| Compound Information | SONAR Target prediction |
| Name: | BRAZILEIN |
| Unique Identifier: | SPE00200463 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 272.168 g/mol |
| X log p: | 9.862 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 26.3 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | Oc1ccc2c(OCC3(O)Cc4cc(=O)c(O)cc4=C23)c1 |
| Class: | quinone methide |
| Source: | Caesalpinia spp |
| Reference: | Phytochemistry 46: 177 (1997) |
| Found: 205 nonactive as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | BCK2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7738±0.00565685 |
| Normalized OD Score: sc h | 1.0141±0.00372113 |
| Z-Score: | 0.5875±0.0833956 |
| p-Value: | 0.557528 |
| Z-Factor: | -2.15193 |
| Fitness Defect: | 0.5842 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 1 |
| 6453902 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 968 | Additional Members: 2 | Rows returned: 1 |
| SPE01502253 | 0 |
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