Summary

IMPPAT Phytochemical identifier: IMPHY004979

Phytochemical name: 3,5-Dimethoxystilbene

Synonymous chemical names:
35-dimethoxystilbene

External chemical identifiers:
CID:5316874, ChEMBL:CHEMBL188181, ChEBI:173733, ZINC:ZINC000001676026, FDASRS:DWA4D52V24, SureChEMBL:SCHEMBL918726, MolPort-000-881-878

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Chemical structure information

SMILES:
COc1cc(/C=C/c2ccccc2)cc(c1)OC

InChI:
InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+

InChIKey:
BIYGTLDPTJMNET-CMDGGOBGSA-N

DeepSMILES:
COccc/C=C/cccccc6))))))))ccc6)OC

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

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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: 0.033

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Chemical structure download