| Compound Information | SONAR Target prediction |
| Name: | BEBEERINE |
| Unique Identifier: | SPE01503984 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C35H36N2O7 |
| Molecular Weight: | 560.384 g/mol |
| X log p: | 23.052 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 52.63 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 9 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | COc1cc2CCN(C)C3Oc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c32)cc7)N(C)CCc6cc5OC) c4 |
| Source: | ex Aristolochia, Chondodendron & Cyclea spp |
| Reference: | J Chem Soc 1939: 1157; JACS 68: 419 (1946); Phytochemistry 8: 2341 (1969) |
| Therapeutics: | antimalarial, muscle relaxant |
| Found: 101 nonactive as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [101] |
| Species: | 4932 |
| Condition: | BEM2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6575±0.0079196 |
| Normalized OD Score: sc h | 0.9990±0.00443716 |
| Z-Score: | -0.0508±0.237649 |
| p-Value: | 0.86672 |
| Z-Factor: | -47.2582 |
| Fitness Defect: | 0.143 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 2 |
| 3583078 |
| 6708697 |
| internal high similarity DBLink | Rows returned: 0 |
| nonactive | Cluster 3866 | Additional Members: 5 | Rows returned: 2 |
| Prest489 | 0.170212765957447 |
| SPE01500602 | 0 |
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