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CHEBI:67927 - astragalin heptaacetate

Default Structure
ChEBI IDCHEBI:67927
ChEBI Nameastragalin heptaacetate
Stars
DefinitionA kaempferol O-glucoside that is the hepta acetate ester derivative of astragalin. Isolated from the aerial parts of Delphinium staphisagria, it exhibits trypanocidal activity.
Last Modified25 November 2013
DownloadsMolfile
FormulaC35H34O18
Net Charge0
Average Mass742.639
Monoisotopic Mass742.17451
SMILESCC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(OC(C)=O)cc3)oc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C35H34O18/c1-15(36)44-14-27-31(48-19(5)40)33(49-20(6)41)34(50-21(7)42)35(52-27)53-32-29(43)28-25(47-18(4)39)12-24(46-17(3)38)13-26(28)51-30(32)22-8-10-23(11-9-22)45-16(2)37/h8-13,27,31,33-35H,14H2,1-7H3/t27-,31-,33+,34-,35+/m1/s1
InChIKeyXNIDEUYQVRRKJJ-FZPNTLRJSA-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:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
trypanocidal drug  A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
astragalin heptaacetate (CHEBI:67927) has functional parent kaempferol 3-O-β-D-glucoside (CHEBI:30200)
astragalin heptaacetate (CHEBI:67927) has role metabolite (CHEBI:25212)
astragalin heptaacetate (CHEBI:67927) has role plant metabolite (CHEBI:76924)
astragalin heptaacetate (CHEBI:67927) has role trypanocidal drug (CHEBI:36335)
astragalin heptaacetate (CHEBI:67927) is a acetate ester (CHEBI:47622)
astragalin heptaacetate (CHEBI:67927) is a kaempferol O-glucoside (CHEBI:64634)
astragalin heptaacetate (CHEBI:67927) is a monosaccharide derivative (CHEBI:63367)
astragalin heptaacetate (CHEBI:67927) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2-[4-(acetyloxy)phenyl]-4-oxo-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4H-chromene-5,7-diyl diacetate
Registry NumbersSources
Reaxys:77909Reaxys
Citations