Summary

IMPPAT Phytochemical identifier: IMPHY010336

Phytochemical name: cis-4-Coumarate

Synonymous chemical names:
cis-p-coumarate

External chemical identifiers:
CID:54729371, ChEBI:58152

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Chemical structure information

SMILES:
OC(=O)/C=Cc1ccc(cc1)[O-]

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

InChIKey:
NGSWKAQJJWESNS-UTCJRWHESA-M

DeepSMILES:
OC=O)/C=Ccccccc6))[O-]

Functional groups:
c/C=CC(=O)O, c[O-]

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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: 0.403

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Chemical structure download