Bioactive Compound Details
| BioID | bio198655 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL498138 |
| Molecular Formula | C9H8Br2O4 |
| Molecular Weight | 339.97 |
| Molecular Weight (Monoisotopic) | 337.8789 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Aeroplysinin-2 |
| Smiles | COC1=C(Br)[C@@H]2OC(=O)C[C@]2(O)C=C1Br |
| Inchi | InChI=1S/C9H8Br2O4/c1-14-7-4(10)2-9(13)3-5(12)15-8(9)6(7)11/h2,8,13H,3H2,1H3/t8-,9+/m0/s1 |
| Inchi Key | ZIWGLWRAFFMGTG-DTWKUNHWSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 3.06 |
| Records Key | ['8', '120'] |
| Records Name | ['aeroplysinin-2', 'Aeroplysinin-2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
