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CHEBI:9595 - tigogenin
| Formula | C27H44O3 |
| Net Charge | 0 |
| Average Mass | 416.646 |
| Monoisotopic Mass | 416.32905 |
| SMILES | [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O)C2 |
| InChI | InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChIKey | GMBQZIIUCVWOCD-MFRNJXNGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Yucca (ncbitaxon:39550) | - | PubMed (11529418) | |
| Agave lecheguilla (ncbitaxon:39513) | - | DOI (10.1111/are.14497) | |
| Solanum scabrum (ncbitaxon:795974) | - | PubMed (30693503) | |
| Digitalis lanata (ncbitaxon:49450) | - | DOI (10.1016/S0031-9422(00)82400-0) |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Application: | gout suppressant A drug that increases uric acid excretion by the kidney (uricosuric drug), decreases uric acid production (antihyperuricemic), or alleviates the pain and inflammation of acute attacks of gout. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tigogenin (CHEBI:9595) has role gout suppressant (CHEBI:35845) |
| tigogenin (CHEBI:9595) has role plant metabolite (CHEBI:76924) |
| tigogenin (CHEBI:9595) is a sapogenin (CHEBI:26606) |
| Incoming Relation(s) |
| tigogenin 3-O-β-D-glucopyranoside (CHEBI:166995) has functional parent tigogenin (CHEBI:9595) |
| IUPAC Name |
|---|
| (25R)-5α-spirostan-3β-ol |
| Synonyms | Source |
|---|---|
| (3-β,5α,25R)-spirostan-3-ol | ChemIDplus |
| (5α,25R)-spirostan-3β-ol | ChemIDplus |
| 5-epi-sarsasapogenin | FooDB |
| UniProt Name | Source |
|---|---|
| tigogenin | UniProt |
| Citations |
|---|