| Compound Information | SONAR Target prediction |
| Name: | BERGAPTEN |
| Unique Identifier: | SPE00300546 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 208.126 g/mol |
| X log p: | 11.189 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 44.76 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 1 |
| Canonical Smiles: | COc1c2ccoc2cc2OC(=O)C=Cc21 |
| Class: | coumarin |
| Source: | widespread in Umbelliferae |
| Reference: | Ber 67: 59 (1934); Chem Pharm Bull 38: 2498 (1990) |
| Therapeutics: | antipsoriatic, antiinflammatory |
| Found: 100 active | as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [100] |
| Species: | 4932 |
| Condition: | ARF1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.4422±0.00947523 |
| Normalized OD Score: sc h | 0.6745±0.00819187 |
| Z-Score: | -15.7714±0.448775 |
| p-Value: | 0 |
| Z-Factor: | 0.591556 |
| Fitness Defect: | INF |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 3 |
| 2355 |
| 68082 |
| 162699 |
| internal high similarity DBLink | Rows returned: 1 |
| SPE00300032 | 1.0000 |
| active | Cluster 13255 | Additional Members: 5 | Rows returned: 1 |
| SPE00300012 | 0.548387096774194 |
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