| Compound Information | SONAR Target prediction | | Name: | BISABOLOL ACETATE | | Unique Identifier: | SPE00307058 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 236.181 g/mol | | X log p: | 4.408 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | CC(=O)OC(C)(CCC=C(C)C)C1CCC(C)=CC1 | | Class: | sesquiterpene | | Source: | derivative |
| Species: |
4932 |
| Condition: |
LAT1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6643±0.00183848 |
| Normalized OD Score: sc h |
0.9903±0.00327756 |
| Z-Score: |
-0.4755±0.132066 |
| p-Value: |
0.635874 |
| Z-Factor: |
-6.02121 |
| Fitness Defect: |
0.4528 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 11|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.40 Celcius | | Date: | 2008-04-23 YYYY-MM-DD | | Plate CH Control (+): | 0.040374999999999994±0.00052 | | Plate DMSO Control (-): | 0.6574±0.01216 | | Plate Z-Factor: | 0.9373 |
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| 90792 |
2-(6-bicyclo[2.2.1]hept-2-enyl)propan-2-yl acetate |
| 93317 |
2-[(1S)-4-methyl-1-cyclohex-3-enyl]propan-2-yl acetate |
| 106749 |
(2,4-dimethyl-1-cyclohex-3-enyl)methyl acetate |
| 111037 |
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate |
| 112702 |
1-(4,6,6-trimethyl-1-cyclohex-3-enyl)ethyl acetate |
| 174897 |
n/a |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 11864 | Additional Members: 1 | Rows returned: 0 | |
|
