Summary

IMPPAT Phytochemical identifier: IMPHY013820

Phytochemical name: 1'-Hydroxy-2'-acetonaphthone

Synonymous chemical names:
2-acetyl-1-naphthol

External chemical identifiers:
CID:69733, ChEMBL:CHEMBL569194, ZINC:ZINC000000154709, FDASRS:N3BKY69086, SureChEMBL:SCHEMBL431650, MolPort-001-759-193

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Chemical structure information

SMILES:
CC(=O)c1ccc2c(c1O)cccc2

InChI:
InChI=1S/C12H10O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14H,1H3

InChIKey:
JBGJVMVWYWUVOW-UHFFFAOYSA-N

DeepSMILES:
CC=O)cccccc6O))cccc6

Functional groups:
cC(C)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2ccccc2c1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthols and derivatives

NP Classifier Biosynthetic pathway: Polyketides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthalenes and derivatives

NP-Likeness score: 0.063

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Chemical structure download