Summary

IMPPAT Phytochemical identifier: IMPHY006452

Phytochemical name: 4,4'-Dimethoxystilbene

Synonymous chemical names:
4,4'- dimethoxy-trans-stilbene, 4,4'-dimethoxy-trans-stilbene, 4,4'-dimethoxystilbene, 4-4'-dimethoxy-stilbene, photoanethole

External chemical identifiers:
CID:641296, ChEMBL:CHEMBL310102, ZINC:ZINC000000034683, SureChEMBL:SCHEMBL699457, MolPort-000-255-145

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Chemical structure information

SMILES:
COc1ccc(cc1)/C=C/c1ccc(cc1)OC

InChI:
InChI=1S/C16H16O2/c1-17-15-9-5-13(6-10-15)3-4-14-7-11-16(18-2)12-8-14/h3-12H,1-2H3/b4-3+

InChIKey:
CAWFCZIEFIQKRV-ONEGZZNKSA-N

DeepSMILES:
COcccccc6))/C=C/cccccc6))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: 0.028

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Chemical structure download