CHEBI:69370 - kalopanaxsaponin A

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ChEBI Name kalopanaxsaponin A
ChEBI ID CHEBI:69370
Definition A triterpenoid saponin that is hederagenin attached to a 2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl residue at position 3 via a glycosidic linkage. 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 C41H66O12
Net Charge 0
Average Mass 750.95550
Monoisotopic Mass 750.455
InChI InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
InChIKey KEOITPILCOILGM-LLJOFIFVSA-N
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)[C@]2(C)CO)[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
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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 A (CHEBI:69370) has functional parent hederagenin (CHEBI:69579)
kalopanaxsaponin A (CHEBI:69370) has role anti-inflammatory agent (CHEBI:67079)
kalopanaxsaponin A (CHEBI:69370) has role plant metabolite (CHEBI:76924)
kalopanaxsaponin A (CHEBI:69370) is a disaccharide derivative (CHEBI:63353)
kalopanaxsaponin A (CHEBI:69370) is a hydroxy monocarboxylic acid (CHEBI:35868)
kalopanaxsaponin A (CHEBI:69370) is a pentacyclic triterpenoid (CHEBI:25872)
kalopanaxsaponin A (CHEBI:69370) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
3β-{[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid
Synonyms Sources
3-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranosyl hederagenin ChEBI
akebiasaponin PD ChemIDplus
akeboside Stc ChemIDplus
α-hederin ChemIDplus
glycoside L-E1 ChemIDplus
hederoside C ChemIDplus
helixin ChemIDplus
kizutasaponin K6 ChemIDplus
koronaroside A ChemIDplus
prosapogenin CP3b ChemIDplus
sapindoside A ChemIDplus
tauroside E ChemIDplus
Manual Xrefs Databases
C00003528 KNApSAcK
C08954 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
27013-91-8 CAS Registry Number ChemIDplus
76156 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21870831 PubMed citation Europe PMC
Last Modified
28 July 2014