CHEBI:69375 - cauloside D

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ChEBI Name cauloside D
ChEBI ID CHEBI:69375
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 C53H86O22
Net Charge 0
Average Mass 1075.23670
Monoisotopic Mass 1074.56107
InChI InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1
InChIKey UEHILKCNLIKLEV-LXABABOZSA-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@@](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 cauloside D (CHEBI:69375) has functional parent hederagenin (CHEBI:69579)
cauloside D (CHEBI:69375) has role anti-inflammatory agent (CHEBI:67079)
cauloside D (CHEBI:69375) has role plant metabolite (CHEBI:76924)
cauloside D (CHEBI:69375) is a carboxylic ester (CHEBI:33308)
cauloside D (CHEBI:69375) is a pentacyclic triterpenoid (CHEBI:25872)
cauloside D (CHEBI:69375) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
6-deoxy-α-L-mannopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)-1-O-[(3β)-3-(α-L-arabinopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose
Synonym Source
hederagenin 3-O-α-L-arabinopyranoside 28-O-α-L-rhamnopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl ester ChEBI
Registry Numbers Types Sources
12672-45-6 CAS Registry Number ChemIDplus
5724495 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21870831 PubMed citation Europe PMC
Last Modified
15 January 2014