CHEBI:69374 - dipsacussaponin A

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ChEBI Name dipsacussaponin A
ChEBI ID CHEBI:69374
Definition A triterpenoid saponin that is the disaccharide derivative of hederagenin. 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 C42H68O14
Net Charge 0
Average Mass 796.98090
Monoisotopic Mass 796.46091
InChI InChI=1S/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(55-35)19-53-34-32(50)30(48)28(46)23(18-43)54-34)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,20-44)25(38)9-12-41(26,40)6/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40+,41+,42-/m0/s1
InChIKey JZJSMQHXFBDMBB-RTQWZQBFSA-N
SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[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 dipsacussaponin A (CHEBI:69374) has functional parent hederagenin (CHEBI:69579)
dipsacussaponin A (CHEBI:69374) has role anti-inflammatory agent (CHEBI:67079)
dipsacussaponin A (CHEBI:69374) has role plant metabolite (CHEBI:76924)
dipsacussaponin A (CHEBI:69374) is a β-D-glucoside (CHEBI:22798)
dipsacussaponin A (CHEBI:69374) is a diol (CHEBI:23824)
dipsacussaponin A (CHEBI:69374) is a disaccharide derivative (CHEBI:63353)
dipsacussaponin A (CHEBI:69374) is a pentacyclic triterpenoid (CHEBI:25872)
dipsacussaponin A (CHEBI:69374) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
1-O-[(3β)-3,23-dihydroxy-28-oxoolean-12-en-28-yl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose
Synonym Source
hederagenin 28-O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl ester ChEBI
Registry Number Type Source
5704401 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21870831 PubMed citation Europe PMC
Last Modified
15 January 2014