| 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: |
HSC82 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6987±0.00629325 |
| Normalized OD Score: sc h |
0.9741±0.000830315 |
| Z-Score: |
-1.4444±0.0393979 |
| p-Value: |
0.148798 |
| Z-Factor: |
-1.10298 |
| Fitness Defect: |
1.9052 |
| 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: | 2008-04-29 YYYY-MM-DD | | Plate CH Control (+): | 0.041575±0.00244 | | Plate DMSO Control (-): | 0.701025±0.01205 | | Plate Z-Factor: | 0.9206 |
|  png
ps
pdf |
| 537528 |
n/a |
| 540132 |
(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl acetate |
| 541091 |
(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate |
| 575860 |
n/a |
| 584292 |
(1,2,4a,6a,6b,9,9,12a-octamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydro-1H-picen-5-yl)
acetate |
| 600143 |
(2,4a,5,8a-tetramethyl-1,2,3,4,7,8-hexahydronaphthalen-1-yl) acetate |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 11864 | Additional Members: 1 | Rows returned: 0 | |
|
