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CHEBI:67926 - 2''-acetylastragalin

ChEBI IDCHEBI:67926
ChEBI Name2''-acetylastragalin
Stars
DefinitionA kaempferol O-glucoside that is the 2''-acetyl derivative of astragalin (kaempferol 3-O-glucoside). Isolated from the aerial parts of Delphinium staphisagria, it exhibits trypanocidal activity.
Last Modified9 January 2014
DownloadsMolfile
FormulaC23H22O12
Net Charge0
Average Mass490.417
Monoisotopic Mass490.11113
SMILESCC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H22O12/c1-9(25)32-22-19(31)17(29)15(8-24)34-23(22)35-21-18(30)16-13(28)6-12(27)7-14(16)33-20(21)10-2-4-11(26)5-3-10/h2-7,15,17,19,22-24,26-29,31H,8H2,1H3/t15-,17-,19+,22-,23+/m1/s1
InChIKeyMWEQHAGXLGTSKL-OPCQMSRDSA-N
Species of MetaboliteComponentSourceComments
Delphinium staphisagria (ncbitaxon:104301) aerial part (BTO:0001658) PubMed (21466157) 80% ethanolic extract of chopped fresh plant
Roles Classification
Biological Roles:
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''-acetylastragalin (CHEBI:67926) has functional parent kaempferol 3-O-β-D-glucoside (CHEBI:30200)
2''-acetylastragalin (CHEBI:67926) has role plant metabolite (CHEBI:76924)
2''-acetylastragalin (CHEBI:67926) has role trypanocidal drug (CHEBI:36335)
2''-acetylastragalin (CHEBI:67926) is a acetate ester (CHEBI:47622)
2''-acetylastragalin (CHEBI:67926) is a kaempferol O-glucoside (CHEBI:64634)
2''-acetylastragalin (CHEBI:67926) is a monosaccharide derivative (CHEBI:63367)
2''-acetylastragalin (CHEBI:67926) is a trihydroxyflavone (CHEBI:27116)
2''-acetylastragalin (CHEBI:67926) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-acetyl-β-D-glucopyranoside
Registry NumbersSources
Reaxys:21451710Reaxys
Citations