Summary

IMPPAT Phytochemical identifier: IMPHY004593

Phytochemical name: Ethyl p-methoxycinnamate

Synonymous chemical names:
ethyl p-methoxy-trans-cinnamate, ethyl p-methoxycinnamate, ethyl-p-methoxy cinnamate, ethyl-p-methoxy-trans-cinnamate, ethyl-p-methoxycinnamate, ethyl-para-methoxycinnamate, ethylcinnamate,trans-,p-methoxy, p-methoxycinnamic-acid-ethyl-ester, p-methoxycinnamte

External chemical identifiers:
CID:5281783, ChEMBL:CHEMBL95956, ZINC:ZINC000000899863, FDASRS:SD418S06XD, SureChEMBL:SCHEMBL1056347, MolPort-001-768-521

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Chemical structure information

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

InChI:
InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+

InChIKey:
DHNGCHLFKUPGPX-RMKNXTFCSA-N

DeepSMILES:
CCOC=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: 0.061

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Chemical structure download