Summary

IMPPAT Phytochemical identifier: IMPHY014067

Phytochemical name: Methyl 4-hydroxycinnamate

Synonymous chemical names:
methyl p-hydroxycinnamate, methyl-p-hydroxycinnamate

External chemical identifiers:
CID:5319562, ChEMBL:CHEMBL146816, ZINC:ZINC000000153731, SureChEMBL:SCHEMBL547438, MolPort-001-760-655

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Chemical structure information

SMILES:
COC(=O)/C=C/c1ccc(cc1)O

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

InChIKey:
NITWSHWHQAQBAW-QPJJXVBHSA-N

DeepSMILES:
COC=O)/C=C/cccccc6))O

Functional groups:
c/C=C/C(=O)OC, 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: 0.87

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Chemical structure download