CHEBI:69365 - 3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside

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ChEBI Name 3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside
ChEBI ID CHEBI:69365
ChEBI ASCII Name 3beta,6beta,23-trihydroxyolean-12-en-28-oic acid 28-O-beta-D-glucopyranoside
Definition A triterpenoid saponin that is the monosaccharide derivative of (3β,6β)-3,6,23-trihydroxyolean-12-en-28-oic acid. It has been isolated from the stem bark of Kalopanax pictus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C36H58O10
Net Charge 0
Average Mass 650.83970
Monoisotopic Mass 650.40300
InChI InChI=1S/C36H58O10/c1-31(2)11-13-36(30(44)46-29-27(43)26(42)25(41)22(17-37)45-29)14-12-34(5)19(20(36)15-31)7-8-23-32(3)10-9-24(40)33(4,18-38)28(32)21(39)16-35(23,34)6/h7,20-29,37-43H,8-18H2,1-6H3/t20-,21+,22+,23+,24-,25+,26-,27+,28+,29-,32+,33+,34+,35+,36-/m0/s1
InChIKey ACQGRYACYVKOBB-ONXNPAKPSA-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]5[C@H](O)C[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
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 3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) has parent hydride oleanane (CHEBI:36481)
3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) has role anti-inflammatory agent (CHEBI:67079)
3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) has role plant metabolite (CHEBI:76924)
3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) is a β-D-glucoside (CHEBI:22798)
3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) is a carboxylic ester (CHEBI:33308)
3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) is a monosaccharide derivative (CHEBI:63367)
3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) is a pentacyclic triterpenoid (CHEBI:25872)
3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) is a triol (CHEBI:27136)
3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
1-O-[(3β,6β)-3,6,23-trihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose
Registry Number Type Source
21902580 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21870831 PubMed citation Europe PMC
Last Modified
09 January 2014