| Compound Information | SONAR Target prediction | | Name: | CEDRYL ACETATE | | Unique Identifier: | SPE00310015 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 237.189 g/mol | | X log p: | 0.538 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC1CCC2C(C)(C)C3CC12CCC3(C)OC(C)=O | | Class: | sesquiterpene | | Source: | semisynthetic |
| Species: |
4932 |
| Condition: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7068±0.00226274 |
| Normalized OD Score: sc h |
1.0125±0.000488649 |
| Z-Score: |
0.6778±0.0163275 |
| p-Value: |
0.497946 |
| Z-Factor: |
-3.91762 |
| Fitness Defect: |
0.6973 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 7|C8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.90 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.041675000000000004±0.00061 | | Plate DMSO Control (-): | 0.68065±0.01793 | | Plate Z-Factor: | 0.9085 |
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ps
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| 6432249 |
[(1R,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] acetate |
| 6432436 |
[(3S,5S)-17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H
-cyclopenta[a]phenanthren-3-yl] acetate |
| 6432523 |
[(1S,2S,5S)-2-methyl-5-propan-2-yl-cyclohexyl] acetate |
| 6432710 |
n/a |
| 6432822 |
[(3R,10S,13R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahy
dro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 6453445 |
n/a |
| internal high similarity DBLink | Rows returned: 6 | |
| active | Cluster 4444 | Additional Members: 3 | Rows returned: 1 | |
|
