| 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: |
SEC22 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6208±0.000636396 |
| Normalized OD Score: sc h |
1.0152±0.00955743 |
| Z-Score: |
0.5347±0.356776 |
| p-Value: |
0.604484 |
| Z-Factor: |
-9.93942 |
| Fitness Defect: |
0.5034 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|G5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.40 Celcius | | Date: | 2007-10-16 YYYY-MM-DD | | Plate CH Control (+): | 0.04±0.00042 | | Plate DMSO Control (-): | 0.599±0.10539 | | Plate Z-Factor: | 0.4099 |
|  png
ps
pdf |
| 625040 |
(17-ethyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)
acetate |
| 626535 |
(10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-
3-yl) acetate |
| 628486 |
(17-butan-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 |
| 630017 |
[17-(1-formyloxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanth
ren-3-yl] acetate |
| 631754 |
[10,13-dimethyl-17-(5-methylhex-4-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phe
nanthren-3-yl] acetate |
| 632581 |
[17-(2-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 |
| internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
| active | Cluster 15449 | Additional Members: 9 | Rows returned: 0 | |
|
