| Compound Information | SONAR Target prediction |
| Name: | OBLIQUIN |
| Unique Identifier: | SPE00100540 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 232.147 g/mol |
| X log p: | 9.126 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 44.76 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 1 |
| Canonical Smiles: | CC(=C)C1COc2cc3OC(=O)C=Cc3cc2O1 |
| Class: | coumarin |
| Source: | sneezewood or umtati, Ptaeroxylon Obliquum |
| Reference: | J Chem Soc 1966: 114 |
| Found: 71 nonactive | as graph: single | with analogs | [1] << Back 51 52 53 54 55 56 57 58 59 60 Next >> [71] |
| Species: | 4932 |
| Condition: | SPT3 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.4048±0.0457498 |
| Normalized OD Score: sc h | 0.7751±0.0556428 |
| Z-Score: | -3.3558±0.778451 |
| p-Value: | 0.0025597 |
| Z-Factor: | -0.150372 |
| Fitness Defect: | 5.9679 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 2 |
| 5018929 |
| 6708593 |
| internal high similarity DBLink | Rows returned: 1 |
| SPE00100543 | 0.9672 |
| active | Cluster 302 | Additional Members: 10 | Rows returned: 3 |
| LAT001E05 | 0.533333333333333 |
| SPE00100543 | 0.533333333333333 |
| SPE01504164 | 0.485714285714286 |
Service provided by the
Mike Tyers Laboratory