc2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O</smiles> is A beta-D-glucoside with 2-(4-hydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 6. Isolated from Ternstroemia japonica, it exhibits antioxidant activity. It has the role of antioxidant . It has the role of metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as carboxylic ester  . It is also related to or classified as catechols  . It is also related to or classified as monosaccharide derivative , phenylethanoid .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@]12C)C(=O)C[C@H](O)C4)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@]12C)C(=O)C[C@H](O)C4)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1</smiles> is A steroid saponin that is the monosaccharide derivative of the 19-norwithanolide. It has been isolated from the aerial parts of Physalis longifolia. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as delta-lactone  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as steroid saponin , monosaccharide derivative .


The molecule <smiles>O[C@H]1[C@H](O)[C@@H](O)[C@H](OCCc2ccc(O)c(O)c2)O[C@@H]1COC(=O)Cc1ccc(O)c(O)c1</smiles> <smiles>O[C@H]1[C@H](O)[C@@H](O)[C@H](OCCc2ccc(O)c(O)c2)O[C@@H]1COC(=O)Cc1ccc(O)c(O)c1</smiles> is A beta-D-glucoside with 2-(3,4-dihydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 6. Isolated from Ternstroemia japonica, it exhibits antioxidant activity. It has the role of antioxidant . It has the role of metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as carboxylic ester  . It is also related to or classified as catechols  . It is also related to or classified as monosaccharide derivative , phenylethanoid .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C([C@H]3CC[C@]12C)C(=O)C[C@H](O)C4)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C([C@H]3CC[C@]12C)C(=O)C[C@H](O)C4)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1</smiles> is A steroid saponin that is the monosaccharide derivative of the 19-norwithanolide. It has been isolated from the aerial parts of Physalis longifolia. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as delta-lactone  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as 6alpha-hydroxy steroid , steroid saponin , monosaccharide derivative .


The molecule <smiles>OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](OC(=O)Cc2ccc(O)c(O)c2)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](OC(=O)Cc2ccc(O)c(O)c2)[C@@H]1O</smiles> is A beta-D-glucoside with 2-(3,4-dihydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 3. Isolated from Ternstroemia japonica, it exhibits antioxidant activity. It has the role of antioxidant . It has the role of metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as carboxylic ester  . It is also related to or classified as catechols  . It is also related to or classified as monosaccharide derivative , phenylethanoid .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)c4cccc(O)c4[C@H]3CC[C@]12C)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)c4cccc(O)c4[C@H]3CC[C@]12C)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1</smiles> is A steroid saponin that is the monosaccharide derivative of the 19-norwithanolide. It has been isolated from the aerial parts of Physalis longifolia. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as delta-lactone  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as 6alpha-hydroxy steroid , steroid saponin , monosaccharide derivative , 1-hydroxy steroid .


The molecule <smiles>OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](OC(=O)Cc2ccc(O)cc2)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](OC(=O)Cc2ccc(O)cc2)[C@@H](O)[C@@H]1O</smiles> is A beta-D-glucoside with 2-(3,4-dihydroxyphenyl)ethoxy residue at the anomeric position and a [(4-hydroxyphenyl)acetyl]oxy residue at position 2. Isolated from Ternstroemia japonica, it exhibits antioxidant activity. It has the role of antioxidant . It has the role of metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as carboxylic ester  . It is also related to or classified as catechols  . It is also related to or classified as monosaccharide derivative , phenylethanoid .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(CO)[C@H]3CC[C@]12C)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(CO)[C@H]3CC[C@]12C)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1</smiles> is A withanolide saponin that consists of 22,26-epoxyergosta-5,24-dien-28-ol substituted by additional hydroxy groups at positions 1, 3 and 19, an oxo group at position 26 and a beta-D-glucopyranosyl residue at position 28 via a glycosidic linkage. It has been isolated from the aerial parts of Physalis longifolia. It has the role of plant metabolite . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as delta-lactone  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as 19-hydroxy steroid , ergostanoid , monosaccharide derivative , 1-hydroxy steroid , withanolide saponin .


The molecule <smiles>OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](OC(=O)Cc2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](OC(=O)Cc2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O</smiles> is A  beta-D-glucoside with 2-(3,4-dihydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 2. Isolated from Ternstroemia japonica, it exhibits antioxidant activity. It has the role of antioxidant . It has the role of metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as carboxylic ester  . It is also related to or classified as catechols  . It is also related to or classified as monosaccharide derivative , phenylethanoid .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC(=O)[C@]4(CO)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC(=O)[C@]4(CO)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A  withanolide saponin that consists of 3-hydroxy-22,26-epoxyergosta-5,24-diene substituted by additonal hydroxy groups at positions 19 and 27, oxo groups at positions 1 and 26 and a beta-D-glucopyranosyl residue at position 3 via a glycodic linkage. It has been isolated from Physalis longifolia. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as delta-lactone  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as 19-hydroxy steroid , 27-hydroxy steroid , ergostanoid , monosaccharide derivative , withanolide saponin .


The molecule <smiles>Oc1ccc(CC(=C)C(=C)Cc2ccc3OCOc3c2)cc1</smiles> <smiles>Oc1ccc(CC(=C)C(=C)Cc2ccc3OCOc3c2)cc1</smiles> is an  olefinic compound that is 2,3-dimethylbuta-1,3-diene substituted by a 4-hydroxyphenyl and a 1,3-benzodioxol-5-yl group. It has been isolated from Terminalia sericea. It has the role of antibacterial agent . It has the role of plant metabolite . It is also related to or classified as phenols  . It is also related to or classified as benzodioxoles , olefinic compound .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(=O)O1</smiles> is A  withanolide saponin that consists of withaferin A attached to a alpha-L-rhamnopyranosyl(1->4)-beta-D-glucopyranosyl residue via a glycosidic linkage. Isolated from the aerial parts of Physalis longifolia, it exhibits antineoplastic activity. It has the role of antineoplastic agent . It has the role of plant metabolite . Its functional parent is withaferin A .  It is also related to or classified as delta-lactone  . It is also related to or classified as epoxy steroid , ergostanoid , 4-hydroxy steroid , disaccharide derivative , withanolide saponin .


The molecule <smiles>[H][C@]12Oc3ccc(C(=O)\C=C\c4ccccc4)c(O)c3[C@@]1([H])[C@H](O)C(C)(C)O2</smiles> <smiles>[H][C@]12Oc3ccc(C(=O)\C=C\c4ccccc4)c(O)c3[C@@]1([H])[C@H](O)C(C)(C)O2</smiles> is A member of the class of  chalcones isolated from Tephrosia purpurea and has been shown to exhibit antineoplastic activity. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as chalcones  .  It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as organic heterotricyclic compound , cyclic ether .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A steroid lactone that is a 4-norwithanolide with a 2,5-dien-1-one system isolated from the aerial parts of Physalis longifolia. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as delta-lactone  . It is also related to or classified as steroid lactone .


The molecule <smiles>[H][C@@]1(COC(C)(C)[C@@]1([H])OC(=O)\C=C\c1ccccc1)c1c(O)ccc2C(=O)C[C@H](Oc12)c1ccccc1</smiles> <smiles>[H][C@@]1(COC(C)(C)[C@@]1([H])OC(=O)\C=C\c1ccccc1)c1c(O)ccc2C(=O)C[C@H](Oc12)c1ccccc1</smiles> is A  monohydroxyflavanone that is (2S)-7-hydroxyflavanone substituted at position 8 by a tetrahydrofuran ring  which in turn is substituted by geminal methyl groups at position 2 and a cinnamoyloxy group at position 3. Isolated from Tephrosia purpurea, it exhibits antineoplastic activity. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as oxolanes , cinnamate ester , monohydroxyflavanone .


The molecule <smiles>CO[C@H]1CC(=O)[C@]2(C)[C@H]3[C@@H](O)C[C@]4(C)[C@H](CC[C@H]4[C@@H]3C[C@H]3O[C@@]23[C@H]1O)[C@H](C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> <smiles>CO[C@H]1CC(=O)[C@]2(C)[C@H]3[C@@H](O)C[C@]4(C)[C@H](CC[C@H]4[C@@H]3C[C@H]3O[C@@]23[C@H]1O)[C@H](C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A withanolide that is 5,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 4, 11 and 27, a methoxy group at position 3 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Physalis longifolia. It has the role of metabolite . It has the role of plant metabolite .  It is also related to or classified as primary alcohol  . It is also related to or classified as delta-lactone  . It is also related to or classified as 11beta-hydroxy steroid  . It is also related to or classified as secondary alcohol  . It is also related to or classified as epoxy steroid , 27-hydroxy steroid , ergostanoid , 4-hydroxy steroid , withanolide .


The molecule <smiles>COc1ccc2C(=O)C[C@H](Oc2c1[C@H]1[C@@H](O)OC(C)(C)[C@H]1OC(C)=O)c1ccccc1</smiles> <smiles>COc1ccc2C(=O)C[C@H](Oc2c1[C@H]1[C@@H](O)OC(C)(C)[C@H]1OC(C)=O)c1ccccc1</smiles> is A  monomethoxyflavanone that is (2S)-7-methoxyflavanone substituted at position 8 by a tetrahydrofuran ring which in turn is substituted by geminal methyl groups at position 2, an acetoxy group at position 3 and a hydroxy group at position 5. Isolated from Tephrosia purpurea, it exhibits antineoplastic activity. It has the role of antineoplastic agent . It has the role of plant metabolite .  It is also related to or classified as secondary alcohol  .  It is also related to or classified as acetate ester  . It is also related to or classified as oxolanes , monomethoxyflavanone .


