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: |
TOP1 |
Replicates: |
2 |
Raw OD Value: r im |
0.3086±0.021991 |
Normalized OD Score: sc h |
1.0114±0.00905459 |
Z-Score: |
0.0969±0.0725651 |
p-Value: |
0.922938 |
Z-Factor: |
-7.59005 |
Fitness Defect: |
0.0802 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 4|B7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.50 Celcius | Date: | 2006-04-25 YYYY-MM-DD | Plate CH Control (+): | 0.041525±0.00219 | Plate DMSO Control (-): | 0.368525±0.01355 | Plate Z-Factor: | 0.8166 |
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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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