kalopanaxsaponin B (CHEBI:69371)

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CHEBI:69371 - kalopanaxsaponin B

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ChEBI ID	CHEBI:69371
ChEBI Name	kalopanaxsaponin B
Stars
Definition	A triterpenoid saponin with hederagenin as the aglycone part. It has been isolated from the stem bark of Kalopanax pictus.
Last Modified	15 January 2014
Downloads	Molfile

Formula	C59H96O26
Net Charge	0
Average Mass	1221.391
Monoisotopic Mass	1220.61898
SMILES	[H][C@@]1(O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@@]4([H])C4=CC[C@]6([H])[C@@]7(C)CC[C@H](O[C@]8([H])OC[C@H](O)[C@H](O)[C@@]8([H])O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@](C)(CO)[C@]7([H])CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChI	InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,55-,56-,57+,58+,59-/m0/s1
InChIKey	RYHDIBJJJRNDSX-MCGLQMIESA-N

Species of Metabolite	Component	Source	Comments
Kalopanax pictus (ncbitaxon:46399)	stem (BTO:0001300)	PubMed (21870831)	Previous component: stem bark; Hot MeOH extract of dried stem bark

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:	anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology

Outgoing Relation(s)
	kalopanaxsaponin B (CHEBI:69371) has functional parent hederagenin (CHEBI:69579)
	kalopanaxsaponin B (CHEBI:69371) has role anti-inflammatory agent (CHEBI:67079)
	kalopanaxsaponin B (CHEBI:69371) has role plant metabolite (CHEBI:76924)
	kalopanaxsaponin B (CHEBI:69371) is a carboxylic ester (CHEBI:33308)
	kalopanaxsaponin B (CHEBI:69371) is a pentacyclic triterpenoid (CHEBI:25872)
	kalopanaxsaponin B (CHEBI:69371) is a triterpenoid saponin (CHEBI:61778)

IUPAC Name
6-deoxy-α-L-mannopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)-1-O-[(3β)-3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

Synonyms	Source
glycoside L-H2	ChemIDplus
akebia saponin PK	ChemIDplus
tauroside St-H2	ChemIDplus
hederacoside C	ChemIDplus
tauroside H2	ChemIDplus
akeboside Sth	ChemIDplus

Registry Numbers	Sources
Reaxys:4229541	Reaxys
CAS:14216-03-6	ChemIDplus

Citations