| Compound Information | SONAR Target prediction |
| Name: | PRENYLETIN |
| Unique Identifier: | SPE00100101 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 232.147 g/mol |
| X log p: | 10.873 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 35.53 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 3 |
| Canonical Smiles: | CC(C)=CCOc1cc2OC(=O)C=Cc2cc1O |
| Class: | coumarin |
| Source: | Ptaeroxylon obliquum |
| Reference: | J Chem Soc (C) 1967:145; Tet Lett 1967:2147 |
| Found: 50 active | as graph: single | with analogs | [1] << Back 31 32 33 34 35 36 37 38 39 40 Next >> [50] |
| Species: | 4932 |
| Condition: | SER1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.4493±0.0576999 |
| Normalized OD Score: sc h | 0.7201±0.0756274 |
| Z-Score: | -8.8534±2.62528 |
| p-Value: | 0.00000000000130747 |
| Z-Factor: | -1.86873 |
| Fitness Defect: | 27.3629 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 1 |
| 3873459 | 6-hydroxy-7-(3-methylbut-2-enoxy)chromen-2-one |
| internal high similarity DBLink | Rows returned: 0 |
| nonactive | Cluster 14605 | Additional Members: 7 | Rows returned: 3 |
| SPE01504168 | 0.573770491803279 |
| SPE01502242 | 0 |
| Prest1125 | 0 |
Service provided by the
Mike Tyers Laboratory