Bioactive Compound Details
| BioID | bio198543 |
|---|---|
| Name | 3BETA,17ALPHA-DIHYDROXY-16ALPHA-(2-HYDROXY ETHOXY)PREGN-5-EN-20-ONE |
| ChEMBL ID | CHEMBL2261229 |
| Molecular Formula | C23H36O5 |
| Molecular Weight | 392.54 |
| Molecular Weight (Monoisotopic) | 392.2563 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | None |
| Smiles | CC(=O)[C@@]1(O)[C@H](OCCO)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C |
| Inchi | InChI=1S/C23H36O5/c1-14(25)23(27)20(28-11-10-24)13-19-17-5-4-15-12-16(26)6-8-21(15,2)18(17)7-9-22(19,23)3/h4,16-20,24,26-27H,5-13H2,1-3H3/t16-,17+,18-,19-,20+,21-,22-,23+/m0/s1 |
| Inchi Key | FBGJGNGEKNRRDL-QHKUYLHMSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 11.0 |
| Np Likeness Score | 2.37 |
| Records Key | ['16'] |
| Records Name | ['3beta,17alpha-Dihydroxy-16alpha-(2-hydroxy ethoxy)pregn-5-en-20-one'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
