Summary

IMPPAT Phytochemical identifier: IMPHY017138

Phytochemical name: 2-Allylphenol

Synonymous chemical names:
2-allylphenol

External chemical identifiers:
CID:15624, ChEMBL:CHEMBL1229950, ChEBI:39826, ZINC:ZINC000001576883, FDASRS:O04F145ZJZ, SureChEMBL:SCHEMBL160157, MolPort-001-766-686

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Chemical structure information

SMILES:
C=CCc1ccccc1O

InChI:
InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2

InChIKey:
QIRNGVVZBINFMX-UHFFFAOYSA-N

DeepSMILES:
C=CCcccccc6O

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: 1-hydroxy-4-unsubstituted benzenoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.843

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Chemical structure download