| Compound Information | SONAR Target prediction |
| Name: | PTAEROXYLIN |
| Unique Identifier: | SPE00100513 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 244.158 g/mol |
| X log p: | 6.787 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 35.53 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | CC1COc2cc3OC(C)=CC(=O)c3c(O)c2CC=1 |
| Class: | chromone |
| Source: | Ptaeroxylon obliquum, Cedrelopsis grevei |
| Reference: | J Chem Soc (C) 1966:114; 1967:145; Tet Lett 1967:3459 |
| Found: 577 nonactive | as graph: single | with analogs | [1] << Back 561 562 563 564 565 566 567 568 569 570 Next >> [577] |
| Species: | 4932 |
| Condition: | RVS167 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6933±0.0019799 |
| Normalized OD Score: sc h | 0.9569±0.0022052 |
| Z-Score: | -2.3968±0.0360819 |
| p-Value: | 0.0165745 |
| Z-Factor: | -1.1712 |
| Fitness Defect: | 4.0999 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 1 |
| 3646533 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 4376 | Additional Members: 4 | Rows returned: 2 |
| SPE00200447 | 0.542372881355932 |
| SPE00100719 | 0 |
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