| 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: |
TOP1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3431±0.0183848 |
| Normalized OD Score: sc h |
1.2046±0.040664 |
| Z-Score: |
1.7915±0.465292 |
| p-Value: |
0.088794 |
| Z-Factor: |
-0.665517 |
| Fitness Defect: |
2.4214 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|G5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.30 Celcius | | Date: | 2006-04-25 YYYY-MM-DD | | Plate CH Control (+): | 0.041550000000000004±0.00430 | | Plate DMSO Control (-): | 0.3191±0.01976 | | Plate Z-Factor: | 0.7802 |
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| 9496977 |
[(3R,7S,8R,9S,10S,13R,14S,17R)-17-[(E,2S,5S)-5,6-dimethylhept-3-en-2-yl]-7,10,13-trimethyl-2,3,4,7,8,9,1
1,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 9496978 |
[(3R,7R,8R,9S,10S,13R,14S,17R)-17-[(E,2S,5S)-5,6-dimethylhept-3-en-2-yl]-7,10,13-trimethyl-2,3,4,7,8,9,1
1,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 9496979 |
[(3R,7S,8R,9R,10S,13R,14S,17R)-17-[(E,2S,5S)-5,6-dimethylhept-3-en-2-yl]-7,10,13-trimethyl-2,3,4,7,8,9,1
1,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 9496980 |
[(3R,7R,8R,9R,10S,13R,14S,17R)-17-[(E,2S,5S)-5,6-dimethylhept-3-en-2-yl]-7,10,13-trimethyl-2,3,4,7,8,9,1
1,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 9499151 |
n/a |
| 9499152 |
n/a |
| internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
| active | Cluster 15449 | Additional Members: 9 | Rows returned: 0 | |
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