CHEBI:67930 - paeonoside decaacetate

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ChEBI Name paeonoside decaacetate
ChEBI ID CHEBI:67930
Definition A kaempferol O-glucoside that is the decaacetate ester derivative of paeonoside. Isolated from the aerial parts of Delphinium staphisagria, it exhibits trypanocidal activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C47H50O26
Net Charge 0
Average Mass 1030.88430
Monoisotopic Mass 1030.25903
InChI InChI=1S/C47H50O26/c1-19(48)59-17-34-39(63-23(5)52)42(65-25(7)54)44(67-27(9)56)46(71-34)69-31-15-32(62-22(4)51)36-33(16-31)70-38(29-11-13-30(14-12-29)61-21(3)50)41(37(36)58)73-47-45(68-28(10)57)43(66-26(8)55)40(64-24(6)53)35(72-47)18-60-20(2)49/h11-16,34-35,39-40,42-47H,17-18H2,1-10H3/t34-,35-,39-,40-,42+,43+,44-,45-,46-,47+/m1/s1
InChIKey NLVNWKWBXDAKIC-GHNQEIAISA-N
SMILES CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(c2)oc(-c2ccc(OC(C)=O)cc2)c(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Metabolite of Species Details
Delphinium staphisagria (NCBI:txid104301) Found in aerial part (BTO:0001658). 80% ethanolic extract of chopped fresh plant See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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.
Application(s): trypanocidal drug
A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing paeonoside decaacetate (CHEBI:67930) has functional parent kaempferol 3,7-di-O-β-D-glucoside (CHEBI:133224)
paeonoside decaacetate (CHEBI:67930) has role metabolite (CHEBI:25212)
paeonoside decaacetate (CHEBI:67930) has role plant metabolite (CHEBI:76924)
paeonoside decaacetate (CHEBI:67930) has role trypanocidal drug (CHEBI:36335)
paeonoside decaacetate (CHEBI:67930) is a β-D-glucoside (CHEBI:22798)
paeonoside decaacetate (CHEBI:67930) is a acetate ester (CHEBI:47622)
paeonoside decaacetate (CHEBI:67930) is a kaempferol O-glucoside (CHEBI:64634)
IUPAC Name
4-{5-(acetyloxy)-4-oxo-3,7-bis[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4H-chromen-2-yl}phenyl acetate
Synonym Source
kaempferol-3,7-di-O-β-D-glucopyranoside decacetate ChEBI
Registry Number Type Source
23277590 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21466157 PubMed citation Europe PMC
Last Modified
25 November 2013