Summary

IMPPAT Phytochemical identifier: IMPHY005556

Phytochemical name: 2,3-Dihydroxycinnamic acid

Synonymous chemical names:
2,3-di-oh-cinnamic acid, 2,3-dihydroxycinnamic-acid

External chemical identifiers:
CID:5282146, ChEBI:32356, ZINC:ZINC000002504956, FDASRS:8EU63XMR43, SureChEMBL:SCHEMBL89185

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Chemical structure information

SMILES:
OC(=O)/C=C/c1cccc(c1O)O

InChI:
InChI=1S/C9H8O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,10,13H,(H,11,12)/b5-4+

InChIKey:
SIUKXCMDYPYCLH-SNAWJCMRSA-N

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

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: 0.869

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Chemical structure download