Summary

IMPPAT Phytochemical identifier: IMPHY005850

Phytochemical name: Cinnamyl benzoate

Synonymous chemical names:
(e)-cinnamoylbenzoate, cinnamyl benzoate, cinnamyl benzoate*, cinnamyl-benzoate

External chemical identifiers:
CID:5705112, ChEMBL:CHEMBL1095237, ChEBI:174231, ZINC:ZINC000001765815, FDASRS:YD42CSO4W9, SureChEMBL:SCHEMBL382617, MolPort-003-659-589

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Chemical structure information

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

InChI:
InChI=1S/C16H14O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7+

InChIKey:
UARVBDPGNUHYQT-JXMROGBWSA-N

DeepSMILES:
O=Ccccccc6))))))OC/C=C/cccccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OCC=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(OCCCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCCCC1CCCCC1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.163

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Chemical structure download