acacetin-7-O-beta-D-galactopyranoside (CHEBI:65361)

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CHEBI:65361 - acacetin-7-O-β-D-galactopyranoside

ChEBI ID	CHEBI:65361
ChEBI Name	acacetin-7-O-β-D-galactopyranoside
Stars
ASCII Name	acacetin-7-O-beta-D-galactopyranoside
Definition	A glycosyloxyflavone that is the 7-O-β-D-galactopyranosyl derivative of acacetin. It is isolated from the flowering heads of Chrysanthemum morifolium and has been found to possess potent anti-HIV activity.
Last Modified	26 October 2012
Downloads	Molfile

Formula	C22H22O10
Net Charge	0
Average Mass	446.408
Monoisotopic Mass	446.12130
SMILES	COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
InChI	InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19+,20+,21-,22-/m1/s1
InChIKey	NLZCOTZRUWYPTP-WHCFWRGISA-N

Species of Metabolite	Component	Source	Comments
Chrysanthemum morifolium (ncbitaxon:41568)	inflorescence (BTO:0000628)	PubMed (8158164)

Roles Classification

Biological Roles:

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)
	acacetin-7-O-β-D-galactopyranoside (CHEBI:65361) has functional parent 5,7-dihydroxy-4'-methoxyflavone (CHEBI:15335)
	acacetin-7-O-β-D-galactopyranoside (CHEBI:65361) has role anti-HIV agent (CHEBI:64946)
	acacetin-7-O-β-D-galactopyranoside (CHEBI:65361) has role metabolite (CHEBI:25212)
	acacetin-7-O-β-D-galactopyranoside (CHEBI:65361) is a glycosyloxyflavone (CHEBI:50018)
	acacetin-7-O-β-D-galactopyranoside (CHEBI:65361) is a monohydroxyflavone (CHEBI:38687)
	acacetin-7-O-β-D-galactopyranoside (CHEBI:65361) is a monomethoxyflavone (CHEBI:25401)
	acacetin-7-O-β-D-galactopyranoside (CHEBI:65361) is a β-D-galactoside (CHEBI:28034)

IUPAC Name
5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl β-D-galactopyranoside

Synonyms	Source
7-(β-D-galactopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	ChEBI
5,7-dihydroxy-4'-methoxyflavone-7-O-β-D-galactopyranoside	ChEBI

Registry Numbers	Sources
Reaxys:1359476	Reaxys

Citations