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:

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.

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

Registry Numbers	Sources
Reaxys:1359476	Reaxys

Citations