| Compound Information | SONAR Target prediction | | Name: | BISABOLOL | | Unique Identifier: | SPE00307057 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 172.139 g/mol | | X log p: | 4.221 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | CC(C)=CCC(O)C1CCC(C)=CC1 | | Class: | sesquiterpene | | Source: | Abies, Pinaceae and related species | | Therapeutics: | antiinflammatory, antiulcer, antiseptic, antitubercular |
| Species: |
4932 |
| Condition: |
CIN8 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6550±0.000212132 |
| Normalized OD Score: sc h |
0.9995±0.00683281 |
| Z-Score: |
0.8857±0.359942 |
| p-Value: |
0.391056 |
| Z-Factor: |
-2.58637 |
| Fitness Defect: |
0.9389 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 15|H2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.90 Celcius | | Date: | 2008-02-06 YYYY-MM-DD | | Plate CH Control (+): | 0.041475±0.00088 | | Plate DMSO Control (-): | 0.657125±0.01589 | | Plate Z-Factor: | 0.9421 |
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| DBLink | Rows returned: 2 | |
| 3969976 |
4-methyl-1-(4-methyl-1-cyclohex-3-enyl)pent-3-en-1-ol |
| 6708662 |
(1S)-4-methyl-1-(4-methyl-1-cyclohex-3-enyl)pent-3-en-1-ol |
| internal high similarity DBLink | Rows returned: 6 | |
| active | Cluster 1902 | Additional Members: 1 | Rows returned: 0 | |
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