| Compound Information | SONAR Target prediction | | Name: | BAICALEIN | | Unique Identifier: | SPE01504002 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 260.158 g/mol | | X log p: | 15.555 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | Oc1cc2OC(=CC(=O)c2c(O)c1O)c1ccccc1 | | Class: | flavone | | Source: | Scutellaria baicalensis | | Reference: | Gazz Chim acta 49 (II): 47 (1919); Acta Phytochim 1: 109 (1923); Phytochemistry 10:
3298 (1971) | | Therapeutics: | antiviral (HIV) |
| Species: |
4932 |
| Condition: |
BIM1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5214±0.013435 |
| Normalized OD Score: sc h |
0.7362±0.0103843 |
| Z-Score: |
-13.5749±1.64106 |
| p-Value: |
1.09002e-35 |
| Z-Factor: |
0.635135 |
| Fitness Defect: |
80.5043 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 1|E6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.60 Celcius | | Date: | 2008-06-24 YYYY-MM-DD | | Plate CH Control (+): | 0.040975±0.00431 | | Plate DMSO Control (-): | 0.68025±0.01489 | | Plate Z-Factor: | 0.8995 |
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| DBLink | Rows returned: 2 | |
| 5281605 |
5,6,7-trihydroxy-2-phenyl-chromen-4-one |
| 5702782 |
5,6,7-trihydroxy-2-phenyl-chromen-4-one hydrate |
| internal high similarity DBLink | Rows returned: 16 | << Back 1 2 3 |
| active | Cluster 13173 | Additional Members: 13 | Rows returned: 2 | |
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