apigenin 7-O-beta-D-glucoside(1-) (CHEBI:77722)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:77722 - apigenin 7-O-β-D-glucoside(1−)

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:77722
ChEBI Name	apigenin 7-O-β-D-glucoside(1−)
Stars
ASCII Name	apigenin 7-O-beta-D-glucoside(1-)
Definition	A flavonoid oxoanion that is the conjugate base of apigenin 7-O-β-D-glucoside, obtained by deprotonation of the 7-hydroxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified	19 June 2014
Submitter	Anne Morgat
Downloads	Molfile

Formula	C21H19O10
Net Charge	-1
Average Mass	431.373
Monoisotopic Mass	431.09837
SMILES	O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc([O-])c12
InChI	InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/p-1/t16-,18-,19+,20-,21-/m1/s1
InChIKey	KMOUJOKENFFTPU-QNDFHXLGSA-M

Roles Classification

Biological Roles:	antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:	non-steroidal anti-inflammatory drug An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.

ChEBI Ontology

Outgoing Relation(s)
	apigenin 7-O-β-D-glucoside(1−) (CHEBI:77722) has role antibacterial agent (CHEBI:33282)
	apigenin 7-O-β-D-glucoside(1−) (CHEBI:77722) has role metabolite (CHEBI:25212)
	apigenin 7-O-β-D-glucoside(1−) (CHEBI:77722) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
	apigenin 7-O-β-D-glucoside(1−) (CHEBI:77722) is a flavonoid oxoanion (CHEBI:60038)
	apigenin 7-O-β-D-glucoside(1−) (CHEBI:77722) is conjugate base of apigenin 7-O-β-D-glucoside (CHEBI:16778)
Incoming Relation(s)
Incoming Relation(s)	apigenin 7-O-β-D-glucoside (CHEBI:16778) is conjugate acid of apigenin 7-O-β-D-glucoside(1−) (CHEBI:77722)

IUPAC Name
7-(β-D-glucopyranosyloxy)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-olate

UniProt Name	Source
apigenin 7-O-β-D-glucoside	UniProt