| Compound Information | SONAR Target prediction | | Name: | 7,7-Dimethyl-(5Z,8Z)-eicosadienoic acid | | Unique Identifier: | LOPAC 00855 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C22H40O2 | | Molecular Weight: | 296.234 g/mol | | X log p: | 7.358 (online calculus) | | Lipinksi Failures | 2 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 16 | | Canonical Smiles: | CCCCCCCCCCCC=CC(C)(C)C=CCCCC(O)=O | | Class: | Lipid | | Action: | Inhibitor | | Selectivity: | PLA2 / Lipoxygenase |
| Species: |
4932 |
| Condition: |
CIN2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8729±0.0122329 |
| Normalized OD Score: sc h |
1.0451±0.0156804 |
| Z-Score: |
3.4947±1.53281 |
| p-Value: |
0.0079605 |
| Z-Factor: |
-0.939475 |
| Fitness Defect: |
4.8333 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 6|G3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.90 Celcius | | Date: | 2005-12-07 YYYY-MM-DD | | Plate CH Control (+): | 0.0395±0.00186 | | Plate DMSO Control (-): | 0.82±0.01296 | | Plate Z-Factor: | 0.9279 |
|  png
ps
pdf |
| 1877 |
7,7-dimethylicosa-5,8-dienoic acid |
| 3207 |
icosa-5,8-dienoic acid |
| 4028 |
icosa-5,8,11-trienoic acid |
| 5282825 |
(5E,8E,11E)-icosa-5,8,11-trienoic acid |
| 5312331 |
(5E,8E)-7,7-dimethylicosa-5,8-dienoic acid |
| 5312332 |
(5E,8E,11E)-7,7-dimethylicosa-5,8,11-trienoic acid |
| internal high similarity DBLink | Rows returned: 1 | |
| nonactive | Cluster 13466 | Additional Members: 2 | Rows returned: 1 | |
|