The molecule <smiles>CO[C@H]1CC(=O)[C@]2(CO)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C[C@H]3O[C@@]23[C@H]1O)[C@H](C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> <smiles>CO[C@H]1CC(=O)[C@]2(CO)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C[C@H]3O[C@@]23[C@H]1O)[C@H](C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A withanolide that is 5,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 4, 19 and 27, a methoxy group at position 3 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Physalis longifolia. It has the role of metabolite . It has the role of plant metabolite .  It is also related to or classified as primary alcohol  . It is also related to or classified as delta-lactone  . It is also related to or classified as secondary alcohol  . It is also related to or classified as epoxy steroid , 19-hydroxy steroid , 27-hydroxy steroid , ergostanoid , 4-hydroxy steroid , withanolide .


The molecule <smiles>[H][C@]12[C@H](CC(C)=C([C@H](C[C@]3(C)CC[C@H](O)C(=C)[C@@]3([H])[C@@H]1OC(C)=O)OC(C)=O)C2(C)C)OC(=O)[C@H](C)[C@H](C)O</smiles> <smiles>[H][C@]12[C@H](CC(C)=C([C@H](C[C@]3(C)CC[C@H](O)C(=C)[C@@]3([H])[C@@H]1OC(C)=O)OC(C)=O)C2(C)C)OC(=O)[C@H](C)[C@H](C)O</smiles> is Tasumatrol K. It has the role of metabolite . It is also related to or classified as taxane diterpenoid .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A withanolide that is withaferin A substituted by a hydroxy group at position 11. Isolated from Physalis longifolia, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of plant metabolite . Its functional parent is withaferin A .  It is also related to or classified as primary alcohol  . It is also related to or classified as delta-lactone  . It is also related to or classified as 11beta-hydroxy steroid  . It is also related to or classified as secondary alcohol  .   It is also related to or classified as enone  . It is also related to or classified as epoxy steroid , 27-hydroxy steroid , ergostanoid , 4-hydroxy steroid , withanolide .


The molecule <smiles>[H][C@@]12C[C@H](O)[C@]3(C)[C@]([H])([C@H](OC(=O)c4ccccc4)[C@]45CCC(C)=C4[C@@]3(O)C(=O)OC5(C)C)[C@@]1(CO2)OC(C)=O</smiles> <smiles>[H][C@@]12C[C@H](O)[C@]3(C)[C@]([H])([C@H](OC(=O)c4ccccc4)[C@]45CCC(C)=C4[C@@]3(O)C(=O)OC5(C)C)[C@@]1(CO2)OC(C)=O</smiles> is Tasumatrol J(rel). It has the role of metabolite . It is also related to or classified as benzoate ester .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(CO)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(C)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(CO)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(C)C(=O)O1</smiles> is A withanolide that is 27-deoxywithaferin A substituted by a hydroxy group at position 19. Isolated from Physalis longifolia, it exhibits antineoplastic activity. It has the role of antineoplastic agent . Its functional parent is withaferin A .  It is also related to or classified as primary alcohol  . It is also related to or classified as delta-lactone  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as enone  . It is also related to or classified as epoxy steroid , ergostanoid , 4-hydroxy steroid , withanolide .


The molecule <smiles>[H][C@]12[C@H](OC(=O)c3ccccc3)[C@]34CCC(C)=C3[C@@](O)(C(=O)OC4(C)C)[C@]1(C)[C@@H](O)C[C@H](O)[C@@]2(O)COC(C)=O</smiles> <smiles>[H][C@]12[C@H](OC(=O)c3ccccc3)[C@]34CCC(C)=C3[C@@](O)(C(=O)OC4(C)C)[C@]1(C)[C@@H](O)C[C@H](O)[C@@]2(O)COC(C)=O</smiles> is Tasumatrol I(rel). It has the role of metabolite . It is also related to or classified as benzoate ester .


The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(CO)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(CO)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A withanolide that is withaferin A substituted by a hydroxy group at position 19. Isolated from Physalis longifolia, it exhibits antineoplastic activitiy. It has the role of antineoplastic agent . It has the role of plant metabolite . Its functional parent is withaferin A .  It is also related to or classified as primary alcohol  . It is also related to or classified as delta-lactone  . It is also related to or classified as secondary alcohol  .    It is also related to or classified as enone  . It is also related to or classified as epoxy steroid , 19-hydroxy steroid , 27-hydroxy steroid , ergostanoid , 4-hydroxy steroid , withanolide .


The molecule <smiles>[H][C@@]12[C@H](COC(C)=O)[C@H](C[C@H](OC(C)=O)[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](O)C1=C(C)[C@@H](O)C[C@]1([C@H]2O)C(C)(C)O)OC(C)=O</smiles> <smiles>[H][C@@]12[C@H](COC(C)=O)[C@H](C[C@H](OC(C)=O)[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](O)C1=C(C)[C@@H](O)C[C@]1([C@H]2O)C(C)(C)O)OC(C)=O</smiles> is A taxane diterpenoid isolated from Taxus sumatrana and has been shown to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as acetate ester  . It is also related to or classified as benzoate ester , taxane diterpenoid .


The molecule <smiles>[H][C@@]12CC[C@@]3([H])[C@]4(C)CCC[C@](C)(COC(C)=O)[C@@]4([H])C[C@@H](O)[C@@]3(CC1=C)C2</smiles> <smiles>[H][C@@]12CC[C@@]3([H])[C@]4(C)CCC[C@](C)(COC(C)=O)[C@@]4([H])C[C@@H](O)[C@@]3(CC1=C)C2</smiles> is ent-7alpha-hydroxy-18-acetoxykaur-16-ene. It has the role of metabolite . It is also related to or classified as kaurane diterpenoid .


The molecule <smiles>[H][C@]12[C@H](O)[C@@]3(C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@]1(C)[C@H](C[C@H](OC(C)=O)[C@@]2(O)COC(C)=O)OC(C)=O)C(C)(C)O</smiles> <smiles>[H][C@]12[C@H](O)[C@@]3(C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@]1(C)[C@H](C[C@H](OC(C)=O)[C@@]2(O)COC(C)=O)OC(C)=O)C(C)(C)O</smiles> is A  taxane diterpenoid isolated from Taxus sumatrana and has been shown to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  .   It is also related to or classified as acetate ester  . It is also related to or classified as benzoate ester , carbotricyclic compound , taxane diterpenoid .


The molecule <smiles>[H][C@@]12CC[C@@]3([H])[C@]4(C)CCC[C@](C)(COC(C)=O)[C@@]4([H])CC[C@@]3(CC1=C)[C@@H]2O</smiles> <smiles>[H][C@@]12CC[C@@]3([H])[C@]4(C)CCC[C@](C)(COC(C)=O)[C@@]4([H])CC[C@@]3(CC1=C)[C@@H]2O</smiles> is ent-14beta-hydroxy-18-acetoxykaur-16-ene. It has the role of metabolite . It is also related to or classified as kaurane diterpenoid .


The molecule <smiles>C1[C@H](O[C@@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)OC)O)C)C[C@]3([H])[C@@](C1)(C)[C@]4(CC[C@@]5(C)[C@]([C@@]64[C@@H](O6)C3)(O)CC[C@@H]5C=7COC(=O)C7)[H]</smiles> <smiles>C1[C@H](O[C@@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)OC)O)C)C[C@]3([H])[C@@](C1)(C)[C@]4(CC[C@@]5(C)[C@]([C@@]64[C@@H](O6)C3)(O)CC[C@@H]5C=7COC(=O)C7)[H]</smiles> is A  cardenolide glycoside that is the deacetyl derivative of tanghinin. Isolated from Cerbera manghas, it exhibits cytotoxic activities against oral human epidermoid carcinoma (KB), human breast cancer cell (BC) and human small cells lung cancer. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is tanghinigenin .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as epoxy steroid , cardenolide glycoside , monosaccharide derivative .


The molecule <smiles>[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C</smiles> <smiles>[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C</smiles> is dexamethasone in which the hydroxy group at the 17alpha position is substituted by hydrogen. A synthetic corticosteroid with glucocorticoid activity, it is used as an anti-inflammatory and anti-pruritic in the treatment of various skin disorders, including skin allergies and psoriasis. It has the role of anti-inflammatory drug . It has the role of antipruritic drug . It is also related to or classified as primary alpha-hydroxy ketone  .   It is also related to or classified as 11beta-hydroxy steroid  .   It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 21-hydroxy steroid , 20-oxo steroid , fluorinated steroid .


