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CHEBI:27418 - 1,4-naphthoquinone

ChEBI IDCHEBI:27418
ChEBI Name1,4-naphthoquinone
Stars
DefinitionThe parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties.
Secondary ChEBI IDsCHEBI:542, CHEBI:18938
Last Modified8 June 2017
DownloadsMolfile
FormulaC10H6O2
Net Charge0
Average Mass158.156
Monoisotopic Mass158.03678
SMILESO=C1C=CC(=O)c2ccccc21
InChIInChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
InChIKeyFRASJONUBLZVQX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,4-naphthoquinone (CHEBI:27418) has parent hydride naphthalene (CHEBI:16482)
1,4-naphthoquinone (CHEBI:27418) is a 1,4-naphthoquinones (CHEBI:132142)
Incoming Relation(s)
1,4-naphthoquinone-2-carboxylic acid (CHEBI:88158) has functional parent 1,4-naphthoquinone (CHEBI:27418)
2,3-dimethoxynaphthalene-1,4-dione (CHEBI:64215) has functional parent 1,4-naphthoquinone (CHEBI:27418)
alisiaquinone A (CHEBI:65382) has functional parent 1,4-naphthoquinone (CHEBI:27418)
deoxyerythrostominol (CHEBI:194117) has functional parent 1,4-naphthoquinone (CHEBI:27418)
deoxyerythrostominone (CHEBI:194115) has functional parent 1,4-naphthoquinone (CHEBI:27418)
epierythrostominol (CHEBI:194116) has functional parent 1,4-naphthoquinone (CHEBI:27418)
erythrostominone (CHEBI:194114) has functional parent 1,4-naphthoquinone (CHEBI:27418)
IUPAC Name 
naphthalene-1,4-dione
Synonyms  Source
1,4-dihydro-1,4-diketonaphthaleneNIST Chemistry WebBook
1,4-NaphthalenedioneKEGG COMPOUND
[1,4]naphthoquinonChEBI
1,4-NaphthoquinoneKEGG COMPOUND
1,4-NQChEBI
p-naphthoquinoneNIST Chemistry WebBook
Manual XrefsDatabases
C02617KEGG COMPOUND
Registry NumbersSources
Gmelin:240850Gmelin
Reaxys:878524Reaxys
CAS:130-15-4NIST Chemistry WebBook
CAS:130-15-4KEGG COMPOUND
CAS:130-15-4ChemIDplus
Citations