CHEBI:42646 - flaviolin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name flaviolin
ChEBI ID CHEBI:42646
Definition A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone having three hydroxy substituents placed at the 2-, 5- and 7-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C10H6O5
Net Charge 0
Average Mass 206.15164
Monoisotopic Mass 206.02152
InChI InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H
InChIKey RROPNRTUMVVUED-UHFFFAOYSA-N
SMILES Oc1cc(O)c2C(=O)C=C(O)C(=O)c2c1
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 2-O,3-dimethylflaviolin (CHEBI:82611) 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)
3-linalylflaviolin (CHEBI:79196) 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 Sources
2,5,7-Trihydroxy-1,4-naphthalenedione KEGG COMPOUND
4,5,7-trihydroxynaphthalene-1,2-dione
Note: (2009-02-09) IUBMB Enzyme Nomenclature Glossary entry for EC 1.14.21.7 defines flaviolin as the 1,2-quinone.
 IUBMB
FLAVIOLIN PDBeChem
Manual Xrefs Databases
C18012 KEGG COMPOUND
CPD-10679 MetaCyc
FLV PDBeChem
View more database links
Registry Numbers Types Sources
2051866 Beilstein Registry Number Beilstein
2051866 Reaxys Registry Number Reaxys
479-05-0 CAS Registry Number KEGG COMPOUND
479-05-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
20351110 PubMed citation Europe PMC
Last Modified
09 June 2016