The molecule <smiles>C1[C@H](O[C@@]2(O[C@H]([C@@H]([C@H]([C@@H]2OC(C)=O)OC)O)C)[H])C[C@]3([H])[C@@](C1)(C)[C@]4(CC[C@@]5(C)[C@]([C@@]64[C@@H](O6)C3)(O)CC[C@@H]5C7=CC(=O)OC7)[H]</smiles> <smiles>C1[C@H](O[C@@]2(O[C@H]([C@@H]([C@H]([C@@H]2OC(C)=O)OC)O)C)[H])C[C@]3([H])[C@@](C1)(C)[C@]4(CC[C@@]5(C)[C@]([C@@]64[C@@H](O6)C3)(O)CC[C@@H]5C7=CC(=O)OC7)[H]</smiles> is A  cardenolide glycoside that is  tanghinigenin attached to a 2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl residue at position 3 via a glycosidc linkage. Isolated from Cerbera manghas, it exhibits cytotoxic activities against oral human epidermoid carcinoma (KB), human breast cancer cell (BC) and human small cells lung cancer. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is tanghinigenin . It is also related to or classified as tertiary alcohol  . It is also related to or classified as epoxide  .  It is also related to or classified as acetate ester  . It is also related to or classified as cardenolide glycoside , monosaccharide derivative .


The molecule <smiles>[H][C@@]12C[C@@H](O)[C@@]3([H])[C@]4(C)CCC[C@](C)(COC(C)=O)[C@@]4([H])CC[C@@]3(CC1=C)C2</smiles> <smiles>[H][C@@]12C[C@@H](O)[C@@]3([H])[C@]4(C)CCC[C@](C)(COC(C)=O)[C@@]4([H])CC[C@@]3(CC1=C)C2</smiles> is ent-11alpha-hydroxy-18-acetoxykaur-16-ene. It has the role of metabolite . It is also related to or classified as kaurane diterpenoid .


The molecule <smiles>CC(=C)C(O)CC\C(C)=C\Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)c(O)c1</smiles> <smiles>CC(=C)C(O)CC\C(C)=C\Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)c(O)c1</smiles> is A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' and a 6-hydroxy-3,7-dimethylocta-2,7-dienyl group at position 6. Isolated from Macaranga tanarius, it exhibits antineoplastic and radical scavenging activities. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of radical scavenger . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as secondary alcohol  . It is also related to or classified as tetrahydroxyflavanone .


The molecule <smiles>[H][C@@]12C[C@H](OC(C)=O)[C@@]3([H])[C@]4(C)CCC[C@](C)(CO)[C@@]4([H])CC[C@@]3(CC1=C)C2</smiles> <smiles>[H][C@@]12C[C@H](OC(C)=O)[C@@]3([H])[C@]4(C)CCC[C@](C)(CO)[C@@]4([H])CC[C@@]3(CC1=C)C2</smiles> is ent-11beta-acetoxykaur-16-en-18-ol. It has the role of metabolite . It is also related to or classified as kaurane diterpenoid .


The molecule <smiles>CC(=C)C(O)Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)c(O)c1C\C=C(/C)CCC=C(C)C</smiles> <smiles>CC(=C)C(O)Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)c(O)c1C\C=C(/C)CCC=C(C)C</smiles> is A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5,7, 3' and 4', a geranyl group at position 2' and a 2-hydroxy-3-methylbut-3-en-1yl group at position 6. Isolated from Macaranga tanarius, it exhibits radical scavenging activity. It has the role of metabolite . It has the role of radical scavenger . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as secondary alcohol  . It is also related to or classified as tetrahydroxyflavanone .


The molecule <smiles>[H][C@]12C(C)(C)CCC[C@@]11C(=O)O[C@]2(O)[C@H](O)C2=C[C@](C)(CC[C@]12O)C=C</smiles> <smiles>[H][C@]12C(C)(C)CCC[C@@]11C(=O)O[C@]2(O)[C@H](O)C2=C[C@](C)(CC[C@]12O)C=C</smiles> is Sphaeropsidin B. It has the role of metabolite . It is also related to or classified as gamma-lactone  .


The molecule <smiles>CC(C)=CCCC1(C)Oc2c(O)ccc([C@@H]3CC(=O)c4c(O3)cc(O)c(CC=C(C)C)c4O)c2C=C1</smiles> <smiles>CC(C)=CCCC1(C)Oc2c(O)ccc([C@@H]3CC(=O)c4c(O3)cc(O)c(CC=C(C)C)c4O)c2C=C1</smiles> is A trihydroxyflavanone that consists of (2S)-2,3-dihydro-2'H,4H-2,5'-bichromen-4-one skeleton substituted by hydroxy groups at positions 5, 7 and 8', a methyl group at position 2', a prenyl group at position 6 and a 4-methylpent-3-enyl group at position 2'. Isolated from Macaranga tanarius, it exhibits alleopathic effect. It has the role of allelochemical . It has the role of plant metabolite . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as trihydroxyflavanone .


The molecule <smiles>COc1cc(O)c(c2oc(=O)c(cc12)-c1ccc(O)cc1O)C(C)(C)C=C</smiles> <smiles>COc1cc(O)c(c2oc(=O)c(cc12)-c1ccc(O)cc1O)C(C)(C)C=C</smiles> is A member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 5, a 2-methylbut-3-en-2yl group at position 8 and a 2,4-dihydroxyphenyl group at position 3. It has been isolated from Glycyrrhiza uralensis. It has the role of plant metabolite . Its functional parent is coumarin . It is also related to or classified as coumarins , resorcinols , aromatic ether .


The molecule <smiles>CC(C)=CCC\C(C)=C\Cc1c(O)c(O)ccc1[C@@H]1CC(=O)c2c(O1)cc1OC(C)(C)C(O)Cc1c2O</smiles> <smiles>CC(C)=CCC\C(C)=C\Cc1c(O)c(O)ccc1[C@@H]1CC(=O)c2c(O1)cc1OC(C)(C)C(O)Cc1c2O</smiles> is A  hydroxyflavanone with a  pyranochromane skeleton that is 3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one substituted by geminal methyl groups at position 2, hydroxy groups at positions 3 and 5 and a phenyl group at position 8 which in turn is substituted by a geranyl group at position 2 and hydroxy groups at positions 3 and 4. Isolated from Macaranga tanarius, it exhibits alleopathic effect. It has the role of allelochemical . It has the role of plant metabolite . It is also related to or classified as hydroxyflavanone  . It is also related to or classified as extended flavonoid , pyranochromane .


The molecule <smiles>COc1cc2oc(cc2c(OC)c1CC=C(C)C)-c1ccc(O)cc1O</smiles> <smiles>COc1cc2oc(cc2c(OC)c1CC=C(C)C)-c1ccc(O)cc1O</smiles> is A member of the class of 1-benzofurans which consists of 1-benzofuran substituted by methoxy groups at positions 4 and 6, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis. It has the role of antibacterial agent . It has the role of plant metabolite . It is also related to or classified as resorcinols , aromatic ether , 1-benzofurans .


The molecule <smiles>C[C@@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]4O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]4O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O</smiles> is A  glycosyloxyisoflavone that is  genistein attached to alpha-L-6-deoxy-talopyranosyl residues at positions 7 and 4' respectively. Isolated from Kitasatospora kifunensis, it exhibits antifungal activity. It has the role of metabolite . It has the role of antifungal agent . Its functional parent is genistein . It is also related to or classified as hydroxyisoflavone , glycosyloxyisoflavone .


The molecule <smiles>COc1c(CC=C(C)C)c(O)cc2oc(cc12)-c1ccc(O)cc1O</smiles> <smiles>COc1c(CC=C(C)C)c(O)cc2oc(cc12)-c1ccc(O)cc1O</smiles> is A member of the class of 1-benzofurans which consists of 1-benzofuran substituted by a hydroxy group at position 6, a methoxy group at position 4, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis. It has the role of antibacterial agent . It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor . It has the role of apoptosis inducer . It has the role of plant metabolite . It is also related to or classified as resorcinols , aromatic ether , 1-benzofurans .


The molecule <smiles>C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@H](O)[C@@H]1O</smiles> is A  glycosyloxyisoflavone that is  genistein attached to a alpha-L-6-deoxy-talopyranosyl residue at position 7 via a glycosidic linkage. Isolated from Kitasatospora kifunensis, it exhibits antifungal activity. It has the role of metabolite . It has the role of antifungal agent . It has the role of anti-inflammatory agent . It has the role of NF-kappaB inhibitor . Its functional parent is genistein . It is also related to or classified as hydroxyisoflavone , monosaccharide derivative , glycosyloxyisoflavone .


The molecule <smiles>COc1cc2OC[C@@H]3[C@@H](Oc4cc(O)ccc34)c2c(OC)c1CC=C(C)C</smiles> <smiles>COc1cc2OC[C@@H]3[C@@H](Oc4cc(O)ccc34)c2c(OC)c1CC=C(C)C</smiles> is A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by a hydroxy group at position 9, methoxy groups at position 1 and 3 and a prenyl group at position 2. It has been isolated from Glycyrrhiza uralensis. It has the role of plant metabolite . Its functional parent is (6aR,11aR)-pterocarpan . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether .


The molecule <smiles>CCCCCC(=O)OC1C(C)C(C)C\C(=C\C(=O)OC)C2(COc3c4OCOc4cc1c23)C(=O)C(=O)OC</smiles> <smiles>CCCCCC(=O)OC1C(C)C(C)C\C(=C\C(=O)OC)C2(COc3c4OCOc4cc1c23)C(=O)C(=O)OC</smiles> is an  organic heterotetracyclic compound isolated from the stems of Kadsura matsudai. It has the role of plant metabolite . It is also related to or classified as methyl ester  .   It is also related to or classified as enoate ester  . It is also related to or classified as alpha-ketoester  . It is also related to or classified as hexanoate ester  . It is also related to or classified as cyclic ether , organic heterotetracyclic compound .


