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CHEBI:34055 - 1,2-naphthoquinone

Default Structure
ChEBI IDCHEBI:34055
ChEBI Name1,2-naphthoquinone
Stars
DefinitionThe 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.
Last Modified8 May 2025
DownloadsMolfile
FormulaC10H6O2
Net Charge0
Average Mass158.156
Monoisotopic Mass158.03678
SMILESO=C1C=Cc2ccccc2C1=O
InChIInChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
InChIKeyKETQAJRQOHHATG-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
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 Relation(s)
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
Synonyms  Source
1,2-dihydro-1,2-diketo-naphthaleneChemIDplus
1,2-dihydronaphthalene-1,2-dioneChEBI
1,2-naphthalenedioneChemIDplus
o-naphthoquinoneChemIDplus
ortho-naphthoquinoneChEBI
β-naphthoquinoneChemIDplus
UniProt Name  Source
1,2-naphthoquinoneUniProt
Manual XrefsDatabases
1,2-NaphthoquinoneWikipedia
C14783KEGG COMPOUND
CPD-4895MetaCyc
Registry NumbersSources
Reaxys:606546Reaxys
CAS:524-42-5NIST Chemistry WebBook
CAS:524-42-5ChemIDplus
Citations