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CHEBI:63508 - oleandrigenin
| Formula | C25H36O6 |
| Net Charge | 0 |
| Average Mass | 432.557 |
| Monoisotopic Mass | 432.25119 |
| SMILES | [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC(C)=O)C[C@]34O)[C@@]1(C)CC[C@H](O)C2 |
| InChI | InChI=1S/C25H36O6/c1-14(26)31-20-12-25(29)19-5-4-16-11-17(27)6-8-23(16,2)18(19)7-9-24(25,3)22(20)15-10-21(28)30-13-15/h10,16-20,22,27,29H,4-9,11-13H2,1-3H3/t16-,17+,18+,19-,20+,22+,23+,24-,25+/m1/s1 |
| InChIKey | IWCNCUVTGOMGKG-YOVVEKLRSA-N |
| Roles Classification |
|---|
| Biological Roles: | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of Na+/K+-transporting ATPase (EC 3.6.3.9). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| oleandrigenin (CHEBI:63508) has functional parent gitoxigenin (CHEBI:38105) |
| oleandrigenin (CHEBI:63508) has role EC 3.6.3.9 (Na+/K+-transporting ATPase) inhibitor (CHEBI:63510) |
| oleandrigenin (CHEBI:63508) has role metabolite (CHEBI:25212) |
| oleandrigenin (CHEBI:63508) is a 14β-hydroxy steroid (CHEBI:36862) |
| oleandrigenin (CHEBI:63508) is a 3β-hydroxy steroid (CHEBI:36836) |
| oleandrigenin (CHEBI:63508) is a steroid ester (CHEBI:47880) |
| Incoming Relation(s) |
| oleandrin (CHEBI:59030) has functional parent oleandrigenin (CHEBI:63508) |
| IUPAC Name |
|---|
| (3β,5β,16β)-16-acetoxy-3,14-dihydroxycard-20(22)-enolide |
| Synonyms | Source |
|---|---|
| 16-Acetylgitoxigenin | ChEBI |
| 16-O-acetylgitoxigenin | ChEBI |
| 16β-acetoxy-3β,14-dihydroxy-5β,14β-card-20(22)-enolide | ChEBI |
| 3beta,14,16beta-Trihydroxy-5-betacard-20(22)-enolide 16-acetate | ChEBI |
| Gitoxigenin 16-acetate | ChEBI |
| Oleandrisenin | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:98733 | Reaxys |
| CAS:465-15-6 | ChemIDplus |
| Citations |
|---|