Summary

IMPPAT Phytochemical identifier: IMPHY011984

Phytochemical name: Ethyl cinnamate

Synonymous chemical names:
(e)-ethyl cinnamate, ethyl cinnamate, ethyl cinnamate*, ethyl trans-cinnamate, ethyl-cinnamate, ethylcinnamate, trans-ethyl cinnamate

External chemical identifiers:
CID:637758, ChEMBL:CHEMBL318196, ChEBI:4895, ZINC:ZINC000012358720, FDASRS:C023P3M5JJ, SureChEMBL:SCHEMBL112445, MolPort-001-779-802

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Chemical structure information

SMILES:
CCOC(=O)/C=C/c1ccccc1

InChI:
InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+

InChIKey:
KBEBGUQPQBELIU-CMDGGOBGSA-N

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

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

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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: 0.082

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Chemical structure download