Summary

IMPPAT Phytochemical identifier: IMPHY015312

Phytochemical name: 3,4-Dimethoxy cinnamaldehyde

Synonymous chemical names:
3,4-dimethoxycinnamaldehyde, 3­,4-dimethoxycinnamaldehyde

External chemical identifiers:
CID:5375268, ChEMBL:CHEMBL465888, ChEBI:86548, ZINC:ZINC000006018566, SureChEMBL:SCHEMBL563071, MolPort-008-753-424

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Chemical structure information

SMILES:
O=C/C=C/c1ccc(c(c1)OC)OC

InChI:
InChI=1S/C11H12O3/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3-8H,1-2H3/b4-3+

InChIKey:
KNUFNLWDGZQKKJ-ONEGZZNKSA-N

DeepSMILES:
O=C/C=C/cccccc6)OC)))OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamaldehydes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.706

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Chemical structure download