| Compound Information | SONAR Target prediction |
| Name: | 4-METHOXYDALBERGIONE |
| Unique Identifier: | SPE00201092 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 240.169 g/mol |
| X log p: | 16.544 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 43.37 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | COc1cc(=O)c(cc1=O)C(C=C)c1ccccc1 |
| Class: | quinone |
| Source: | Dalbergia retusa and D. nigra |
| Reference: | Phytochemistry 17: 1395 (1978); Tetrahedron 21: 2683 (1965) |
| Found: 443 nonactive | as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [443] |
| Species: | 4932 |
| Condition: | SPE00240740 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5756±0.0203647 |
| Normalized OD Score: sc h | 1.0093±0.00676264 |
| Z-Score: | 0.3916±0.267559 |
| p-Value: | 0.700482 |
| Z-Factor: | -8.02364 |
| Fitness Defect: | 0.356 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 1 |
| 99926 | 2-methoxy-5-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 2012 | Additional Members: 3 | Rows returned: 1 |
| SPE00201448 | 0 |
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