Bioactive Compound Details
| BioID | bio198552 |
|---|---|
| Name | NOOTKASTATIN 2 |
| ChEMBL ID | CHEMBL458910 |
| Molecular Formula | C23H36O3 |
| Molecular Weight | 360.54 |
| Molecular Weight (Monoisotopic) | 360.2664 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Nootkastatin 2 |
| Smiles | CC(C)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)c2ccc(O)c(C(C)C)c2O1 |
| Inchi | InChI=1S/C23H36O3/c1-14(2)20-17(24)10-9-16-21(20)26-19(25-15(3)4)13-18-22(5,6)11-8-12-23(16,18)7/h9-10,14-15,18-19,24H,8,11-13H2,1-7H3/t18-,19-,23+/m0/s1 |
| Inchi Key | DQQSNOMAPLESJP-SFYKDHMMSA-N |
| Molecular Species | NEUTRAL |
| Targets | 22.0 |
| Bioactivities | 40.0 |
| Np Likeness Score | 2.27 |
| Records Key | ['5'] |
| Records Name | ['Nootkastatin 2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
