| Compound Information | SONAR Target prediction | | Name: | OLEANANOIC ACID ACETATE | | Unique Identifier: | SPE00240871 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C32H52O4 | | Molecular Weight: | 448.34 g/mol | | X log p: | 0.014 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 43.37 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4CC(C)(C)CCC4(CCC23C)C(O)=O)C1(C)C | | Source: | ex Machaerium kuhlmannii and Helichrysum chrysargyrum | | Reference: | Phytochemistry 18: 1375 (1979) |
| Species: |
4932 |
| Condition: |
MT2481-pdr1pdr3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6987±0.0111016 |
| Normalized OD Score: sc h |
1.0111±0.00348796 |
| Z-Score: |
0.3501±0.102586 |
| p-Value: |
0.726922 |
| Z-Factor: |
-3.65031 |
| Fitness Defect: |
0.3189 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|H6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.20 Celcius | | Date: | 2006-05-02 YYYY-MM-DD | | Plate CH Control (+): | 0.040575±0.00232 | | Plate DMSO Control (-): | 0.6865749999999999±0.01476 | | Plate Z-Factor: | 0.9292 |
|  png
ps
pdf |
| 6427594 |
[(2S)-6-oxodecalin-2-yl] acetate |
| 6428101 |
methyl
4-[(3R,5R,12R)-3,12-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclo
penta[a]phenanthren-17-yl]pentanoate |
| 6428248 |
[(5S,10S,13S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phen
anthren-17-yl] acetate |
| 6428265 |
[(5R,10S,13S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phen
anthren-17-yl] acetate |
| 6428274 |
[(5R,10S,13S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phen
anthren-17-yl] acetate |
| 6429337 |
2-[(2S)-8-oxodecalin-2-yl]propyl acetate |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 9057 | Additional Members: 1 | Rows returned: 0 | |
|
