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: |
SUR2 |
Replicates: |
2 |
Raw OD Value: r im |
0.7084±0.00735391 |
Normalized OD Score: sc h |
0.9741±0.0122264 |
Z-Score: |
-1.3157±0.645733 |
p-Value: |
0.233318 |
Z-Factor: |
-2.08737 |
Fitness Defect: |
1.4554 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 11|F3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.40 Celcius | Date: | 2008-05-06 YYYY-MM-DD | Plate CH Control (+): | 0.040275000000000005±0.00025 | Plate DMSO Control (-): | 0.70275±0.01336 | Plate Z-Factor: | 0.9220 |
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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 | |
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