| 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: |
CNB1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8346±0.00403051 |
| Normalized OD Score: sc h |
1.0016±0.00143287 |
| Z-Score: |
0.0764±0.0697933 |
| p-Value: |
0.939136 |
| Z-Factor: |
-57.8445 |
| Fitness Defect: |
0.0628 |
| 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: | 2006-03-03 YYYY-MM-DD | | Plate CH Control (+): | 0.038025±0.00167 | | Plate DMSO Control (-): | 0.8112±0.01814 | | Plate Z-Factor: | 0.9399 |
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| 632812 |
[17-(5-hydroxy-5-methyl-hexan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopen
ta[a]phenanthren-3-yl] acetate |
| 633274 |
[17-(5,6-dimethylhept-5-en-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 |
| 633359 |
[4,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]ph
enanthren-3-yl] acetate |
| 634244 |
[10,13-dimethyl-17-[1-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-d
odecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 634645 |
[6-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-
yl)-2-methyl-heptyl] acetate |
| 2723897 |
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-d
odecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
| active | Cluster 15449 | Additional Members: 9 | Rows returned: 0 | |
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