Compound Information | SONAR Target prediction | Name: | SITOSTERYL ACETATE | Unique Identifier: | SPE00107023 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C31H52O2 | Molecular Weight: | 404.331 g/mol | X log p: | 3.772 (online calculus) | Lipinksi Failures | 0 | TPSA | 26.3 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 8 | Canonical Smiles: | CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)C(C)C | Source: | ex widespread in plants | Reference: | J Am Chem Soc 48: 2987 (1926) |
Species: |
4932 |
Condition: |
BCK2 |
Replicates: |
2 |
Raw OD Value: r im |
0.7644±0.000707107 |
Normalized OD Score: sc h |
1.0136±0.00528396 |
Z-Score: |
0.5638±0.15216 |
p-Value: |
0.575078 |
Z-Factor: |
-3.48841 |
Fitness Defect: |
0.5532 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 2|G5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.60 Celcius | Date: | 2006-03-29 YYYY-MM-DD | Plate CH Control (+): | 0.03785±0.00189 | Plate DMSO Control (-): | 0.74605±0.01532 | Plate Z-Factor: | 0.9184 |
| png ps pdf |
5354503 |
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,1 4,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
5363284 |
[17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cy clopenta[a]phenanthren-3-yl] acetate |
5378149 |
[(17E)-10,13-dimethyl-17-(6-methylheptan-2-ylidene)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a ]phenanthren-3-yl] acetate |
5378730 |
[17-[(Z)-but-2-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant hren-3-yl] acetate |
5379188 |
[17-[(Z)-hex-2-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant hren-3-yl] acetate |
5379343 |
[17-[(Z)-hept-2-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenan thren-3-yl] acetate |
internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
active | Cluster 15449 | Additional Members: 9 | Rows returned: 0 | |
|