The molecule <smiles>COc1c(CC=C(C)C)c(O)cc2OC[C@@H]3[C@@H](Oc4cc(O)c(CC=C(C)C)cc34)c12</smiles> <smiles>COc1c(CC=C(C)C)c(O)cc2OC[C@@H]3[C@@H](Oc4cc(O)c(CC=C(C)C)cc34)c12</smiles> is A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 1 and a prenyl groups at positions 2 and 8. It has been isolated from Glycyrrhiza uralensis. It has the role of plant metabolite . Its functional parent is (6aR,11aR)-pterocarpan .  It is also related to or classified as pterocarpans  . It is also related to or classified as polyphenol , aromatic ether .


The molecule <smiles>COC(=O)\C=C1\[C@H](OC(=O)c2ccccc2)[C@@]2(C)O[C@](O)(C(=O)OC)[C@@]11COc3c4OCOc4cc([C@H](OC(C)=O)[C@@H]2C)c13</smiles> <smiles>COC(=O)\C=C1\[C@H](OC(=O)c2ccccc2)[C@@]2(C)O[C@](O)(C(=O)OC)[C@@]11COc3c4OCOc4cc([C@H](OC(C)=O)[C@@H]2C)c13</smiles> is an organic heteropentacyclic compound found in Kadsura philippinensis. A homolignan that has been found to exhibit mild cytotoxicity against human KB and Hela tumor cells. It has the role of plant metabolite . It is also related to or classified as methyl ester  .    It is also related to or classified as acetate ester  . It is also related to or classified as benzoate ester , oxacycle , organic heteropentacyclic compound .


The molecule <smiles>COc1c(CC=C(C)C)c(O)cc2OC[C@@H]3[C@@H](Oc4cc(O)ccc34)c12</smiles> <smiles>COc1c(CC=C(C)C)c(O)cc2OC[C@@H]3[C@@H](Oc4cc(O)ccc34)c12</smiles> is A member of the class of  pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 1 and a prenyl group at position 2. It has been isolated from  Glycyrrhiza uralensis. It has the role of plant metabolite . Its functional parent is (6aR,11aR)-pterocarpan .  It is also related to or classified as pterocarpans  . It is also related to or classified as polyphenol , aromatic ether .


The molecule <smiles>COc1cc2OC(CC(=O)c2c(O)c1Oc1ccc(cc1)-c1cc(=O)c2c(O)c(C)c(O)cc2o1)c1ccc(O)cc1</smiles> <smiles>COc1cc2OC(CC(=O)c2c(O)c1Oc1ccc(cc1)-c1cc(=O)c2c(O)c(C)c(O)cc2o1)c1ccc(O)cc1</smiles> is A biflavonoid isolated from  Cephalotaxus wilsoniana and has been shown to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as hydroxyflavone , methoxyflavone , biflavonoid .


The molecule <smiles>COc1cc(O)c(c(OC)c1CC=C(C)C)-c1coc2cc(O)ccc2c1=O</smiles> <smiles>COc1cc(O)c(c(OC)c1CC=C(C)C)-c1coc2cc(O)ccc2c1=O</smiles> is A  hydroxyisoflavone which is isoflavone substituted by hydroxy groups at positions 7 and 6', methoxy groups at positions 2' and 4' and a prenyl group at position 3'. It has been isolated from Glycyrrhiza uralensis. It has the role of antibacterial agent . It has the role of plant metabolite . Its functional parent is isoflavone . It is also related to or classified as 4'-methoxyisoflavones  . It is also related to or classified as hydroxyisoflavone .


The molecule <smiles>COc1cc2oc(cc(=O)c2c(O)c1C)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1</smiles> <smiles>COc1cc2oc(cc(=O)c2c(O)c1C)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1</smiles> is A  biflavonoid that is a dimer resulting from the coupling of 7,4'-dimethoxy-5-hydroxy-6-methylflavone and 5,7,4'-trihydroxyflavone resulting in a bond between C-3' of the methoxyphenyl ring and C-8 of the chromene ring respectively. Isolated from Cephalotaxus wilsoniana, it exhibits cytotoxic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as hydroxyflavone , methoxyflavone , biflavonoid , biaryl .


The molecule <smiles>CC1(C)Oc2c(O)cc(cc2C=C1)-c1coc2cc(O)cc(O)c2c1=O</smiles> <smiles>CC1(C)Oc2c(O)cc(cc2C=C1)-c1coc2cc(O)cc(O)c2c1=O</smiles> is A member of the class of 7-hydroxyisoflavones that is 2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one substituted by hydroxy groups at positions 5, 7 and 8'. It has been isolated from Glycyrrhiza uralensis. It has the role of EC 1.1.1.21 (aldehyde reductase) inhibitor . It has the role of plant metabolite . It is also related to or classified as 7-hydroxyisoflavones  .


The molecule <smiles>[H][C@@]12CC(=O)O[C@@H](C)CCCC[C@@]1([H])C(=O)C=C[C@@H]2O</smiles> <smiles>[H][C@@]12CC(=O)O[C@@H](C)CCCC[C@@]1([H])C(=O)C=C[C@@H]2O</smiles> is A macrocyclic lactone isolated from the fermentation broth of the fungal culture Penicillium verrucosum and has been shown to exhibit inhibitory activity against bacterial DNA primase enzyme. It has the role of EC 2.7.7.6 (RNA polymerase) inhibitor . It has the role of Penicillium metabolite . It is also related to or classified as enone  . It is also related to or classified as macrocyclic lactone .


The molecule <smiles>CC1(C)CCc2c(O)ccc(C3COc4cc(O)cc(O)c4C3=O)c2O1</smiles> <smiles>CC1(C)CCc2c(O)ccc(C3COc4cc(O)cc(O)c4C3=O)c2O1</smiles> is A member of the class of  7-hydroxyisoflavones that consists of 2,3,3',4'-tetrahydro-2'H,4H-3,8'-bichromen-4-one substituted by hydroxy groups at positions 5, 5' and 7 and methyl groups at positions 2' and 2'. It has been isolated from Glycyrrhiza uralensis. It has the role of plant metabolite . It is also related to or classified as 7-hydroxyisoflavones  .


The molecule <smiles>[H][C@]12Cc3c(Cl)c4cc(C(C)CC)n(N)c(=O)c4c(O)c3-c3c(O)c4C(=O)[C@@]5([H])[C@@H](O)C=C[C@@H](OC)[C@@]5([H])Oc4c(OCO1)c23</smiles> <smiles>[H][C@]12Cc3c(Cl)c4cc(C(C)CC)n(N)c(=O)c4c(O)c3-c3c(O)c4C(=O)[C@@]5([H])[C@@H](O)C=C[C@@H](OC)[C@@]5([H])Oc4c(OCO1)c23</smiles> is an organic heteroheptacyclic compound isolated from the fermentation culture broth of Actinoplanes sp. It is a broad-spectrum antifungal agent. It has the role of metabolite . It has the role of antifungal agent . It is also related to or classified as hydrazines  . It is also related to or classified as lactam  . It is also related to or classified as ether  . It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heteroheptacyclic compound , cyclic acetal .


The molecule <smiles>CC(C)=CCc1c(O)ccc(C2COc3cc(O)cc(O)c3C2=O)c1O</smiles> <smiles>CC(C)=CCc1c(O)ccc(C2COc3cc(O)cc(O)c3C2=O)c1O</smiles> is A member of the class of 7-hydroxyisoflavones that is the 2,3-dihydro derivative of licoisoflavone A. It has been isolated from Glycyrrhiza uralensis. It has the role of antibacterial agent . It has the role of plant metabolite . Its functional parent is licoisoflavone A . It is also related to or classified as 7-hydroxyisoflavones  .


The molecule <smiles>[H][C@@]12CC(C)(C)[C@@]1([H])CC\C(C)=C/C(=O)[C@@H](O)[C@H]2CO</smiles> <smiles>[H][C@@]12CC(C)(C)[C@@]1([H])CC\C(C)=C/C(=O)[C@@H](O)[C@H]2CO</smiles> is A sesquiterpenoid based on the caryophyllene ring system. Isolated from the fungal fermentation broth of Chrysosporium pilosum, it exhibits antifungal activity. It has the role of metabolite . It has the role of antifungal agent . It is also related to or classified as primary alcohol  . It is also related to or classified as secondary alpha-hydroxy ketone  .   It is also related to or classified as enone  . It is also related to or classified as secondary alcohol  . It is also related to or classified as sesquiterpenoid , carbobicyclic compound .


The molecule <smiles>COc1c2CCC(C)(C)Oc2cc2OC[C@@H]3[C@@H](Oc4cc(O)c(CCC(C)(C)O)cc34)c12</smiles> <smiles>COc1c2CCC(C)(C)Oc2cc2OC[C@@H]3[C@@H](Oc4cc(O)c(CCC(C)(C)O)cc34)c12</smiles> is A member of the class of pterocarpan that is a cis-pterocarpan substituted by a hydroxy group at position 9, a 3-hydroxy-3-methylbutyl group at position 8, a methoxy group at position 1 and a dimethylpyran ring fused across positions 2 and 3. It has been isolated from Glycyrrhiza uralensis. It has the role of plant metabolite . It is also related to or classified as pterocarpans  . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether .


