| Compound Information | SONAR Target prediction |
| Name: | CEDRELONE |
| Unique Identifier: | SPE00100009 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 392.275 g/mol |
| X log p: | 9.314 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 55.9 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 1 |
| Canonical Smiles: | CC1(C)C(=O)C=CC2(C)C3CCC4(C)C(CC5OC54C3(C)C(=O)C(O)=C12)c1cocc1 |
| Class: | limonoid |
| Source: | Cedrela species |
| Reference: | J Chem Soc 1963: 2506, 2515 |
| Found: 196 nonactive | as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [196] |
| Species: | 4932 |
| Condition: | SPE00240740 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5675±0.0152028 |
| Normalized OD Score: sc h | 0.9710±0.00272668 |
| Z-Score: | -1.2534±0.193523 |
| p-Value: | 0.214322 |
| Z-Factor: | -3.94769 |
| Fitness Defect: | 1.5403 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 4 |
| 3083689 |
| 5136005 |
| 6548070 |
| 6708509 |
| internal high similarity DBLink | Rows returned: 1 |
| SPE00100005 | 0.9595 |
| active | Cluster 9059 | Additional Members: 3 | Rows returned: 2 |
| SPE00100005 | 0 |
| LAT001A02 | 0 |
Service provided by the
Mike Tyers Laboratory