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: |
ARX1 |
Replicates: |
2 |
Raw OD Value: r im |
0.7099±0.0108187 |
Normalized OD Score: sc h |
1.0061±0.0122858 |
Z-Score: |
0.3244±0.631179 |
p-Value: |
0.671928 |
Z-Factor: |
-11.8861 |
Fitness Defect: |
0.3976 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 5|F6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.10 Celcius | Date: | 2007-10-11 YYYY-MM-DD | Plate CH Control (+): | 0.040275±0.00102 | Plate DMSO Control (-): | 0.6929±0.02309 | Plate Z-Factor: | 0.8772 |
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10494 |
(4aS,6aS,6aS,6bR,8aS,10S,12aS,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,1 2,13,14b-tetradecahydropicene-4a-carboxylic acid |
64945 |
(1S,2R,4aS,6aS,6aS,6bR,8aS,10S,12aS,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,1 0,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
191718 |
(1S,2R,4aS,6aS,6aS,6bR,10S,12aS,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11 ,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; (4aS,6aS,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13 ,14b-tetradecahydropicene-4a-carboxylic acid |
191719 |
(1S,2R,4aS,6aS,6aS,6bR,10S,12aS,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11 ,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
191720 |
(4aS,6aS,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13 ,14b-tetradecahydropicene-4a-carboxylic acid |
220774 |
10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a -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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