Summary

IMPPAT Phytochemical identifier: IMPHY012438

Phytochemical name: Dihydroresveratrol

Synonymous chemical names:
dihydroresveratrol

External chemical identifiers:
CID:185914, ChEMBL:CHEMBL111234, ChEBI:4582, ZINC:ZINC000000899123, FDASRS:CBY43AY0TT, SureChEMBL:SCHEMBL716856, MolPort-035-706-156

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Chemical structure information

SMILES:
Oc1ccc(cc1)CCc1cc(O)cc(c1)O

InChI:
InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2

InChIKey:
HITJFUSPLYBJPE-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))CCcccO)ccc6)O

Functional groups:
cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCc2ccccc2)cc1

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: 0.704

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Chemical structure download