Summary

IMPPAT Phytochemical identifier: IMPHY011361

Phytochemical name: 4-Methoxycinnamic acid

Synonymous chemical names:
p-methoxy cinnamic acid, p-methoxycinnamate, p-methoxycinnamic acid

External chemical identifiers:
CID:699414, ChEMBL:CHEMBL95770, ChEBI:143736, ZINC:ZINC000000077999, FDASRS:6G4ML8401A, SureChEMBL:SCHEMBL58699, MolPort-000-655-960

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Chemical structure information

SMILES:
COc1ccc(cc1)/C=C/C(=O)O

InChI:
InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+

InChIKey:
AFDXODALSZRGIH-QPJJXVBHSA-N

DeepSMILES:
COcccccc6))/C=C/C=O)O

Functional groups:
c/C=C/C(=O)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: Cinnamic acids and derivatives

ClassyFire Subclass: Cinnamic acids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.34

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Chemical structure download