The molecule <smiles>COC(=O)[C@](C)(O)C[C@H]1NC(=O)\C(=C(/O)[C@@H]2[C@@H](C=C[C@@H]3C[C@H](C)C[C@H](C)[C@@H]23)C(\C)=C\C)C1=O</smiles> <smiles>COC(=O)[C@](C)(O)C[C@H]1NC(=O)\C(=C(/O)[C@@H]2[C@@H](C=C[C@@H]3C[C@H](C)C[C@H](C)[C@@H]23)C(\C)=C\C)C1=O</smiles> is A pyrrolidinone derivative that is the methyl ester of sch 210972. Isolated from fungal fermentation broth of Chaetomium globosum, it exhibits inhibitory activity against chemokine receptor CCR-5. It has the role of chemokine receptor 5 antagonist . It has the role of Chaetomium metabolite . Its functional parent is sch 210972 .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as carboxylic ester  . It is also related to or classified as enol  . It is also related to or classified as pyrrolidin-2-ones  . It is also related to or classified as octahydronaphthalenes , carbobicyclic compound .


The molecule <smiles>COc1c(CC=C(C)C)c(O)cc2OC[C@H](Cc12)c1ccc(O)cc1O</smiles> <smiles>COc1c(CC=C(C)C)c(O)cc2OC[C@H](Cc12)c1ccc(O)cc1O</smiles> is A methoxyisoflavan that is (R)-isoflavan substituted by a methoxy group at position 5, hydroxy groups at positions 7, 2' and 4' and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis. It has the role of EC 1.14.18.1 (tyrosinase) inhibitor . It has the role of plant metabolite . It is also related to or classified as hydroxyisoflavans , methoxyisoflavan .


The molecule <smiles>C\C=C\CCCCC(=O)C(C)C(=O)N1CCC[C@@H]1CO</smiles> <smiles>C\C=C\CCCCC(=O)C(C)C(=O)N1CCC[C@@H]1CO</smiles> is A pyrrolidine alkaloid that is a monocarboxylic acid amide obtained by the formal condensation of (8E)-2-methyl-3-oxodec-8-enoic acid with (2R)-pyrrolidin-2-ylmethanol. Isolated from the the cultured broth of the fungus Penicillium citrinum, it exhibits anti-fungal and antibacterial activity. It has the role of antibacterial agent . It has the role of antifungal agent . It has the role of Penicillium metabolite . It is also related to or classified as primary alcohol  .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as pyrrolidine alkaloid .


The molecule <smiles>COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1</smiles> <smiles>COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1</smiles> is A member of the class of  hydroxyisoflavans that is isoflavan substituted by hydroxy groups at positions 7 and 2' and a methoxy group at position 4'. Isolated from Glycyrrhiza uralensis, it exhibits anti-inflammatory activity. It has the role of phytoalexin . It has the role of anti-inflammatory agent . It has the role of plant metabolite . It is also related to or classified as aromatic ether , hydroxyisoflavans , methoxyisoflavan .


The molecule <smiles>[H][C@@]12Cc3ccc(OC)c(O)c3-c3c(OC)c(O)cc(C(=O)C[N+]1(C)C)c23</smiles> <smiles>[H][C@@]12Cc3ccc(OC)c(O)c3-c3c(OC)c(O)cc(C(=O)C[N+]1(C)C)c23</smiles> is Saxicolaline A. It has the role of metabolite . It is also related to or classified as aporphine alkaloid .


The molecule <smiles>COc1c(CC=C(C)C)c(O)cc2oc(=O)c(cc12)-c1ccc(O)cc1O</smiles> <smiles>COc1c(CC=C(C)C)c(O)cc2oc(=O)c(cc12)-c1ccc(O)cc1O</smiles> is A member of the class of  coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 5, a prenyl group at position 6 and a 2,4-dihydroxyphenyl group at position 3.  Isolated from Glycyrrhiza uralensis, it exhibits antispasmodic activity. It has the role of antispasmodic drug . It has the role of plant metabolite . It is also related to or classified as coumarins , resorcinols , aromatic ether .


The molecule <smiles>[H][C@@]12C[C@@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])[C@@](C)(O)CC(C)C(C)C(C)C</smiles> <smiles>[H][C@@]12C[C@@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])[C@@](C)(O)CC(C)C(C)C(C)C</smiles> is A 3beta-hydroxy steroid consisting of 23,24-dimethylcholest-16-ene substituted by hydroxy groups at positions 3, 5, 6 and 20 (the 3beta,5alpha,6beta,20S stereoisomer). Isolated from the soft coral Sarcophyton trocheliophorum, it exhibits cytotoxic activity against human cancer cells. It has the role of antineoplastic agent . It has the role of coral metabolite . It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as 6beta-hydroxy steroid , 20-hydroxy steroid , 5alpha-hydroxy steroid .


The molecule <smiles>COc1cc2oc(=O)c(cc2c(OC)c1CC=C(C)C)-c1ccc(O)cc1O</smiles> <smiles>COc1cc2oc(=O)c(cc2c(OC)c1CC=C(C)C)-c1ccc(O)cc1O</smiles> is A member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5 and 7, a prenyl group at position 6 and a 2,4-dihydroxyphenyl group at position 3. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. It has the role of metabolite . It has the role of antibacterial agent . It has the role of plant metabolite . It is also related to or classified as coumarins , aromatic ether , hydroxyisoflavans .


The molecule <smiles>CC[C@H](C)C1=C(O)[N+]2([O-])Oc3ccc(cc3O[C@]2([C@@H](C)CC)C(=O)N1OC)-c1c(O)c(O)c(-c2ccc(O)cc2)c(OC(C)=O)c1OC(C)=O</smiles> <smiles>CC[C@H](C)C1=C(O)[N+]2([O-])Oc3ccc(cc3O[C@]2([C@@H](C)CC)C(=O)N1OC)-c1c(O)c(O)c(-c2ccc(O)cc2)c(OC(C)=O)c1OC(C)=O</smiles> is Sarcodonin-delta. It has the role of metabolite . It is also related to or classified as biphenyls .


The molecule <smiles>CC(C)=CCc1cc(c(O)cc1O)-c1coc2cc(O)cc(O)c2c1=O</smiles> <smiles>CC(C)=CCc1cc(c(O)cc1O)-c1coc2cc(O)cc(O)c2c1=O</smiles> is A  hydroxyisoflavone that is isoflavanone substituted by hydroxy groups at positions 5, 7, 2' and 4' and a prenyl group at position 5. It has been isolated from Glycyrrhiza uralensis. It has the role of plant metabolite . It is also related to or classified as hydroxyisoflavone .


The molecule <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](CO[C@@]2([H])O[C@H]2CC[C@]3(C)C4=C(CC[C@@]3([H])C2(C)C)[C@]2([H])CC[C@]([H])([C@H](C)CC(=O)CC(C)(C)O)[C@@]2(C)CC4)O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O</smiles> <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](CO[C@@]2([H])O[C@H]2CC[C@]3(C)C4=C(CC[C@@]3([H])C2(C)C)[C@]2([H])CC[C@]([H])([C@H](C)CC(=O)CC(C)(C)O)[C@@]2(C)CC4)O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O</smiles> is A triterpenoid saponin isolated from the sponge Melophlus sarasinorum and has been shown to exhibit antimicrobial activity. It has the role of antimicrobial agent . It has the role of marine metabolite . It is also related to or classified as tetracyclic triterpenoid , amino pentasaccharide , triterpenoid saponin .


The molecule <smiles>COc1cc2OC[C@H](Cc2c(OC)c1CC=C(C)C)c1ccc(O)cc1O</smiles> <smiles>COc1cc2OC[C@H](Cc2c(OC)c1CC=C(C)C)c1ccc(O)cc1O</smiles> is A member of the class of  hydroxyisoflavans that is  (R)-isoflavan substituted by hydroxy groups at positions 2' and 4', methoxy groups at positions 5 and 7 and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis. It has the role of plant metabolite . It is also related to or classified as aromatic ether , hydroxyisoflavans , methoxyisoflavan .


The molecule <smiles>COc1cc(O)ccc1C(=O)\C=C\c1ccc(O)c(O)c1</smiles> <smiles>COc1cc(O)ccc1C(=O)\C=C\c1ccc(O)c(O)c1</smiles> is A member of the class of chalcones that consists of trans-chalcone substituted by hydroxy groups at positions 3, 4 and 4' and a methoxy group at position 2'. Isolated from Caesalpinia sappan, it exhibits neuroprotective and cytoprotective activity. It has the role of antioxidant . It has the role of metabolite . It has the role of anti-allergic agent . It has the role of anti-inflammatory agent . Its functional parent is trans-chalcone . It is also related to or classified as chalcones  .  It is also related to or classified as catechols  . It is also related to or classified as monomethoxybenzene .


