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CHEBI:65607 - 5-O-methylcelebixanthone

Default Structure
ChEBI IDCHEBI:65607
ChEBI Name5-O-methylcelebixanthone
Stars
ASCII Name5-O-methylcelebixanthone
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 3 and 8, methoxy groups at position 2 and 4 and a prenyl group at position 1. A methyl ether derivative of celebixanthone, it is isolated from the roots of Cratoxylum cochinchinense and exhibits antimalarial activities.
Last Modified10 December 2012
DownloadsMolfile
FormulaC20H20O6
Net Charge0
Average Mass356.374
Monoisotopic Mass356.12599
SMILESCOc1c(O)c(OC)c2oc3cccc(O)c3c(=O)c2c1CC=C(C)C
InChIInChI=1S/C20H20O6/c1-10(2)8-9-11-14-16(22)15-12(21)6-5-7-13(15)26-19(14)20(25-4)17(23)18(11)24-3/h5-8,21,23H,9H2,1-4H3
InChIKeyAIBPYVNEBSHOCZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cratoxylum cochinchinense (ncbitaxon:271749) root (BTO:0001188) PubMed (16651783)
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.
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
Application:
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
ChEBI Ontology
Outgoing Relation(s)
5-O-methylcelebixanthone (CHEBI:65607) has functional parent celebixanthone (CHEBI:65606)
5-O-methylcelebixanthone (CHEBI:65607) has role antimalarial (CHEBI:38068)
5-O-methylcelebixanthone (CHEBI:65607) has role metabolite (CHEBI:25212)
5-O-methylcelebixanthone (CHEBI:65607) is a aromatic ether (CHEBI:35618)
5-O-methylcelebixanthone (CHEBI:65607) is a polyphenol (CHEBI:26195)
5-O-methylcelebixanthone (CHEBI:65607) is a xanthones (CHEBI:51149)
IUPAC Name 
3,8-dihydroxy-2,4-dimethoxy-1-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Registry NumbersSources
Reaxys:10380107Reaxys
Citations