| 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: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7010±0.00438406 |
| Normalized OD Score: sc h |
0.9778±0.00315621 |
| Z-Score: |
-1.2090±0.189694 |
| p-Value: |
0.230818 |
| Z-Factor: |
-248.728 |
| Fitness Defect: |
1.4661 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|G5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.40 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.0412±0.00025 | | Plate DMSO Control (-): | 0.69275±0.12390 | | Plate Z-Factor: | 0.4147 |
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ps
pdf |
| 4228143 |
(17-acetyloxy-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl)
acetate |
| 4307658 |
[17-(3-hydroxy-6-methyl-heptan-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 |
| 4312726 |
n/a |
| 4563010 |
(4,4,6a,6b,8a,11,11,14a-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl)
acetate |
| 4592664 |
(3-acetyloxy-17-ethyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17
-yl) acetate |
| 4606636 |
[17-(4-ethyl-5-methyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]ph
enanthren-3-yl] acetate |
| internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
| nonactive | Cluster 15449 | Additional Members: 9 | Rows returned: 2 | |
|
