| 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: |
KRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6102±0.00268701 |
| Normalized OD Score: sc h |
1.0065±0.00618627 |
| Z-Score: |
1.2255±0.316244 |
| p-Value: |
0.231842 |
| Z-Factor: |
-1.05461 |
| Fitness Defect: |
1.4617 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 11|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 29.10 Celcius | | Date: | 2008-04-02 YYYY-MM-DD | | Plate CH Control (+): | 0.04415000000000001±0.00504 | | Plate DMSO Control (-): | 0.59745±0.01693 | | Plate Z-Factor: | 0.8508 |
|  png
ps
pdf |
| 11944614 |
[(4aR,6aR,6bR,8aR,10S,12aS,14aS,14bR)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,1
1,12,13,14,14b-tetradecahydropicen-4a-yl]methyl acetate |
| 11944615 |
[(4aR,6aS,6bR,8aR,10S,12aS,14aS,14bS)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,1
1,12,13,14,14b-tetradecahydropicen-4a-yl]methyl acetate |
| 11944616 |
[(4aR,6aS,6bR,8aR,10S,12aS,14aS,14bR)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,1
1,12,13,14,14b-tetradecahydropicen-4a-yl]methyl acetate |
| 11989947 |
[(1S,4R,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl] acetate |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 11864 | Additional Members: 1 | Rows returned: 0 | |
|
