Summary

IMPPAT Phytochemical identifier: IMPHY006297

Phytochemical name: Chavibetol

Synonymous chemical names:
5-allyl-2-methoxyphenol, chavibetol

External chemical identifiers:
CID:596375, ChEMBL:CHEMBL259093, ChEBI:167418, ZINC:ZINC000000517281, FDASRS:OE7NQ16G4D, SureChEMBL:SCHEMBL901503, MolPort-002-507-060

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Chemical structure information

SMILES:
C=CCc1ccc(c(c1)O)OC

InChI:
InChI=1S/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3,5-7,11H,1,4H2,2H3

InChIKey:
NPBVQXIMTZKSBA-UHFFFAOYSA-N

DeepSMILES:
C=CCcccccc6)O))OC

Functional groups:
C=CC, cO, cOC

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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: Methoxyphenols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 1.008

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Chemical structure download