Summary

IMPPAT Phytochemical identifier: IMPHY003775

Phytochemical name: Methyl 4-methoxycinnamate

Synonymous chemical names:
methyl p-methoxycinnamate, methyl trans-p-methoxycinnamate, methyl-p-methoxy-cinnamate, methyl-trans-p-methoxycinnamate

External chemical identifiers:
CID:641297, ChEBI:86901, ZINC:ZINC000001633880, FDASRS:1F58T0S3Q7, SureChEMBL:SCHEMBL1237222, MolPort-001-832-953

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Chemical structure information

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

InChI:
InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5+

InChIKey:
VEZIKIAGFYZTCI-VMPITWQZSA-N

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

Functional groups:
c/C=C/C(=O)OC, 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: Cinnamic acid esters

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.318

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Chemical structure download