| Compound Information | SONAR Target prediction |
| Name: | DIHYDRO-OBLIQUIN |
| Unique Identifier: | SPE00100543 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C14H14O4 |
| Molecular Weight: | 232.147 g/mol |
| X log p: | 9.123 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 44.76 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 1 |
| Canonical Smiles: | CC(C)C1COc2cc3OC(=O)C=Cc3cc2O1 |
| Source: | derivative |
| Reference: | J Chem Soc 1966: 114 |
| Found: 11 nonactive | as graph: single | with analogs | << Back 1 2 3 4 5 6 7 8 9 10 Next >> |
| Species: | 4932 |
| Condition: | MDH1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7366±0.0225567 |
| Normalized OD Score: sc h | 0.9453±0.0238973 |
| Z-Score: | -3.0646±1.01059 |
| p-Value: | 0.00946454 |
| Z-Factor: | -15.8459 |
| Fitness Defect: | 4.6602 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 1 |
| 3503044 |
| internal high similarity DBLink | Rows returned: 1 |
| SPE00100540 | 0.9672 |
| active | Cluster 302 | Additional Members: 10 | Rows returned: 3 |
| LAT001E05 | 0.533333333333333 |
| SPE01504164 | 0.485714285714286 |
| SPE00100540 | 0.456140350877193 |
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