| 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: |
IRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7077±0.00579828 |
| Normalized OD Score: sc h |
0.9848±0.00120261 |
| Z-Score: |
-0.8205±0.0900235 |
| p-Value: |
0.412866 |
| Z-Factor: |
-15.3689 |
| Fitness Defect: |
0.8846 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|F8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.90 Celcius | | Date: | 2007-11-23 YYYY-MM-DD | | Plate CH Control (+): | 0.0401±0.00084 | | Plate DMSO Control (-): | 0.714175±0.02139 | | Plate Z-Factor: | 0.9227 |
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| 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 | |
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