Summary

IMPPAT Phytochemical identifier: IMPHY004184

Phytochemical name: Cinnamyl acetate

Synonymous chemical names:
(e)-cinnamyl acetate, (e)-cinnamyl-acetate, cinnamyl acetate, cinnamyl acetate, cynnamyl acetate

External chemical identifiers:
CID:5282110, ChEBI:156069, ZINC:ZINC000001677782, FDASRS:LFJ36XSV8K, SureChEMBL:SCHEMBL29599, MolPort-003-927-011

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Chemical structure information

SMILES:
CC(=O)OC/C=C/c1ccccc1

InChI:
InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+

InChIKey:
WJSDHUCWMSHDCR-VMPITWQZSA-N

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

Functional groups:
COC(C)=O, c/C=C/C

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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: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Styrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.867

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Chemical structure download