| 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: |
4896 |
| Condition: |
MT1181-W303mata |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4312±0.00827315 |
| Normalized OD Score: sc h |
0.9995±0.00452726 |
| Z-Score: |
-0.0044±0.0460326 |
| p-Value: |
0.974034 |
| Z-Factor: |
-14.7792 |
| Fitness Defect: |
0.0263 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|H6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.00 Celcius | | Date: | 2005-12-14 YYYY-MM-DD | | Plate CH Control (+): | 0.492075±0.01621 | | Plate DMSO Control (-): | 0.443975±0.03786 | | Plate Z-Factor: | -2.1704 |
|  png
ps
pdf |
| 256740 |
2-[(3S,5S,8S,9S,10S,13S,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecah
ydro-1H-cyclopenta[a]phenanthren-17-yl]acetic acid |
| 257636 |
(17-ethyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-
3-yl) acetate |
| 262817 |
1-[3-(methoxycarbonylmethyl)-2,2-dimethyl-cyclobutyl]ethyl acetate |
| 269124 |
n/a |
| 274533 |
(10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl)
acetate |
| 287610 |
3-[7-acetyloxy-1-(2-carboxyethyl)-2,4b-dimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl
]-2-methyl-propanoic acid |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 9057 | Additional Members: 1 | Rows returned: 0 | |
|
