| Compound Information | SONAR Target prediction | | Name: | DIHYDROMUNDULETONE | | Unique Identifier: | SPE00210203 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C25H28O6 | | Molecular Weight: | 396.264 g/mol | | X log p: | 12.387 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 44.76 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 6 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | COc1c(CC(=O)c2cc3CC(O)C(C)(C)Oc3cc2O)ccc2OC(C)(C)C=Cc21 | | Source: | derivative of mundulone | | Reference: | Proc Chem Soc 1959: 150 |
| Species: |
4932 |
| Condition: |
IDH2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5686±0.00806102 |
| Normalized OD Score: sc h |
0.9958±0.00569349 |
| Z-Score: |
-0.2134±0.290437 |
| p-Value: |
0.834462 |
| Z-Factor: |
-14.0169 |
| Fitness Defect: |
0.181 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|B7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.90 Celcius | | Date: | 2007-10-19 YYYY-MM-DD | | Plate CH Control (+): | 0.040625±0.00072 | | Plate DMSO Control (-): | 0.5622±0.04923 | | Plate Z-Factor: | 0.6809 |
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| DBLink | Rows returned: 1 | |
| 3492326 |
1-(3,7-dihydroxy-2,2-dimethyl-chroman-6-yl)-2-(5-methoxy-2,2-dimethyl-chromen-6-yl)ethanone |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2161 | Additional Members: 6 | Rows returned: 2 | |
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