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CHEBI:65739 - O-demethylbuchenavianine

ChEBI IDCHEBI:65739
ChEBI NameO-demethylbuchenavianine
Stars
ASCII NameO-demethylbuchenavianine
DefinitionA piperidine alkaloid that consists of 5,7-dihydroxyflavone attached to a 1-methylpiperindin-2-yl moiety at position 8. It is a flavonoid alkaloid isolated from Buchenavia capitata, and has been shown to exhibit anti-HIV activity.
Last Modified1 August 2013
DownloadsMolfile
FormulaC21H21NO4
Net Charge0
Average Mass351.402
Monoisotopic Mass351.14706
SMILESCN1CCCCC1c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)11-16(24)20-17(25)12-18(26-21(19)20)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23-24H,5-6,9-10H2,1H3
InChIKeyBBZGOLNDVQZCIH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Buchenavia capitata (ncbitaxon:470568) leaf (BTO:0000713) PubMed (1624941)
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.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
O-demethylbuchenavianine (CHEBI:65739) has role anti-HIV agent (CHEBI:64946)
O-demethylbuchenavianine (CHEBI:65739) has role metabolite (CHEBI:25212)
O-demethylbuchenavianine (CHEBI:65739) is a dihydroxyflavone (CHEBI:38686)
O-demethylbuchenavianine (CHEBI:65739) is a piperidine alkaloid (CHEBI:26147)
IUPAC Name 
5,7-dihydroxy-8-(1-methylpiperidin-2-yl)-2-phenyl-4H-chromen-4-one
Registry NumbersSources
Reaxys:5630398Reaxys
Citations