Summary

IMPPAT Phytochemical identifier: IMPHY011811

Phytochemical name: (Z)-Methyl cinnamate

Synonymous chemical names:
(z )-methyl cinnamate, (z )-methylcinnamate, (z)-methyl cinnamate, (z)-methylcinnamate, methyl (z)-cinnamate, methyl(z)-cinnamate, methyl-(z)-cinnamate, z-methyl cinnamate

External chemical identifiers:
CID:6428458, ZINC:ZINC000012358780, FDASRS:C8O8SZU001, SureChEMBL:SCHEMBL2425288

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Chemical structure information

SMILES:
COC(=O)/C=Cc1ccccc1

InChI:
InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7-

InChIKey:
CCRCUPLGCSFEDV-FPLPWBNLSA-N

DeepSMILES:
COC=O)/C=Ccccccc6

Functional groups:
c/C=CC(=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: 0.396

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Chemical structure download