Summary

IMPPAT Phytochemical identifier: IMPHY003919

Phytochemical name: 2-Hydroxycinnamic acid

Synonymous chemical names:
(e)-2-hydroxycinnamic acid, coumaric-acid, o-coumaric acid, o-coumaric-acid

External chemical identifiers:
CID:637540, ChEMBL:CHEMBL52564, ChEBI:18125, ZINC:ZINC000000895911, FDASRS:23AU5FZB9C, SureChEMBL:SCHEMBL64885, MolPort-001-641-053

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Chemical structure information

SMILES:
OC(=O)/C=C/c1ccccc1O

InChI:
InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+

InChIKey:
PMOWTIHVNWZYFI-AATRIKPKSA-N

DeepSMILES:
OC=O)/C=C/cccccc6O

Functional groups:
c/C=C/C(=O)O, cO

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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: 0.579

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Chemical structure download