Summary

IMPPAT Phytochemical identifier: IMPHY010986

Phytochemical name: 2-Methyl cinnamyl alcohol

Synonymous chemical names:
2-methyl cinnamyl alcohol

External chemical identifiers:
CID:54031279, SureChEMBL:SCHEMBL4078766

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Chemical structure information

SMILES:
OCC=Cc1ccccc1C

InChI:
InChI=1S/C10H12O/c1-9-5-2-3-6-10(9)7-4-8-11/h2-7,11H,8H2,1H3

InChIKey:
LFTULPAVNUDILJ-UHFFFAOYSA-N

DeepSMILES:
OCC=Ccccccc6C

Functional groups:
CO, cC=CC

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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: 0.525

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Chemical structure download