Summary

IMPPAT Phytochemical identifier: IMPHY016147

Phytochemical name: 1-Naphthol

Synonymous chemical names:
1-naphthalenol

External chemical identifiers:
CID:7005, ChEMBL:CHEMBL122617, ChEBI:10319, ZINC:ZINC000004292977, FDASRS:2A71EAQ389, SureChEMBL:SCHEMBL3416, MolPort-000-872-002

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Chemical structure information

SMILES:
Oc1cccc2c1cccc2

InChI:
InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H

InChIKey:
KJCVRFUGPWSIIH-UHFFFAOYSA-N

DeepSMILES:
Occcccc6cccc6

Functional groups:
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

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthalenes and derivatives

NP-Likeness score: 0.272

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Chemical structure download