combretol (CHEBI:70005)

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ChEBI Name	combretol

ChEBI ID	CHEBI:70005

Definition	A pentamethoxyflavone that is myricetin in which the hydroxy groups at positions 3, 7, 3ʼ, 4ʼ and 5ʼ have been replaced by methoxy groups. It has been isolated from Combretum quadrangulare.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C20H20O8

Net Charge

Average Mass

388.36800

Monoisotopic Mass

388.11582

InChI

InChI=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

InChIKey

SUNUQCQIFHHEOW-UHFFFAOYSA-N

SMILES

COc1cc(O)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OC)c2=O

Metabolite of Species	Details
Combretum quadrangulare (IPNI:170410-1)	Found in leaf (BTO:0000713). Methanolic extract of leaves See: PubMed

Roles Classification
Biological Role(s):	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(s):	antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.

ChEBI Ontology
Outgoing	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	Sources
5-hydroxy-3,3ʼ,4ʼ,5ʼ,7-pentamethoxyflavone	ChEBI
myricetin-3,7,3ʼ,4ʼ,5ʼ-pentamethylether	ChEBI

Registry Number	Type	Source
357241	Reaxys Registry Number	Reaxys

Last Modified

06 January 2014