Summary

IMPPAT Phytochemical identifier: IMPHY016562

Phytochemical name: Cinnamyl formate

Synonymous chemical names:
cinnamyl formate

External chemical identifiers:
CID:5354883, ZINC:ZINC000001583796, FDASRS:896AGS89RD, SureChEMBL:SCHEMBL22460, MolPort-003-910-711

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Chemical structure information

SMILES:
O=COC/C=C/c1ccccc1

InChI:
InChI=1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2/b7-4+

InChIKey:
LBHJXKYRYCUGPD-QPJJXVBHSA-N

DeepSMILES:
O=COC/C=C/cccccc6

Functional groups:
COC=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: 0.859

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Chemical structure download