Summary

SMILES: OC[C@H]1O[C@@H](Oc2c(/C=C/c3ccc(cc3)O)cc(cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChI: InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1
InChIKey: JAYVHSBYKLLDJC-DSNJPTTOSA-N
DeepSMILES: OC[C@H]O[C@@H]Occ/C=C/cccccc6))O)))))))cccc6O)))O))))))[C@@H][C@H][C@@H]6O))O))O
Scaffold Graph/Node/Bond level: C(=Cc1ccccc1OC1CCCCO1)c1ccccc1
Scaffold Graph/Node level: C1CCC(CCC2CCCCC2OC2CCCCO2)CC1
Scaffold Graph level: C1CCC(CCC2CCCCC2CC2CCCCC2)CC1
Functional groups: CO; c/C=C/c; cO; cO[C@@H](C)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketides
ClassyFire Class: Stilbenes
ClassyFire Subclass: Stilbene glycosides
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Stilbenoids
NP Classifier Class: Monomeric stilbenes

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Synonymous chemical names:
2,3,5,4'-tetrahydroxystilbene-2-o-beta-d-glucoside, 2,3,5,4'-tetrahydroxystilbene-2-o-β-d-glucoside, 2-3-4'-5-tetrahydroxystilbene

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External chemical identifiers:
CID:5321884; ChEMBL:CHEMBL460860; ChEBI:140850; ZINC:ZINC000006092613; FDASRS:54QRI6OKJ5; SureChEMBL:SCHEMBL2688101; MolPort-008-155-937

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Chemical structure download