| Compound Information | SONAR Target prediction | | Name: | DIOSMETIN | | Unique Identifier: | SPE01504068 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C16H12O6 | | Molecular Weight: | 288.168 g/mol | | X log p: | 13.032 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 35.53 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 6 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | COc1ccc(cc1O)C1Oc2cc(O)cc(O)c2C(=O)C=1 | | Source: | ex Valeriana, Digitalis spp | | Reference: | J Indian Chem Soc 31: 565 (1954) |
| Species: |
4932 |
| Condition: |
MDH1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7297±0.0455377 |
| Normalized OD Score: sc h |
0.9127±0.0274447 |
| Z-Score: |
-4.9219±0.999275 |
| p-Value: |
0.0000124802 |
| Z-Factor: |
-1.14966 |
| Fitness Defect: |
11.2914 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 23|C5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.20 Celcius | | Date: | 2007-08-07 YYYY-MM-DD | | Plate CH Control (+): | 0.041575±0.00084 | | Plate DMSO Control (-): | 0.766125±0.04177 | | Plate Z-Factor: | 0.8905 |
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| DBLink | Rows returned: 2 | |
| 5281612 |
5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one |
| 5491353 |
2-(3,5-dihydroxy-4-methoxy-phenyl)-5,7-dihydroxy-chromen-4-one |
| internal high similarity DBLink | Rows returned: 18 | 1 2 3 Next >> |
| active | Cluster 13276 | Additional Members: 6 | Rows returned: 1 | |
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