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CHEBI:66170 - sapinmusaponin R

ChEBI IDCHEBI:66170
ChEBI Namesapinmusaponin R
Stars
DefinitionA triterpenoid saponin isolated from Sapindus mukorossi and has been shown to exhibit inhibitory activity against platelet aggregation.
Last Modified1 October 2014
DownloadsMolfile
FormulaC49H80O17
Net Charge0
Average Mass941.162
Monoisotopic Mass940.53955
SMILES[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]2([H])O[C@H]2CC[C@]3(C)[C@@]4([H])CC[C@@]5(C)[C@@]([H])([C@]6([H])C[C@@H](C=C(C)C)O[C@H]6OC)CC[C@]5(C)C4=CC[C@@]3([H])C2(C)C)O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C49H80O17/c1-22(2)18-24-19-25(42(59-9)62-24)26-12-16-49(8)28-10-11-31-46(4,5)32(14-15-47(31,6)27(28)13-17-48(26,49)7)65-45-41(38(56)34(52)29(20-50)63-45)66-44-40(58)37(55)35(53)30(64-44)21-60-43-39(57)36(54)33(51)23(3)61-43/h10,18,23-27,29-45,50-58H,11-17,19-21H2,1-9H3/t23-,24+,25-,26+,27-,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,47+,48-,49+/m0/s1
InChIKeyOCKYPFQQFWGAQA-GZIBETPZSA-N
Species of MetaboliteComponentSourceComments
Sapindus mukorossi (ncbitaxon:57655) gall (BTO:0000303) PubMed (17827775)
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
ChEBI Ontology
Outgoing Relation(s)
sapinmusaponin R (CHEBI:66170) has role plant metabolite (CHEBI:76924)
sapinmusaponin R (CHEBI:66170) has role platelet aggregation inhibitor (CHEBI:50427)
sapinmusaponin R (CHEBI:66170) is a oxolanes (CHEBI:26912)
sapinmusaponin R (CHEBI:66170) is a tirucallane triterpenoid (CHEBI:83211)
sapinmusaponin R (CHEBI:66170) is a trisaccharide derivative (CHEBI:63571)
sapinmusaponin R (CHEBI:66170) is a triterpenoid saponin (CHEBI:61778)
Synonyms  Source
21α-methoxy-3β,21(R),23(S)-epoxytirucall-7,24-diene-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosideChEBI
(3β,13α,14β,20S,21R,23S)-21-methoxy-21,23-epoxylanosta-7,24-dien-3-yl 6-deoxy-α-L-mannopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosideChEBI
Registry NumbersSources
Reaxys:11171146Reaxys
Citations