Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004009

Phytochemical name: Oxyresveratrol

Synonymous chemical names:
oxyresveratol, Oxyresveratrol, oxyresveratrol

External chemical identifiers:
CID:CID_5281717, ChEMBL:CHEMBL43065, ChEBI:CHEBI:7870, ZINC:ZINC000000899161, FDASRS:6V071CP5CR, SureChEMBL:SCHEMBL501690, MolPort-001-741-218

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)/C=C/c1cc(O)cc(c1)O

InChI:
InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+

InChIKey:
PDHAOJSHSJQANO-OWOJBTEDSA-N

DeepSMILES:
Occcccc6)O))/C=C/cccO)ccc6)O

Functional groups:
cO, c/C=C/c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
C1CCC(CCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Stilbenoids

NP Classifier Class: Monomeric stilbenes

NP-Likeness score: 1.006

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Chemical structure download