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: |
HTZ1 |
Replicates: |
2 |
Raw OD Value: r im |
0.3516±0.156907 |
Normalized OD Score: sc h |
1.4077±0.85927 |
Z-Score: |
0.6750±2.94227 |
p-Value: |
0.0828702 |
Z-Factor: |
-7.97745 |
Fitness Defect: |
2.4905 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 2|G5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.40 Celcius | Date: | 2007-09-26 YYYY-MM-DD | Plate CH Control (+): | 0.040625±0.00079 | Plate DMSO Control (-): | 0.22970000000000002±0.09151 | Plate Z-Factor: | -0.9229 |
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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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