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: |
BCK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6376±0.00388909 |
Normalized OD Score: sc h |
0.9911±0.00169458 |
Z-Score: |
-0.1737±0.0361873 |
p-Value: |
0.86213 |
Z-Factor: |
-27.5387 |
Fitness Defect: |
0.1483 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 2|G5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.50 Celcius | Date: | 2006-03-24 YYYY-MM-DD | Plate CH Control (+): | 0.038675±0.00123 | Plate DMSO Control (-): | 0.6602250000000001±0.02150 | Plate Z-Factor: | 0.9014 |
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11786 |
[(3S,9S,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cy clopenta[a]phenanthren-3-yl] acetate |
15921 |
[17-(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-cyclop enta[a]phenanthren-3-yl] acetate |
99469 |
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14 ,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
102150 |
[(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclo penta[a]phenanthren-3-yl] acetate |
102203 |
[(3S,8R,9S,10R,13S,14S,17S)-3-acetyloxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclo penta[a]phenanthren-17-yl] acetate |
102205 |
[(3S,8R,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl openta[a]phenanthren-17-yl] acetate |
internal high similarity DBLink | Rows returned: 7 | << Back 1 2 |
active | Cluster 15449 | Additional Members: 9 | Rows returned: 0 | |
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