| 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: |
REF2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3445±0.0195869 |
| Normalized OD Score: sc h |
0.9821±0.0461078 |
| Z-Score: |
-0.5346±1.3302 |
| p-Value: |
0.412462 |
| Z-Factor: |
-15.816 |
| Fitness Defect: |
0.8856 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 11|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.50 Celcius | | Date: | 2008-08-27 YYYY-MM-DD | | Plate CH Control (+): | 0.0421±0.00057 | | Plate DMSO Control (-): | 0.3355±0.01565 | | Plate Z-Factor: | 0.8395 |
|  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 | |
|
