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CHEBI:67947 - hederagenin 28-O-β-D-glucopyranoside
| Formula | C36H58O9 |
| Net Charge | 0 |
| Average Mass | 634.851 |
| Monoisotopic Mass | 634.40808 |
| SMILES | [H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(C)CO |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Juglans sinensis (ncbitaxon:442437-1) | |||
| leaf (BTO:0000713) | PubMed (21309591) | 80% Methanolic extract of dried leaves and twigs | |
| twig (BTO:0001411) | PubMed (21309591) | 80% Methanolic extract of dried leaves and twigs | |
| Kalopanax pictus (ncbitaxon:46399) | stem (BTO:0001300) | PubMed (21870831) | Previous component: stem bark; Hot MeOH extract of dried stem bark |
| Roles Classification |
|---|
| Biological Roles: | 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. |
| Application: | anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 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) |
| hederagenin 28-O-β-D-glucopyranoside (CHEBI:67947) is a β-D-glucoside (CHEBI:22798) |
| 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 Numbers | Sources |
|---|---|
| Reaxys:5686800 | Reaxys |
| Citations |
|---|