| Compound Information | SONAR Target prediction |
| Name: | HEMATEIN |
| Unique Identifier: | SPE01502253 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 288.168 g/mol |
| X log p: | 8.273 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 26.3 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | Oc1ccc2c(OCC3(O)Cc4cc(=O)c(O)cc4=C23)c1O |
| Class: | benzopyran |
| Source: | logwood, Haematoxylon spp. |
| Reference: | J Chem Soc 93: 115 (1908) |
| Found: 32 active | as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [32] |
| Species: | 4932 |
| Condition: | SPE01500521 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.0804±0.00876812 |
| Normalized OD Score: sc h | 1.2867±0.0471948 |
| Z-Score: | 4.6601±0.322406 |
| p-Value: | 0.0000051739 |
| Z-Factor: | -3.14592 |
| Fitness Defect: | 12.1719 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 1 |
| 10138 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 968 | Additional Members: 2 | Rows returned: 0 |
Service provided by the
Mike Tyers Laboratory