sapinmusaponin Q (CHEBI:66169)

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CHEBI:66169 - sapinmusaponin Q

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ChEBI ID	CHEBI:66169
ChEBI Name	sapinmusaponin Q
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Definition	A triterpenoid saponin isolated from Sapindus mukorossi and has been shown to exhibit inhibitory activity against platelet aggregation.
Last Modified	1 October 2014
Downloads	Molfile

Formula	C43H70O13
Net Charge	0
Average Mass	795.020
Monoisotopic Mass	794.48164
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](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C43H70O13/c1-21(2)17-22-18-23(37(51-8)52-22)24-11-15-43(7)26-9-10-29-40(3,4)30(13-14-41(29,5)25(26)12-16-42(24,43)6)55-39-36(34(49)32(47)28(20-45)54-39)56-38-35(50)33(48)31(46)27(19-44)53-38/h9,17,22-25,27-39,44-50H,10-16,18-20H2,1-8H3/t22-,23+,24-,25+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,41-,42+,43-/m1/s1
InChIKey	SPDAIFHPZCHBGZ-FZFQDVCZSA-N

Species of Metabolite	Component	Source	Comments
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 Q (CHEBI:66169) has role plant metabolite (CHEBI:76924)
	sapinmusaponin Q (CHEBI:66169) has role platelet aggregation inhibitor (CHEBI:50427)
	sapinmusaponin Q (CHEBI:66169) is a disaccharide derivative (CHEBI:63353)
	sapinmusaponin Q (CHEBI:66169) is a oxolanes (CHEBI:26912)
	sapinmusaponin Q (CHEBI:66169) is a tirucallane triterpenoid (CHEBI:83211)
	sapinmusaponin Q (CHEBI:66169) is a triterpenoid saponin (CHEBI:61778)

IUPAC Name
(3β,13α,14β,20S,21R,23S)-21-methoxy-21,23-epoxylanosta-7,24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

Synonym	Source
21α-methoxy-3β,21(R),23(S)-epoxytirucall-7,24-diene-3-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside	ChEBI

Registry Numbers	Sources
Reaxys:11171145	Reaxys

Citations