Bioactive Compound Details
| BioID | bio199078 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1835547 |
| Molecular Formula | C19H22O3 |
| Molecular Weight | 298.38 |
| Molecular Weight (Monoisotopic) | 298.1569 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Formylestrone |
| Smiles | C[C@]12CC[C@@H]3c4cc(C=O)c(O)cc4CC[C@H]3[C@@H]1CCC2=O |
| Inchi | InChI=1S/C19H22O3/c1-19-7-6-13-14(16(19)4-5-18(19)22)3-2-11-9-17(21)12(10-20)8-15(11)13/h8-10,13-14,16,21H,2-7H2,1H3/t13-,14+,16-,19-/m0/s1 |
| Inchi Key | NPDLEHWKNOIADX-MVWRLGRASA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 2.07 |
| Records Key | ['6', '568'] |
| Records Name | ['2-Formylestrone', '(8R,9S,13S,14S)-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-2-carbaldehyde'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
