| 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: |
TIF3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5998±0.00622254 |
| Normalized OD Score: sc h |
0.9852±0.00135244 |
| Z-Score: |
-0.6937±0.0834447 |
| p-Value: |
0.488632 |
| Z-Factor: |
-14.6356 |
| Fitness Defect: |
0.7161 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|H6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.20 Celcius | | Date: | 2007-10-31 YYYY-MM-DD | | Plate CH Control (+): | 0.042175±0.00056 | | Plate DMSO Control (-): | 0.6024499999999999±0.11136 | | Plate Z-Factor: | 0.3654 |
|  png
ps
pdf |
| 536983 |
methyl
4-(12-acetyloxy-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[
a]phenanthren-17-yl)pentanoate |
| 537002 |
(2,4,10,13-tetramethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17
-yl) acetate |
| 537009 |
(4a,6a,8-trimethyl-7-oxo-2,3,4,4b,5,6,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-chrysen-2-yl) acetate |
| 537094 |
methyl 17-acetyloxyoctadecanoate |
| 537108 |
methyl
4-(12-acetyloxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenan
thren-17-yl)pentanoate |
| 537109 |
4-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthr
en-17-yl)pentanoic acid |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 9057 | Additional Members: 1 | Rows returned: 0 | |
|
