| Compound Information | SONAR Target prediction |
| Name: | DIHYDROPTAEROXYLIN |
| Unique Identifier: | SPE00100719 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C15H16O4 |
| Molecular Weight: | 244.158 g/mol |
| X log p: | 4.714 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 35.53 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | CC1CCc2c(O)c3C(=O)C=C(C)Oc3cc2OC1 |
| Source: | mp 84-87; derivative of Ptaeroxylin (00100514) |
| Reference: | Tet Letters 1967: 3459 |
| Found: 57 active | as graph: single | with analogs | [1] << Back 31 32 33 34 35 36 37 38 39 40 Next >> [57] |
| Species: | 4932 |
| Condition: | MCK1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.4381±0.00806102 |
| Normalized OD Score: sc h | 0.7192±0.0134661 |
| Z-Score: | -11.9318±0.362457 |
| p-Value: | 8.5175e-32 |
| Z-Factor: | -1.55338 |
| Fitness Defect: | 71.5406 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 1 |
| 612556 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 4376 | Additional Members: 4 | Rows returned: 2 |
| SPE00200447 | 0.542372881355932 |
| SPE00100513 | 0.419354838709677 |
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