The molecule <smiles>COc1cc2OC[C@H](Cc2c(OC)c1CC=C(C)C)c1ccc(O)c(CC=C(C)C)c1O</smiles> <smiles>COc1cc2OC[C@H](Cc2c(OC)c1CC=C(C)C)c1ccc(O)c(CC=C(C)C)c1O</smiles> is A member of the class of  hydroxyisoflavans that is the 7-O-methyl derivative of licoricidin. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. It has the role of antibacterial agent . It has the role of plant metabolite . Its functional parent is licoricidin . It is also related to or classified as aromatic ether , hydroxyisoflavans , methoxyisoflavan .


The molecule <smiles>COC(=O)C(Cc1ccccc1)NC(=O)CC(C)(O)CC(=O)O[C@H]1[C@H](O)C[C@@]2(C)[C@@H](CCC3=C2C[C@H](O)[C@]2(C)[C@H](CC[C@@]32C)[C@H]2CC[C@@H](O[C@@H]2O)C(C)(C)O)C1(C)C</smiles> <smiles>COC(=O)C(Cc1ccccc1)NC(=O)CC(C)(O)CC(=O)O[C@H]1[C@H](O)C[C@@]2(C)[C@@H](CCC3=C2C[C@H](O)[C@]2(C)[C@H](CC[C@@]32C)[C@H]2CC[C@@H](O[C@@H]2O)C(C)(C)O)C1(C)C</smiles> is A  tetracyclic triterpenoid isolated from Tricholoma saponaceum. It has the role of plant metabolite . It is also related to or classified as secondary carboxamide  . It is also related to or classified as methyl ester  .   It is also related to or classified as triterpenoid  . It is also related to or classified as tetracyclic triterpenoid , tetrol .


The molecule <smiles>COc1c(CC=C(C)C)c(O)cc2OC[C@H](Cc12)c1ccc(O)c(CC=C(C)C)c1O</smiles> <smiles>COc1c(CC=C(C)C)c(O)cc2OC[C@H](Cc12)c1ccc(O)c(CC=C(C)C)c1O</smiles> is A member of the class of hydroxyisoflavans that is R-isoflavan with hydroxy groups at positions 7, 2' and 4', a methoxy group at position 5 and prenyl groups at positions 6 and 3'. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. It has the role of antibacterial agent . It has the role of plant metabolite . It is also related to or classified as aromatic ether , hydroxyisoflavans , methoxyisoflavan .


The molecule <smiles>[H][C@]1(O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]([H])(CC[C@]4(C)C3=CC[C@@]2([H])C1(C)C)[C@]1([H])C[C@H](O[C@H]1OC)C=C(C)C</smiles> <smiles>[H][C@]1(O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]([H])(CC[C@]4(C)C3=CC[C@@]2([H])C1(C)C)[C@]1([H])C[C@H](O[C@H]1OC)C=C(C)C</smiles> is A triterpenoid saponin isolated from Sapindus mukorossi and has been shown to exhibit inhibitory activity against platelet aggregation. It has the role of platelet aggregation inhibitor . It has the role of plant metabolite . It is also related to or classified as oxolanes , triterpenoid saponin , trisaccharide derivative , tirucallane triterpenoid .


The molecule <smiles>COP(=O)(OC)C(O)C(Cl)(Cl)Cl</smiles> <smiles>COP(=O)(OC)C(O)C(Cl)(Cl)Cl</smiles> is A phosphonic ester that is dimethyl phosphonate in which the hydrogen atom attched to the phosphorous is substituted by a 2,2,2-trichloro-1-hydroxyethyl group. It has the role of insecticide . It has the role of agrochemical . It has the role of anthelminthic drug . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It is also related to or classified as organochlorine compound  . It is also related to or classified as organic phosphonate , phosphonic ester .


The molecule <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]([H])(CC[C@]4(C)C3=CC[C@@]2([H])C1(C)C)[C@]1([H])C[C@H](O[C@H]1OC)C=C(C)C</smiles> <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]([H])(CC[C@]4(C)C3=CC[C@@]2([H])C1(C)C)[C@]1([H])C[C@H](O[C@H]1OC)C=C(C)C</smiles> is A triterpenoid saponin isolated from  Sapindus mukorossi and has been shown to exhibit inhibitory activity against platelet aggregation. It has the role of platelet aggregation inhibitor . It has the role of plant metabolite . It is also related to or classified as oxolanes , triterpenoid saponin , disaccharide derivative , tirucallane triterpenoid .


The molecule <smiles>COC(=O)C(=C)[C@@H]1CC2=C(C)C(=O)O[C@@]2(O)C[C@@]1(C)C=C</smiles> <smiles>COC(=O)C(=C)[C@@H]1CC2=C(C)C(=O)O[C@@]2(O)C[C@@]1(C)C=C</smiles> is sericealactone, (rel)-. It has the role of metabolite . It is also related to or classified as terpene lactone .


The molecule <smiles>[H][C@@]12O[C@@]1(C)C[C@@H](O)[C@H](O)\C(C)=C/C[C@@H](C(C)C)[C@H]2O</smiles> <smiles>[H][C@@]12O[C@@]1(C)C[C@@H](O)[C@H](O)\C(C)=C/C[C@@H](C(C)C)[C@H]2O</smiles> is A germacrane sesquiterpenoid that is 4,5-epoxygermacra-9Z-ene substituted by hydroxy groups at positions 1, 2 and 6. Isolated from Santolina insularis, it exhibits cytotoxicity against human colon carcinoma cell line. It has the role of metabolite . It has the role of antineoplastic agent .  It is also related to or classified as epoxide  . It is also related to or classified as triol , germacrane sesquiterpenoid .


The molecule <smiles>[H][C@]1(CC2=C(C)C(=O)OC2=C[C@@]1(C)C=C)C(=C)C(=O)OC</smiles> <smiles>[H][C@]1(CC2=C(C)C(=O)OC2=C[C@@]1(C)C=C)C(=C)C(=O)OC</smiles> is hiiranlactone C. It has the role of metabolite . It is also related to or classified as benzofurans .


The molecule <smiles>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is the sophoroside derivative of 4-nitrophenol. It is also related to or classified as sophoroside  .  It is also related to or classified as glycoside  . It is also related to or classified as C-nitro compound .


The molecule <smiles>CC[C@H](C)/C=C/C1=CC2=C(C(=O)[C@@]3([C@H](C2=CO1)[C@@H](C(=O)O3)C(=O)[C@@H](C)[C@H](C)O)C)Cl</smiles> is an azaphilone that is 9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a 3-hydroxy-2-methylbutanoyl group at position 9, a methyl group at position 6a and a 3-methylpent-1-en-1yl group at position 3. It has been isolated from Chaetomium globosum. It has a role as a Chaetomium metabolite. It is a beta-hydroxy ketone, a gamma-lactone, an azaphilone, an enone, an organic heterotricyclic compound, an organochlorine compound and a secondary alcohol.


The molecule <smiles>CC(C)([C@@H](O)C([O-])=O)C([O-])=O</smiles> <smiles>CC(C)([C@@H](O)C([O-])=O)C([O-])=O</smiles> is dicarboxylate anion of (R)-3,3-dimethylmalic acid. It is also related to or classified as dicarboxylic acid dianion  .


The molecule <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4</smiles> <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4</smiles> is N-[(3S,9S,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>COCC(=O)NC[C@@H]1[C@H]([C@H](N1C(=O)C2=CC=CC=C2)CO)C3=CC=CC=C3</smiles> <smiles>COCC(=O)NC[C@@H]1[C@H]([C@H](N1C(=O)C2=CC=CC=C2)CO)C3=CC=CC=C3</smiles> is N-[[(2S,3R,4S)-1-benzoyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-methoxyacetamide. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O</smiles> is d-Glucopyranose with beta configuration at the anomeric centre. It has a role as an epitope and a mouse metabolite. It is an enantiomer of a beta-L-glucose.


The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A branched amino tetrasaccharide comprising N-acetyl-beta-D-glucosamine at the reducing end with a alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl moiety attached at the 4-position. It is also related to or classified as alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-D-GlcNAc  .


The molecule <smiles>O=C(O[C@H]1[C@@H](O)[C@@H]2C=C[C@H]([C@@H](CC)C)[C@@]([C@H]2[C@@H](C1)C)(C(=O)CCO)C)/C=C(/CC(=O)OCCC(=O)[C@@]3([C@@H]4[C@@H](C=C[C@@H]3[C@@H](CC)C)[C@H](O)[C@H](OC(=O)/C=C(/CC(=O)OC)\C)C[C@H]4C)C)\C</smiles> <smiles>O=C(O[C@H]1[C@@H](O)[C@@H]2C=C[C@H]([C@@H](CC)C)[C@@]([C@H]2[C@@H](C1)C)(C(=O)CCO)C)/C=C(/CC(=O)OCCC(=O)[C@@]3([C@@H]4[C@@H](C=C[C@@H]3[C@@H](CC)C)[C@H](O)[C@H](OC(=O)/C=C(/CC(=O)OC)\C)C[C@H]4C)C)\C</smiles> is Tandyukisin F. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .


The molecule <smiles>C=1(C=CC(=CC1Cl)Cl)\C(\OCCOC2=CC=C(C=C2)Cl)=C(\N3C=CN=C3)/C.[N+](O)(=O)[O-]</smiles> <smiles>C=1(C=CC(=CC1Cl)Cl)\C(\OCCOC2=CC=C(C=C2)Cl)=C(\N3C=CN=C3)/C.[N+](O)(=O)[O-]</smiles> is Omoconazole nitrate. It is also related to or classified as organic nitrate salt , imidazole antifungal drug , conazole antifungal drug .


