| 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: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6890±0.000777817 |
| Normalized OD Score: sc h |
0.9858±0.00512528 |
| Z-Score: |
-0.7667±0.266877 |
| p-Value: |
0.451332 |
| Z-Factor: |
-10.7263 |
| Fitness Defect: |
0.7956 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|F8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.90 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.042225±0.00072 | | Plate DMSO Control (-): | 0.688175±0.02109 | | Plate Z-Factor: | 0.8974 |
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ps
pdf |
| 605157 |
(10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicen-4a
-yl)methyl acetate |
| 2775620 |
7-bicyclo[2.2.2]oct-2-enylmethyl acetate |
| 3022557 |
(8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl acetate |
| 3022558 |
(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)methyl acetate |
| 3725516 |
(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate |
| 6427497 |
[(2R)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-yl] acetate |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 11864 | Additional Members: 1 | Rows returned: 0 | |
|
