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CHEBI:70005 - combretol

ChEBI IDCHEBI:70005
ChEBI Namecombretol
Stars
DefinitionA pentamethoxyflavone that is myricetin in which the hydroxy groups at positions 3, 7, 3', 4' and 5' have been replaced by methoxy groups. It has been isolated from Combretum quadrangulare.
Last Modified6 January 2014
DownloadsMolfile
FormulaC20H20O8
Net Charge0
Average Mass388.372
Monoisotopic Mass388.11582
SMILESCOc1cc(O)c2c(=O)c(OC)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C20H20O8/c1-23-11-8-12(21)16-13(9-11)28-18(20(27-5)17(16)22)10-6-14(24-2)19(26-4)15(7-10)25-3/h6-9,21H,1-5H3
InChIKeySUNUQCQIFHHEOW-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Combretum quadrangulare (IPNI:170410-1) leaf (BTO:0000713) PubMed (21265555) Methanolic extract of leaves
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
Application:
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
ChEBI Ontology
Outgoing Relation(s)
combretol (CHEBI:70005) has functional parent myricetin (CHEBI:18152)
combretol (CHEBI:70005) has role antileishmanial agent (CHEBI:70868)
combretol (CHEBI:70005) has role metabolite (CHEBI:25212)
combretol (CHEBI:70005) has role plant metabolite (CHEBI:76924)
combretol (CHEBI:70005) is a monohydroxyflavone (CHEBI:38687)
combretol (CHEBI:70005) is a pentamethoxyflavone (CHEBI:38724)
IUPAC Name 
5-hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
Synonyms  Source
5-hydroxy-3,3',4',5',7-pentamethoxyflavoneChEBI
myricetin-3,7,3',4',5'-pentamethyletherChEBI
Manual XrefsDatabases
LMPK12112794LIPID MAPS
CombretolWikipedia
Registry NumbersSources
Reaxys:357241Reaxys
Citations