CHEBI:67947 - hederagenin 28-O-β-D-glucopyranoside

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ChEBI Name hederagenin 28-O-β-D-glucopyranoside
ChEBI ID CHEBI:67947
ChEBI ASCII Name hederagenin 28-O-beta-D-glucopyranoside
Definition A triterpenoid saponin that is the carboxylic ester obtained by the formal condensation of the carboxy group of hederagenin with β-D-glucopyranose. It has been isolated from Juglans sinensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H58O9
Net Charge 0
Average Mass 634.84030
Monoisotopic Mass 634.40808
InChI InChI=1S/C36H58O9/c1-31(2)13-15-36(30(43)45-29-28(42)27(41)26(40)22(18-37)44-29)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(39)33(4,19-38)23(32)9-12-35(24,34)6/h7,21-29,37-42H,8-19H2,1-6H3/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32-,33-,34+,35+,36-/m0/s1
InChIKey WJMMBVSOQPALFO-DLQTVUGOSA-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](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Juglans sinensis (NCBI:txid442437-1) Found in twig (BTO:0001411). 80% Methanolic extract of dried leaves and twigs See: PubMed
Juglans sinensis (NCBI:txid442437-1) Found in leaf (BTO:0000713). 80% Methanolic extract of dried leaves and twigs See: PubMed
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 hederagenin 28-O-β-D-glucopyranoside (CHEBI:67947) has functional parent hederagenin (CHEBI:69579)
hederagenin 28-O-β-D-glucopyranoside (CHEBI:67947) has parent hydride oleanane (CHEBI:36481)
hederagenin 28-O-β-D-glucopyranoside (CHEBI:67947) has role anti-inflammatory agent (CHEBI:67079)
hederagenin 28-O-β-D-glucopyranoside (CHEBI:67947) has role plant metabolite (CHEBI:76924)
hederagenin 28-O-β-D-glucopyranoside (CHEBI:67947) is a β-D-glucoside (CHEBI:22798)
hederagenin 28-O-β-D-glucopyranoside (CHEBI:67947) is a carboxylic ester (CHEBI:33308)
hederagenin 28-O-β-D-glucopyranoside (CHEBI:67947) is a monosaccharide derivative (CHEBI:63367)
hederagenin 28-O-β-D-glucopyranoside (CHEBI:67947) is a pentacyclic triterpenoid (CHEBI:25872)
hederagenin 28-O-β-D-glucopyranoside (CHEBI:67947) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
1-O-[3β,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose
Synonym Source
hederagenin 28-O-β-D-glucopyranosyl ester ChEBI
Registry Number Type Source
5686800 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21309591 PubMed citation Europe PMC
21870831 PubMed citation Europe PMC
Last Modified
20 January 2014