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: |
STO1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5592±0.0301227 |
Normalized OD Score: sc h |
0.9827±0.0199633 |
Z-Score: |
-0.6098±0.699834 |
p-Value: |
0.588896 |
Z-Factor: |
-66.1368 |
Fitness Defect: |
0.5295 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 11|F3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.10 Celcius | Date: | 2007-12-06 YYYY-MM-DD | Plate CH Control (+): | 0.04125±0.00054 | Plate DMSO Control (-): | 0.532575±0.02302 | Plate Z-Factor: | 0.8043 |
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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 | |
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