| Compound Information | SONAR Target prediction | | Name: | PSEUDOBAPTIGENIN | | Unique Identifier: | SPE01600568 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 272.168 g/mol | | X log p: | 15.443 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 44.76 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | Oc1ccc2C(=O)C(=COc2c1)c1ccc2OCOc2c1 | | Source: | Baptisia, Cladrastis, Dalbergia & Trifolium spp; also Maackia, Pisum, Pterocarpus
spp | | Reference: | J Chem Soc 1953: 1582 |
| Species: |
4932 |
| Condition: |
QCR8 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6273±0.014425 |
| Normalized OD Score: sc h |
0.9745±0.00880848 |
| Z-Score: |
-1.0554±0.364414 |
| p-Value: |
0.307076 |
| Z-Factor: |
-2.56007 |
| Fitness Defect: |
1.1807 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|E6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.90 Celcius | | Date: | 2008-04-25 YYYY-MM-DD | | Plate CH Control (+): | 0.039775000000000005±0.00128 | | Plate DMSO Control (-): | 0.63675±0.01281 | | Plate Z-Factor: | 0.9384 |
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| DBLink | Rows returned: 1 | |
| 5281805 |
3-benzo[1,3]dioxol-5-yl-7-hydroxy-chromen-4-one |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 8155 | Additional Members: 16 | Rows returned: 3 | |
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