| Compound Information | SONAR Target prediction |
| Name: | IMPERATORIN |
| Unique Identifier: | SPE00102076 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 256.169 g/mol |
| X log p: | 13.312 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 44.76 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 3 |
| Canonical Smiles: | CC(C)=CCOc1c2occc2cc2C=CC(=O)Oc12 |
| Class: | coumarin |
| Source: | Angelica & other Umbelliferaceae. |
| Reference: | Ber 66: 1137 (1933); Ghana J Sci 10: 82 (1970) |
| Therapeutics: | anticonvulsant, antiinflammatory |
| Found: 66 nonactive | as graph: single | with analogs | [1] << Back 51 52 53 54 55 56 57 58 59 60 Next >> [66] |
| Species: | 4932 |
| Condition: | RPN1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6221±0.00318198 |
| Normalized OD Score: sc h | 0.9542±0.00171731 |
| Z-Score: | -2.3351±0.134255 |
| p-Value: | 0.0200896 |
| Z-Factor: | -1.27022 |
| Fitness Defect: | 3.9076 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 1 |
| 10212 |
| internal high similarity DBLink | Rows returned: 1 |
| SPE01500400 | 0.9412 |
| active | Cluster 12807 | Additional Members: 6 | Rows returned: 3 |
| SPE00300005 | 0.474576271186441 |
| LAT001C03 | 0.305084745762712 |
| SPE01500400 | 0 |
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