Bioactive Compound Details
| BioID | bio198741 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL242211 |
| Molecular Formula | C21H30O2 |
| Molecular Weight | 314.47 |
| Molecular Weight (Monoisotopic) | 314.2246 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Isopropylestradiol |
| Smiles | CC(C)c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 |
| Inchi | InChI=1S/C21H30O2/c1-12(2)16-11-17-13(10-19(16)22)4-5-15-14(17)8-9-21(3)18(15)6-7-20(21)23/h10-12,14-15,18,20,22-23H,4-9H2,1-3H3/t14-,15+,18-,20-,21-/m0/s1 |
| Inchi Key | BOVYOICPMDWTMP-DCHLLWBOSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 2.11 |
| Records Key | ['21'] |
| Records Name | ['2-isopropylestradiol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
