Compound Information | SONAR Target prediction | Name: | RETINYL PALMITATE | Unique Identifier: | SPE01503604 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 464.384 g/mol | X log p: | 12.918 (online calculus) | Lipinksi Failures | 2 | TPSA | 26.3 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 21 | Canonical Smiles: | CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C | Source: | semisynthetic | Therapeutics: | provitamin, antixerophthalamic |
Species: |
4932 |
Condition: |
AAT2 |
Replicates: |
2 |
Raw OD Value: r im |
0.7210±0.0184555 |
Normalized OD Score: sc h |
1.0098±0.00220798 |
Z-Score: |
0.5220±0.128468 |
p-Value: |
0.60316 |
Z-Factor: |
-3.47785 |
Fitness Defect: |
0.5056 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 3|D9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.50 Celcius | Date: | 2008-04-08 YYYY-MM-DD | Plate CH Control (+): | 0.039724999999999996±0.00061 | Plate DMSO Control (-): | 0.71515±0.01123 | Plate Z-Factor: | 0.9461 |
| png ps pdf |
5058 |
[3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] hexadecanoate |
5280531 |
[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] hexadecanoate |
5352714 |
[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] decanoate |
5352715 |
[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] dodecanoate |
5352716 |
[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] hexanoate |
5352717 |
[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] octanoate |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 820 | Additional Members: 15 | Rows returned: 3 | |
|