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
Chemical structure information
SMILES:
CC(=O)OC/C=C/c1ccccc1InChI:
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-NDeepSMILES:
CC=O)OC/C=C/cccccc6Functional groups:
COC(C)=O, c/C=C/C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1Scaffold Graph/Node level:
C1CCCCC1Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: BenzenoidsClassyFire 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
Chemical structure download