Summary

IMPPAT Phytochemical identifier: IMPHY016219

Phytochemical name: 2-Allyl-p-cresol

Synonymous chemical names:
2-allyl-4-methyl phenol, 2-allyl-4-methylphenol

External chemical identifiers:
CID:81117, ZINC:ZINC000001690120, FDASRS:V9ZKZ3DMF3, SureChEMBL:SCHEMBL3821503, MolPort-001-785-631

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Chemical structure information

SMILES:
Cc1cc(CC=C)c(cc1)O

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

InChIKey:
JVXJWGPWQBPZOI-UHFFFAOYSA-N

DeepSMILES:
CcccCC=C)))ccc6))O

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: 0.571

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Chemical structure download