Summary

IMPPAT Phytochemical identifier: IMPHY017734

Phytochemical name: 2-Allyl-6-methylphenol

Synonymous chemical names:
2-methyl-6-2-propeny1)-phenol

External chemical identifiers:
CID:76883, ZINC:ZINC000001690121, FDASRS:BGU079WOI3, SureChEMBL:SCHEMBL722558, MolPort-000-005-285

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Chemical structure information

SMILES:
Cc1cccc(c1O)CC=C

InChI:
InChI=1S/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3

InChIKey:
WREVCRYZAWNLRZ-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6O))CC=C

Functional groups:
C=CC, cO

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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: Phenols

ClassyFire Subclass: Cresols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.499

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Chemical structure download