| 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: |
MCM21 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6488±0.00749533 |
| Normalized OD Score: sc h |
0.9764±0.00713723 |
| Z-Score: |
-1.1657±0.41228 |
| p-Value: |
0.26354 |
| Z-Factor: |
-27.7448 |
| Fitness Defect: |
1.3336 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|G5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.30 Celcius | | Date: | 2007-11-07 YYYY-MM-DD | | Plate CH Control (+): | 0.0413±0.00385 | | Plate DMSO Control (-): | 0.659775±0.11736 | | Plate Z-Factor: | 0.3780 |
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ps
pdf |
| 4684210 |
1-(3-acetyloxy-5,10,17-trimethyl-1,2,3,4,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)e
thyl acetate |
| 5231594 |
[10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenan
thren-3-yl] acetate |
| 5321348 |
[(10R,13R,17R)-17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydr
o-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 5352877 |
[17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclope
nta[a]phenanthren-3-yl] acetate |
| 5352878 |
[10,13-dimethyl-17-[(E)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclop
enta[a]phenanthren-3-yl] acetate |
| 5354371 |
[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 |
| internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
| active | Cluster 15449 | Additional Members: 9 | Rows returned: 0 | |
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