Summary

IMPPAT Phytochemical identifier: IMPHY003188

Phytochemical name: 1-(2,4-Dihydroxy-3,5-dimethylphenyl)ethanone

Synonymous chemical names:
clavatol

External chemical identifiers:
CID:3083634

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Chemical structure information

SMILES:
CC(=O)c1cc(C)c(c(c1O)C)O

InChI:
InChI=1S/C10H12O3/c1-5-4-8(7(3)11)10(13)6(2)9(5)12/h4,12-13H,1-3H3

InChIKey:
AMZNYVFIWCPUAY-UHFFFAOYSA-N

DeepSMILES:
CC=O)cccC)ccc6O))C))O

Functional groups:
cC(C)=O, 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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP-Likeness score: 0.572

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Chemical structure download