| Compound Information | SONAR Target prediction | | Name: | MORIN | | Unique Identifier: | SPE01502259 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 292.156 g/mol | | X log p: | 11.09 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 7 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | Oc1ccc(c(O)c1)C1Oc2cc(O)cc(O)c2C(=O)C=1O | | Class: | flavone | | Source: | Chlorophora tinctoria | | Reference: | J Chem Soc 67: 649 (1895) | | Therapeutics: | P450 and ATPase inhibitor |
| Species: |
4932 |
| Condition: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7384±0.000636396 |
| Normalized OD Score: sc h |
1.0051±0.00331018 |
| Z-Score: |
0.2685±0.170153 |
| p-Value: |
0.78977 |
| Z-Factor: |
-9.49465 |
| Fitness Defect: |
0.236 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 5|F4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.70 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.0402±0.00073 | | Plate DMSO Control (-): | 0.7159±0.01647 | | Plate Z-Factor: | 0.9139 |
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| 3365422 |
calcium [2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxoniumylidene-chromen-5-yl]oxidanium |
| 5281670 |
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one |
| 5478571 |
3,7-dihydroxy-2-(4-hydroxy-2-oxido-phenyl)-4-oxo-chromen-5-olate; titanium(+4) cation |
| 5841189 |
[5-oxonio-2-(3,5,7-trihydroxy-4-oxo-chromen-2-yl)phenyl]oxidanium; titanium |
| 6711742 |
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one; titanium |
| 11980426 |
3,7-dihydroxy-2-(4-hydroxy-2-oxido-phenyl)-4-oxoniumylidene-chromen-5-olate; titanium |
| internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
| active | Cluster 10732 | Additional Members: 22 | Rows returned: 7 | 1 2 Next >> |
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