Bioactive Compound Details
| BioID | bio2019 |
|---|---|
| Name | LEVONANTRADOL |
| ChEMBL ID | CHEMBL2111116 |
| Molecular Formula | C27H35NO4 |
| Molecular Weight | 437.58 |
| Molecular Weight (Monoisotopic) | 437.2566 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | LEVONANTRADOL |
| Smiles | CC(=O)Oc1cc(O[C@H](C)CCCc2ccccc2)cc2c1[C@@H]1C[C@H](O)CC[C@H]1[C@H](C)N2 |
| Inchi | InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3/t17-,18+,21-,23+,24-/m1/s1 |
| Inchi Key | FFVXQGMUHIJQAO-BFKQJKLPSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 0.96 |
| Records Key | ['15', 'COVC-3360233270'] |
| Records Name | ['levonantradol', 'LEVONANTRADOL'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
