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: |
SPE00201092 |
Replicates: |
2 |
Raw OD Value: r im |
0.6129±0.0472347 |
Normalized OD Score: sc h |
0.9883±0.00747805 |
Z-Score: |
-0.1985±0.14885 |
p-Value: |
0.843498 |
Z-Factor: |
-5.12211 |
Fitness Defect: |
0.1702 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SpectrumTMP | Plate Number and Position: | 1|D4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.20 Celcius | Date: | 2006-11-17 YYYY-MM-DD | Plate CH Control (+): | 0.041775±0.00208 | Plate DMSO Control (-): | 0.6874±0.04645 | Plate Z-Factor: | 0.8348 |
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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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