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: |
SSB2 |
Replicates: |
2 |
Raw OD Value: r im |
0.6836±0.00403051 |
Normalized OD Score: sc h |
0.9844±0.0109369 |
Z-Score: |
-0.8619±0.603601 |
p-Value: |
0.430496 |
Z-Factor: |
-5.35356 |
Fitness Defect: |
0.8428 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 11|F3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.10 Celcius | Date: | 2008-05-29 YYYY-MM-DD | Plate CH Control (+): | 0.040325±0.00086 | Plate DMSO Control (-): | 0.6802250000000001±0.01564 | Plate Z-Factor: | 0.9260 |
| png ps pdf |
6708663 |
[(2S)-6-methyl-2-(4-methyl-1-cyclohex-3-enyl)hept-5-en-2-yl] acetate |
6931855 |
[(1R,4R,7S)-7-bicyclo[2.2.2]oct-2-enyl]methyl acetate |
7036704 |
[(1R,4R,7R)-7-bicyclo[2.2.2]oct-2-enyl]methyl acetate |
7068774 |
[(2R,3R)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]methyl acetate |
7068775 |
[(2R,3S)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]methyl acetate |
7068776 |
[(2S,3R)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]methyl acetate |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 11864 | Additional Members: 1 | Rows returned: 0 | |
|