The molecule <smiles>C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F</smiles> <smiles>C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F</smiles> is N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C=C(\\C)/CC/C=C(\\C)/CO)/C)/C)/C)C</smiles> is a carotenol that is carotenol psi,psi-carotene substituted by a hydroxy group. It derives from a hydride of a lycopene.


The molecule <smiles>[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])C1=CCc1cc(O)ccc21</smiles> <smiles>[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])C1=CCc1cc(O)ccc21</smiles> is equilin. It is also related to or classified as 17-oxo steroid  . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)[O-]</smiles> is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 4-aminoazobenzene-3,4'-disulfonic acid. It is a conjugate base of a 4-aminoazobenzene-3,4'-disulfonic acid.


The molecule <smiles>FC(F)(F)C1=NC=CC=C1C(=O)NC1CCC1C1=C(Cl)C=C(Cl)C=C1</smiles> <smiles>FC(F)(F)C1=NC=CC=C1C(=O)NC1CCC1C1=C(Cl)C=C(Cl)C=C1</smiles> is A member of the class of cyclobutanes that is cyclobutane substituted by [2-(trifluoromethyl)pyridine-3-carbonyl]amino and 2,4-dichlorophenyl groups at positions 1 and 2, respectively. It is also related to or classified as secondary carboxamide  .  It is also related to or classified as dichlorobenzene  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as cyclobutanes , pyridinecarboxamide .


The molecule <smiles>COC1=CC2=C(C=C1)C=C(C=C2)CC(=O)O</smiles> is a monocarboxylic acid consisting of 2-naphthylacetic acid having a methoxy substituent at the 6-position. The active metabolite of the prodrug nabumetone. It has a role as an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, a drug metabolite and a xenobiotic metabolite. It is a monocarboxylic acid and a methoxynaphthalene. It derives from a 2-naphthylacetic acid.


The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A branched amino tetrasaccharide comprising N-acetyl-alpha-D-galactosamine at the reducing end with an alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl moiety attached at the 3-position. It is also related to or classified as alpha-D-Galp-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-D-GalpNAc  .


The molecule <smiles>CO[C@@H]1C[C@@H]2[N@]3CC[C@]2(C=C1)c1cc(O)c(OC)c(OC)c1C3</smiles> <smiles>CO[C@@H]1C[C@@H]2[N@]3CC[C@]2(C=C1)c1cc(O)c(OC)c(OC)c1C3</smiles> is an isoquinoline alkaloid that is 3,4,4a,5,6,10b-hexahydro-5,10b-ethanophenanthridin-9-ol bearing three additional methoxy substituents at positions 3, 7 and 8. It has the role of plant metabolite .  It is also related to or classified as phenols  . It is also related to or classified as isoquinoline alkaloid , aromatic ether , organic heterotetracyclic compound .


The molecule <smiles>C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)O)O</smiles> is a nucleotide-sugar oxoanion resulting from the removal of two protons from the diphosphate group of UDP-beta-L-arabinofuranose. It is a conjugate base of an UDP-beta-L-arabinofuranose.


The molecule <smiles>C(CS(=O)(=O)O)S</smiles> is an organosulfonic acid consisting of sulfonic acid having a 2-mercaptoethyl group attached to sulfur. It has a role as a coenzyme. It is an organosulfonic acid and a thiol. It is a conjugate acid of a coenzyme M(1-).


The molecule <smiles>C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C</smiles> <smiles>C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C</smiles> is N-[(5S,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)O[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO)C(O)=O)[C@H](O)[C@H](O)CO</smiles> <smiles>[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)O[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO)C(O)=O)[C@H](O)[C@H](O)CO</smiles> is A branched amino tetrasaccharide consisting of the linear sequence beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-D-Glc having a Neu5Ac residue attached to the galactose via an alpha-(2->3) linkage. It is also related to or classified as galactosamine oligosaccharide , amino tetrasaccharide .


The molecule <smiles>C(C(CN=C(N)N)O)C(C(=O)O)N</smiles> is a hydroxyarginine in which the hydroxy group is located at position 4. It is a hydroxyarginine, a secondary alcohol, a non-proteinogenic alpha-amino acid and a member of guanidines.


The molecule <smiles>C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)O</smiles> is a 2',3'-cyclic pyrimidine nucleotide in which uridine is the parent nucleoside. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 2',3'-cyclic UMP(1-).


The molecule <smiles>C1=NNC2=C1C(=O)NC=N2</smiles> is a bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring. It has a role as a radical scavenger, a gout suppressant, an antimetabolite and an EC 1.17.3.2 (xanthine oxidase) inhibitor. It is an organic heterobicyclic compound and a nucleobase analogue. It derives from a hydride of a 1H-pyrazolo[4,3-d]pyrimidine.


The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A branched derivative heptasaccharide consisting of the tetrasaccharide derivative beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucose where the galactosyl residue at the non-reducing end has alpha-L-fucosyl and N-acetyl-alpha-D-galactosaminyl residues attached at the 2- and 3-positions respectively and the glucosaminyl residue has an alpha-L-fucosyl residue attached at the 3-position. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , heptasaccharide derivative .


The molecule <smiles>C1=CC=C2C(=C1)C(=C[N]2)CC(C(=O)O)N</smiles> is an alpha-amino-acid radical derived from tryptophan. It derives from a tryptophan. It is a conjugate base of a tryptophanyl radical cation.


The molecule <smiles>C1CCC(C1)CC#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)CC5=CC=CC=N5</smiles> <smiles>C1CCC(C1)CC#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)CC5=CC=CC=N5</smiles> is (6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>CCCNC(=O)N(C[C@@H]1[C@H]([C@H](N1)CO)C2=CC=CC=C2)CC3=CN=CC=C3</smiles> <smiles>CCCNC(=O)N(C[C@@H]1[C@H]([C@H](N1)CO)C2=CC=CC=C2)CC3=CN=CC=C3</smiles> is 1-[[(2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-propyl-1-(3-pyridinylmethyl)urea. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>C[C@H]1[C@H](O1)P(=O)(O)[O-]</smiles> is an organophosphonate oxoanion obtained by deprotonation of one of the two phosphonate OH groups of (1R,2S)-epoxypropylphosphonic acid; major species at pH 7.3. It has a role as an antimicrobial agent. It is a conjugate base of a fosfomycin. It is a conjugate acid of a (1R,2S)-epoxypropylphosphonate(2-).


The molecule <smiles>O1[C@@H](O[C@@H]2[C@@H](NC(=O)C)C(O[C@@H]([C@@H]2O)CO)O)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](O)[C@@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]1CO</smiles> <smiles>O1[C@@H](O[C@@H]2[C@@H](NC(=O)C)C(O[C@@H]([C@@H]2O)CO)O)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](O)[C@@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]1CO</smiles> is an amino tetrasaccharide that is alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-D-GalpNAc in which the hydroxy group at position 4 of the beta-D-galactopyranosyl moiety has been glycosylated by an alpha-D-galactopyranosyl group. Its functional parent is alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-D-GalpNAc . It is also related to or classified as acetamides , amino tetrasaccharide .


The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A branched heptasaccharide derivative consisting of the tetrasaccharide derivative beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucose where the galactosyl residue at the non-reducing end has alpha-L-fucosyl and N-acetyl-alpha-D-galactosaminyl residues attached at the 2- and 3-positions respectively and the glucosaminyl residue has an alpha-L-fucosyl residue attached at the 4-position. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , heptasaccharide derivative .


The molecule <smiles>C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC3=CN=CC=C3</smiles> <smiles>C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC3=CN=CC=C3</smiles> is N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCC/C=C\\CCCCCCCC)O</smiles> is an N-icosenoylsphingosine in which the double bond is located at position 11 (the Z-geoisomer). It derives from an (11Z)-icos-11-enoic acid.


The molecule <smiles>CCCCCCC(CO)CCCC</smiles> <smiles>CCCCCCC(CO)CCCC</smiles> is A primary alcohol that is 1-octanol substituted by a butyl group at position 2. Metabolite observed in cancer metabolism. It has the role of human metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as medium-chain fatty alcohol , alkyl alcohol .


The molecule <smiles>[NH3+]CC[C@H](O)C(=O)N[C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]1O</smiles> <smiles>[NH3+]CC[C@H](O)C(=O)N[C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]1O</smiles> is an organic cation obtained by protonation of the four free amino groups of amikacin; major species at pH 7.3. It is a conjugate acid of amikacin . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>OC[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O</smiles> <smiles>OC[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O</smiles> is A UDP-D-galactose(2-) in which the anomeric centre of the galactose moiety has alpha-configuration. It is also related to or classified as UDP-monosaccharide(2-)  . It is also related to or classified as UDP-D-galactose(2-)  .


The molecule <smiles>C([C@@H]1[C@H]([C@H](C(O1)O)OP(=O)(O)O)O)OP(=O)(O)O</smiles> is a ribose bisphosphate that consists of D-ribose having two monophosphate groups at the 2- and 5-positions. It derives from a D-ribose. It is a conjugate acid of a D-ribofuranose-2,5-bisphosphate(4-).


