Summary

IMPPAT Phytochemical identifier: IMPHY017712

Phytochemical name: 2-Methoxycinnamic acid

Synonymous chemical names:
2-methoxycinnamic acid

External chemical identifiers:
CID:734154, ChEMBL:CHEMBL95203, ChEBI:136676, ZINC:ZINC000000149577, FDASRS:J77SK1Y4MY, SureChEMBL:SCHEMBL79060, MolPort-000-860-922

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Chemical structure information

SMILES:
COc1ccccc1/C=C/C(=O)O

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

InChIKey:
FEGVSPGUHMGGBO-VOTSOKGWSA-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: Hydroxycinnamic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.093

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Chemical structure download