Summary

IMPPAT Phytochemical identifier: IMPHY004570

Phytochemical name: Pinosylvin methyl ether

Synonymous chemical names:
3-hydroxy-5-methoxystilbene, pinosylvin monomethyl ether

External chemical identifiers:
CID:5281719, ChEMBL:CHEMBL186366, ChEBI:8227, ZINC:ZINC000000899172, SureChEMBL:SCHEMBL1650247, MolPort-000-881-539

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Chemical structure information

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

InChI:
InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+

InChIKey:
JVIXPWIEOVZVJC-BQYQJAHWSA-N

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

Functional groups:
c/C=C/c, cO, 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: 0.533

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Chemical structure download