CHEBI:69371 - kalopanaxsaponin B

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ChEBI Name kalopanaxsaponin B
ChEBI ID CHEBI:69371
Definition A triterpenoid saponin with hederagenin as the aglycone part. It has been isolated from the stem bark of Kalopanax pictus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C59H96O26
Net Charge 0
Average Mass 1221.37790
Monoisotopic Mass 1220.61898
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
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Kalopanax pictus (NCBI:txid46399) Found in stem (BTO:0001300). Previous component: stem bark; Hot MeOH extract of dried stem bark 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): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
akebia saponin PK ChemIDplus
akeboside Sth ChemIDplus
glycoside L-H2 ChemIDplus
hederacoside C ChemIDplus
hederagenin 3-O-α-L-rhamnopyranosyl-(1→2)-O-α-L-arabinopyranoside 28-O-α-L-rhamnopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl ester ChEBI
hederoside H1 ChemIDplus
pericarsaponin Pk ChemIDplus
pulsatilla saponin F ChemIDplus
tauroside H2 ChemIDplus
tauroside St-H2 ChemIDplus
Registry Numbers Types Sources
14216-03-6 CAS Registry Number ChemIDplus
4229541 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21870831 PubMed citation Europe PMC
Last Modified
15 January 2014