CHEBI:66170 - sapinmusaponin R

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ChEBI Name sapinmusaponin R
ChEBI ID CHEBI:66170
Definition A triterpenoid saponin isolated from Sapindus mukorossi and has been shown to exhibit inhibitory activity against platelet aggregation.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C49H80O17
Net Charge 0
Average Mass 941.14930
Monoisotopic Mass 940.53955
InChI InChI=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
InChIKey OCKYPFQQFWGAQA-GZIBETPZSA-N
SMILES [H][C@]1(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)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]([H])(CC[C@]4(C)C3=CC[C@@]2([H])C1(C)C)[C@]1([H])C[C@H](O[C@H]1OC)C=C(C)C
Metabolite of Species Details
Sapindus mukorossi (NCBI:txid57655) Found in gall (BTO:0000303). 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.
(via saponin )
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(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-glucopyranoside ChEBI
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-glucopyranoside ChEBI
Registry Number Type Source
11171146 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17827775 PubMed citation Europe PMC
Last Modified
01 October 2014