1,2-naphthoquinone (CHEBI:34055)

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ChEBI Name	1,2-naphthoquinone

ChEBI ID	CHEBI:34055

Definition	The parent structure of the family of 1,2-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 2 of the naphthalene ring. It is a metabolite of naphthalene and is found in diesel exhaust particles.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ZINC000096014531

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Formula

C10H6O2

Net Charge

Average Mass

158.156

Monoisotopic Mass

158.03678

InChI

InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H

InChIKey

KETQAJRQOHHATG-UHFFFAOYSA-N

SMILES

C1=CC=C2C(=C1)C(C(C=C2)=O)=O

Roles Classification
Biological Role(s):	carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. aryl hydrocarbon receptor agonist An agonist that binds to and activates aryl hydrocarbon receptors (AhRs).

ChEBI Ontology
Outgoing	1,2-naphthoquinone (CHEBI:34055) has parent hydride naphthalene (CHEBI:16482) 1,2-naphthoquinone (CHEBI:34055) has role aryl hydrocarbon receptor agonist (CHEBI:72768) 1,2-naphthoquinone (CHEBI:34055) has role carcinogenic agent (CHEBI:50903) 1,2-naphthoquinone (CHEBI:34055) is a 1,2-naphthoquinones (CHEBI:132141)

IUPAC Name

naphthalene-1,2-dione

Last Modified

23 June 2020