2''-acetylpaeonoside (CHEBI:67929)

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CHEBI:67929 - 2''-acetylpaeonoside

ChEBI ID	CHEBI:67929
ChEBI Name	2''-acetylpaeonoside
Stars
Definition	A kaempferol O-glucoside that is the 2''-acetyl derivative of kaempferol-3-O-β-D-glucopyranosyl-7-O-β-D-glucopyranoside (paeonoside). Isolated from Delphinium staphisagria, it exhibits trypanocidal activity.
Last Modified	25 November 2013
Downloads	Molfile

Formula	C29H32O17
Net Charge	0
Average Mass	652.558
Monoisotopic Mass	652.16395
SMILES	CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C29H32O17/c1-10(32)41-27-23(39)20(36)17(9-31)45-29(27)46-26-21(37)18-14(34)6-13(42-28-24(40)22(38)19(35)16(8-30)44-28)7-15(18)43-25(26)11-2-4-12(33)5-3-11/h2-7,16-17,19-20,22-24,27-31,33-36,38-40H,8-9H2,1H3/t16-,17-,19-,20-,22+,23+,24-,27-,28-,29+/m1/s1
InChIKey	UNCGSIXTLZAFKK-RXRZWAIISA-N

Species of Metabolite	Component	Source	Comments
Delphinium staphisagria (ncbitaxon:104301)	aerial part (BTO:0001658)	PubMed (21466157)	80% ethanolic extract of chopped fresh plant

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.

trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application:

trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.

ChEBI Ontology

Outgoing Relation(s)
	2''-acetylpaeonoside (CHEBI:67929) has functional parent kaempferol 3,7-di-O-β-D-glucoside (CHEBI:133224)
	2''-acetylpaeonoside (CHEBI:67929) has role metabolite (CHEBI:25212)
	2''-acetylpaeonoside (CHEBI:67929) has role plant metabolite (CHEBI:76924)
	2''-acetylpaeonoside (CHEBI:67929) has role trypanocidal drug (CHEBI:36335)
	2''-acetylpaeonoside (CHEBI:67929) is a acetate ester (CHEBI:47622)
	2''-acetylpaeonoside (CHEBI:67929) is a dihydroxyflavone (CHEBI:38686)
	2''-acetylpaeonoside (CHEBI:67929) is a kaempferol O-glucoside (CHEBI:64634)
	2''-acetylpaeonoside (CHEBI:67929) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-acetyl-β-D-glucopyranoside

Registry Numbers	Sources
Reaxys:1338924	Reaxys

Citations