| 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: |
SER1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4839±0.000636396 |
| Normalized OD Score: sc h |
0.8458±0.00126701 |
| Z-Score: |
-4.8582±0.173262 |
| p-Value: |
0.00000140855 |
| Z-Factor: |
-0.392259 |
| Fitness Defect: |
13.4729 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 7|C8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.70 Celcius | | Date: | 2007-09-17 YYYY-MM-DD | | Plate CH Control (+): | 0.039675±0.00042 | | Plate DMSO Control (-): | 0.5687500000000001±0.03760 | | Plate Z-Factor: | 0.7716 |
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ps
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| 221745 |
(2-cyclohexylcyclohexyl) acetate |
| 222828 |
[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-12-acetyloxy-17-[(2R)-4-hydroxybutan-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 |
| 224008 |
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahy
dro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 226596 |
(2,5-diethylcyclopentyl) acetate |
| 227634 |
(6-acetyloxy-3,7-dimethyl-octyl) acetate |
| 228141 |
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl acetate |
| internal high similarity DBLink | Rows returned: 6 | |
| active | Cluster 4444 | Additional Members: 3 | Rows returned: 1 | |
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