The molecule <smiles>[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](C[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O</smiles> <smiles>[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](C[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O</smiles> is A steroid glucosiduronic acid comprising 11alpha-hydroxyprogesterone having a beta-Dglucosiduronic acid residue attached to the 11-hydroxy group via a glycosidic linkage. Its functional parent is 11alpha-hydroxyprogesterone . It is also related to or classified as steroid glucosiduronic acid .


The molecule <smiles>C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1[NH3+])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C[NH3+])O)O)[NH3+])O)O)[NH3+]</smiles> is an organic cation obtained by protonation of the four free amino groups of neamine; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a neamine.


The molecule <smiles>CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C</smiles> <smiles>CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C</smiles> is A carotenol that exhibits antioxidant activity. It has been isolated from fruits such as papaya and oranges. It has the role of antioxidant . It has the role of biomarker . It has the role of provitamin A . It has the role of plant metabolite . It is also related to or classified as carotenol .


The molecule <smiles>C#[N+][O-]</smiles> is a nitrile oxide resulting from the oxidation of hydrogen cyanide. It is a hydracid, a nitrile oxide and a one-carbon compound. It is a conjugate acid of a fulminate.


The molecule <smiles>COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]</smiles> is a C-nitro compound that is 4-nitrophenol substituted by a (dimethoxyphosphorothioyl)oxy group at position 4. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an acaricide, an agrochemical, a genotoxin, an environmental contaminant and an antifungal agent. It is an organic thiophosphate, an organothiophosphate insecticide and a C-nitro compound. It derives from a 4-nitrophenol.


The molecule <smiles>C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC4=C(C=C3)OCO4</smiles> <smiles>C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC4=C(C=C3)OCO4</smiles> is N-[(5S,6R,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C[C@H](CCCCCCCCCCCCC/C=C/C(=O)O)O</smiles> is an (omega-1)-hydroxy fatty acid that is (2E)-octadec-2-enoic acid in which the 17-pro-R hydrogen is replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid, a long-chain fatty acid, an alpha,beta-unsaturated monocarboxylic acid and a hydroxy monounsaturated fatty acid. It derives from a trans-octadec-2-enoic acid.


The molecule <smiles>CC(=O)OCC[N+](C)(C)C</smiles> <smiles>CC(=O)OCC[N+](C)(C)C</smiles> is actylcholine is an ester of acetic acid and choline, which acts as a neurotransmitter. It has the role of hormone . It has the role of neurotransmitter . It has the role of vasodilator agent . It has the role of muscarinic agonist . It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as acylcholine  . It is also related to or classified as acetate ester  .


The molecule <smiles>C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)O)C(=O)O)CSC4=NN=NN4CS(=O)(=O)O</smiles> is a cephalosporin bearing {[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl and (R)-2-hydroxy-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It has a role as an antibacterial drug. It is a conjugate acid of a cefonicid(2-).


The molecule <smiles>C1[C@@H](NC(=[NH+][C@H]1O)N)[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H](CCC[NH3+])[NH3+]</smiles> is viomycin protonated to pH 7.3 It has a role as an antitubercular agent. It is a conjugate acid of a viomycin.


The molecule <smiles>CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)C(=O)C3=NC=CN=C3)C)OC)C</smiles> <smiles>CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)C(=O)C3=NC=CN=C3)C)OC)C</smiles> is N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CSCCCCCC(=NO)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O</smiles> is an omega-(methylsulfany)alkyl desulfoglucosinolate in which the omega-(methylsulfany)alkyl group is specified as 5-(methylsulfanyl)pentyl. It has a role as an Arabidopsis thaliana metabolite.


The molecule <smiles>COCC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)C4CCCCC4</smiles> <smiles>COCC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)C4CCCCC4</smiles> is (6S,7R,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .


The molecule <smiles>C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C</smiles> <smiles>C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C</smiles> is N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C[C@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C</smiles> is the most used of the bafilomycins, a family of toxic macrolide antibiotics derived from Streptomyces griseus. It has a role as a toxin, a fungicide, an EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor, an EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor, a bacterial metabolite, a potassium ionophore, an autophagy inhibitor and an apoptosis inducer. It is a member of oxanes, a macrolide antibiotic and a cyclic hemiketal.


The molecule <smiles>C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)C)NC(=O)[C@H](CCO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)NC(=O)[C@H](CCO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)NC(=O)[C@H](CCO)O)O)O)O)NC(=O)[C@H](CCO)O</smiles> is an amino tetrasaccharide that consists of 4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-2-Me-alpha-D-Man residue at the non-reducing end coupled to three 4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-2-Me-alpha-D-Man in a linear sequence, connected by (11->2)-linkages. It derives from an alpha-D-mannose.


The molecule <smiles>S(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@@H]3[C@@H](NC(=O)C)C(O[C@@H]([C@@H]3O)CO)O)[C@H](O)[C@@H](O)[C@H]1O)(O)(=O)=O</smiles> <smiles>S(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@@H]3[C@@H](NC(=O)C)C(O[C@@H]([C@@H]3O)CO)O)[C@H](O)[C@@H](O)[C@H]1O)(O)(=O)=O</smiles> is an amino trisaccharide comprised of an 6-sulfated beta-D-galactopyranosyl residue, a 2-acetamido-beta-D-glucopyranosyl residue, and a 2-acetamido-D-galactopyranosyl reidue joined in sequence by (1->4) and (1->3) glycosidic linkages. It is also related to or classified as oligosaccharide sulfate , amino trisaccharide .


The molecule <smiles>C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CC4=COC=N4</smiles> <smiles>C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CC4=COC=N4</smiles> is 4-methoxy-N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-(4-oxazolylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CC\\1=N[C@H](S/C1=C\\COP(=O)([O-])[O-])C(=O)[O-]</smiles> is the organophosphate oxoanion that is the 2R,5Z isomer of 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3-); protonated to pH 7.3. It is a 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3-) and an organophosphate oxoanion. It is a conjugate base of a 2-[(2R,5Z)-2-carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate.


The molecule <smiles>COc1cc(ccc1O)S([O-])(=O)=O</smiles> <smiles>COc1cc(ccc1O)S([O-])(=O)=O</smiles> is an arenesulfonate oxoanion obtained by deprotonation of the sulfo group of 4-hydroxy-3-methoxybenzene-1-sulfonic acid. It is also related to or classified as arenesulfonate oxoanion .


The molecule <smiles>CC(=CCC/C(=C/CC/C(=C/C=C)/C)/C)C</smiles> is a sesquiterpene that is trideca 1,3,7,11-tetraene bearing three methyl substituents at poitions 4, 8 and 12 (the 3E,7E-geoisomer). It has a role as a metabolite.


The molecule <smiles>CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C</smiles> is a ginsenoside found in Panax ginseng and Panax japonicus var. major that is ginsenoside Rd in which the beta-D-glucopyranoside group at position 20 is replaced by a beta-D-glucopyranosyl-beta-D-glucopyranoside group. It has a role as a neuroprotective agent, an anti-obesity agent, an anti-inflammatory drug, an apoptosis inhibitor, a radical scavenger and a plant metabolite. It is a ginsenoside, a glycoside and a tetracyclic triterpenoid. It derives from a ginsenoside Rd.


The molecule <smiles>[H+].O.[Cl-].CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1</smiles> <smiles>[H+].O.[Cl-].CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1</smiles> is the hydrochloride monohydrate of bepridril. Its functional parent is bepridil . It is also related to or classified as hydrate , hydrochloride .


The molecule <smiles>[H]C(=C([H])c1oc2ccccc2[n+]1C)C([H])=C1C=CN(CCC[N+](C)(C)C)C=C1</smiles> <smiles>[H]C(=C([H])c1oc2ccccc2[n+]1C)C([H])=C1C=CN(CCC[N+](C)(C)C)C=C1</smiles> is an unsymmetrical C3 cyanine dye having 1,3-benzoxazol-2-yl and pyridinium-4-yl substituents at each end. It has the role of fluorochrome . It is also related to or classified as quaternary ammonium ion  . It is also related to or classified as cyanine dye , pyridinium ion , benzoxazolium ion .


The molecule <smiles>CCC(=O)OC1=C(N=CC=C1OC)C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@@H](C)C1=C(C)C=CC=C1</smiles> <smiles>CCC(=O)OC1=C(N=CC=C1OC)C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@@H](C)C1=C(C)C=CC=C1</smiles> is an ester resulting from the formal condensation of the hydroxy group of (2S,3S)-3-(2-methylphenyl)butan-2-yl N-(3-hydroxy-4-methoxypyridine-2-carbonyl)-L-alaninate with the carboxy group of propanoic acid. It is a fungicide from Corteva Agriscience. It has the role of antifungal agrochemical . It is also related to or classified as secondary carboxamide  .    It is also related to or classified as propanoate ester  . It is also related to or classified as diester  . It is also related to or classified as pyridinecarboxamide , toluenes , aromatic ether , L-alanine derivative .


The molecule <smiles>CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)[N+](C)(C)C</smiles> is an iminium ion that forms the cationic portion of the histological dye 'methyl green'. It is an iminium ion and a quaternary ammonium ion.