EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:177658 - Ganaxolone
| Formula | C22H36O2 |
| Net Charge | 0 |
| Average Mass | 332.528 |
| Monoisotopic Mass | 332.27153 |
| SMILES | [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](C(C)=O)CC[C@@]34[H])[C@@]1(C)CC[C@@](C)(O)C2 |
| InChI | InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1 |
| InChIKey | PGTVWKLGGCQMBR-FLBATMFCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | Sausage (ENVO:00002166) | MetaboLights (MTBLS2871) |
| Roles Classification |
|---|
| Biological Role: | hormone Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds. |
| Applications: | antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. antispasmodic drug A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder. anticonvulsant A drug used to prevent seizures or reduce their severity. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ganaxolone (CHEBI:177658) has role anticonvulsant (CHEBI:35623) |
| Ganaxolone (CHEBI:177658) has role antidepressant (CHEBI:35469) |
| Ganaxolone (CHEBI:177658) has role antispasmodic drug (CHEBI:53784) |
| Ganaxolone (CHEBI:177658) is a corticosteroid hormone (CHEBI:36699) |
| IUPAC Name |
|---|
| 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone |
| INN | Source |
|---|---|
| ganaxolona | WHO MedNet |
| Synonyms | Source |
|---|---|
| CCD 1042 | ChEMBL |
| CCD-1042 | ChEMBL |
| CCD1042 | ChEMBL |
| DEA NO. 2401 | ChEMBL |
| Ganaxolone | ChEMBL |
| Ztalmy | ChEMBL |
| Registry Numbers | Sources |
|---|---|
| CAS:38398-32-2 | ChemIDplus |
| Citations |
|---|