| Compound Information | SONAR Target prediction | | Name: | RETINYL ACETATE | | Unique Identifier: | SPE01503051 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C22H32O2 | | Molecular Weight: | 296.234 g/mol | | X log p: | 12.918 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 7 | | Canonical Smiles: | CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C | | Therapeutics: | vitamin precursor |
| Species: |
4932 |
| Condition: |
BY4741-2nd |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8124±0.0033234 |
| Normalized OD Score: sc h |
0.9997±0.00665573 |
| Z-Score: |
1.1695±0.22184 |
| p-Value: |
0.247988 |
| Z-Factor: |
-1.38443 |
| Fitness Defect: |
1.3944 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 15|F9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.80 Celcius | | Date: | 2006-04-05 YYYY-MM-DD | | Plate CH Control (+): | 0.037849999999999995±0.00125 | | Plate DMSO Control (-): | 0.7692±0.01374 | | Plate Z-Factor: | 0.9277 |
|  png
ps
pdf |
| DBLink | Rows returned: 5 | |
| 5057 |
[3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] acetate |
| 638034 |
[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] acetate |
| 5353925 |
[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] acetate |
| 5381733 |
[(2Z,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] acetate |
| 16036981 |
[(2E,4E,6E)-3,5-dimethyl-7-(2,6,6-trimethyl-1-cyclohexenyl)hepta-2,4,6-trienyl] acetate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 820 | Additional Members: 15 | Rows returned: 3 | |
|
