| Compound Information | SONAR Target prediction | | Name: | URSOLIC ACID | | Unique Identifier: | SPE01800031 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 408.319 g/mol | | X log p: | 1.367 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C)C(O)=O | | Class: | triterpene | | Source: | Rhododendron spp, Epigaea asiatica, surface wax of fruits | | Reference: | Phytochemistry 10:3279 (1971) | | Therapeutics: | diuretic, antineoplastic, antiulcer |
| Species: |
4932 |
| Condition: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6870±0.0026163 |
| Normalized OD Score: sc h |
0.9874±0.00632906 |
| Z-Score: |
-0.6893±0.354226 |
| p-Value: |
0.504064 |
| Z-Factor: |
-11.2361 |
| Fitness Defect: |
0.6851 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 5|F6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.70 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.041374999999999995±0.00052 | | Plate DMSO Control (-): | 0.687425±0.02326 | | Plate Z-Factor: | 0.8902 |
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ps
pdf |
| 290078 |
cyclohept-3-ene-1-carboxylic acid |
| 292830 |
2-(1-cyclopent-2-enyl)tetradecanoic acid |
| 317027 |
13-methyl-17-(6-methylheptan-2-yl)-1,2,3,4,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenant
hrene-3-carboxylic acid |
| 338181 |
(1S,2R,4aR,6aS,6aS,6bR,8aS,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,
10,11,12,13,14b-tetradecahydro-1H-picene-1-carboxylic acid |
| 441936 |
n/a |
| 458100 |
10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenan
threne-3-carboxylic acid |
| internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
| active | Cluster 1869 | Additional Members: 9 | Rows returned: 3 | |
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