Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006656

Phytochemical name: (Z)-Cinnamyl acetate

Synonymous chemical names:
(z)-cinnamyl-acetate, (z )-cinnamyl acetate, (Z)-Cinnamyl acetate, (Z)-cinnamyl acetate

External chemical identifiers:
CID:CID_5315912, ZINC:ZINC000008616481, FDASRS:F2OM1ON84F, SureChEMBL:SCHEMBL12123424

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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-YVMONPNESA-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