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CHEBI:6017 - isogentisin

ChEBI IDCHEBI:6017
ChEBI Nameisogentisin
Stars
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 3 and a methoxy group at position 7.
Last Modified3 October 2014
DownloadsMolfile
FormulaC14H10O5
Net Charge0
Average Mass258.229
Monoisotopic Mass258.05282
SMILESCOc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1
InChIInChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3
InChIKeyFVIYCYAHKMJVJK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Gentiana lutea (ncbitaxon:38851) - PubMed (18064621)
Roles Classification
Biological Roles:
EC 1.4.3.4 (monoamine oxidase) inhibitor  An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
isogentisin (CHEBI:6017) has role EC 1.4.3.4 (monoamine oxidase) inhibitor (CHEBI:38623)
isogentisin (CHEBI:6017) has role plant metabolite (CHEBI:76924)
isogentisin (CHEBI:6017) is a aromatic ether (CHEBI:35618)
isogentisin (CHEBI:6017) is a polyphenol (CHEBI:26195)
isogentisin (CHEBI:6017) is a xanthones (CHEBI:51149)
IUPAC Name 
1,3-dihydroxy-7-methoxy-9H-xanthen-9-one
Synonyms  Source
1,3-Dihydroxy--7-methoxyxanthoneKEGG COMPOUND
IsogentisineChemIDplus
Manual XrefsDatabases
C10070KEGG COMPOUND
C00002957KNApSAcK
HMDB0030871HMDB
Registry NumbersSources
Reaxys:258402Reaxys
CAS:491-64-5KEGG COMPOUND
CAS:491-64-5ChemIDplus
Citations