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: |
SWC5 |
Replicates: |
2 |
Raw OD Value: r im |
0.6457±0.00848528 |
Normalized OD Score: sc h |
0.9959±0.0102592 |
Z-Score: |
-0.2036±0.490899 |
p-Value: |
0.733852 |
Z-Factor: |
-44.7772 |
Fitness Defect: |
0.3094 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 11|F3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.80 Celcius | Date: | 2008-06-19 YYYY-MM-DD | Plate CH Control (+): | 0.0397±0.00055 | Plate DMSO Control (-): | 0.63965±0.02547 | Plate Z-Factor: | 0.8666 |
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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 | |
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