EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:175291 - Tipredane
| Formula | C22H31FO2S2 |
| Net Charge | 0 |
| Average Mass | 410.620 |
| Monoisotopic Mass | 410.17495 |
| SMILES | [H][C@@]12CC[C@@](SC)(SCC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C |
| InChI | InChI=1S/C22H31FO2S2/c1-5-27-21(26-4)11-9-16-17-7-6-14-12-15(24)8-10-19(14,2)22(17,23)18(25)13-20(16,21)3/h8,10,12,16-18,25H,5-7,9,11,13H2,1-4H3/t16-,17-,18-,19-,20-,21+,22-/m0/s1 |
| InChIKey | DXEXNWDGDYUITL-FXSSSKFRSA-N |
| Roles Classification |
|---|
| Biological Role: | androgen A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tipredane (CHEBI:175291) has role androgen (CHEBI:50113) |
| Tipredane (CHEBI:175291) is a 3-hydroxy steroid (CHEBI:36834) |
| IUPAC Name |
|---|
| (8S,9R,10S,11S,13S,14S,17R)-17-ethylsulanyl-9-luoro-11-hydroxy-10,13-dimethyl-17-methylsulanyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| Registry Numbers | Sources |
|---|---|
| CAS:85197-77-9 | ChemIDplus |