EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:42646 - flaviolin

ChEBI IDCHEBI:42646
ChEBI Nameflaviolin
Stars
DefinitionA hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone having three hydroxy substituents placed at the 2-, 5- and 7-positions.
Last Modified9 June 2016
DownloadsMolfile
FormulaC10H6O5
Net Charge0
Average Mass206.153
Monoisotopic Mass206.02152
SMILESO=C1C(O)=CC(=O)c2c(O)cc(O)cc21
InChIInChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H
InChIKeyRROPNRTUMVVUED-UHFFFAOYSA-N
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
flaviolin (CHEBI:42646) has role Aspergillus metabolite (CHEBI:76956)
flaviolin (CHEBI:42646) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
flaviolin (CHEBI:42646) is conjugate acid of flaviolin-2-olate (CHEBI:58696)
Incoming Relation(s)
2-O,3-dimethylflaviolin (CHEBI:82611) has functional parent flaviolin (CHEBI:42646)
3-linalylflaviolin (CHEBI:79196) has functional parent flaviolin (CHEBI:42646)
3,3'-biflaviolin (CHEBI:51836) has functional parent flaviolin (CHEBI:42646)
3,8'-biflaviolin (CHEBI:51837) has functional parent flaviolin (CHEBI:42646)
6-linalyl-2-O,3-dimethylflaviolin (CHEBI:82610) has functional parent flaviolin (CHEBI:42646)
7-O-geranyl-2-O,3-dimethylflaviolin (CHEBI:78590) has functional parent flaviolin (CHEBI:42646)
flaviolin-2-olate (CHEBI:58696) is conjugate base of flaviolin (CHEBI:42646)
IUPAC Name 
2,5,7-trihydroxynaphthalene-1,4-dione
Synonyms  Source
FLAVIOLINPDBeChem
4,5,7-trihydroxynaphthalene-1,2-dioneIUBMB
2,5,7-Trihydroxy-1,4-naphthalenedioneKEGG COMPOUND
Manual XrefsDatabases
FLVPDBeChem
C18012KEGG COMPOUND
CPD-10679MetaCyc
Registry NumbersSources
Reaxys:2051866Reaxys
CAS:479-05-0ChemIDplus
CAS:479-05-0KEGG COMPOUND
Citations