Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003822

Phytochemical name: Cinnamyl alcohol

Synonymous chemical names:
(e)-cinnamyl-alcohol, cinnamic-alcohol, cinnamyl alcohol, cinnamic alcohol, (E)-cinnamyl alcohol, cinnamyl-alcohol, cinnarnyl alcohol

External chemical identifiers:
CID:CID_5315892, ChEMBL:CHEMBL324794, ChEBI:CHEBI:33227, ZINC:ZINC000001529427, FDASRS:SS8YOP444F, SureChEMBL:SCHEMBL39219, MolPort-001-783-093

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Chemical structure information

SMILES:
OC/C=C/c1ccccc1

InChI:
InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+

InChIKey:
OOCCDEMITAIZTP-QPJJXVBHSA-N

DeepSMILES:
OC/C=C/cccccc6

Functional groups:
CO, c/C=C/C

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS000901, MSBNK-RIKEN_ReSpect-PS044801, MSBNK-GL_Sciences_Inc-GLS00145

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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: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamyl alcohols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 1.14

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Chemical structure download