Compound Information | SONAR Target prediction | Name: | 11-OXOURSOLIC ACID ACETATE | Unique Identifier: | SPE00307045 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C32H48O5 | Molecular Weight: | 464.339 g/mol | X log p: | 0.647 (online calculus) | Lipinksi Failures | 0 | TPSA | 60.44 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 5 | Rotatable Bond Count: | 3 | Canonical Smiles: | CC1CCC2(CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C2C1C)C(O)= O | Source: | ex Bursera delpechiana | Reference: | Phytochemistry 30: 362 (1991) |
Species: |
4932 |
Condition: |
BY4741-2nd |
Replicates: |
2 |
Raw OD Value: r im |
0.7798±0.0053033 |
Normalized OD Score: sc h |
0.9896±0.00251379 |
Z-Score: |
-0.4143±0.114188 |
p-Value: |
0.679654 |
Z-Factor: |
-4.62753 |
Fitness Defect: |
0.3862 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 6|F2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.90 Celcius | Date: | 2006-04-05 YYYY-MM-DD | Plate CH Control (+): | 0.038099999999999995±0.00096 | Plate DMSO Control (-): | 0.7762±0.01669 | Plate Z-Factor: | 0.9288 |
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DBLink | Rows returned: 3 | |
234102 |
(1S,2R,4aS,6aS,6aS,6bR,8aS,10S,12aS,14bR)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,5,6, 6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid |
3999708 |
10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicen e-4a-carboxylic acid |
6708658 |
(1S,2R,4aS,6aS,6bR,10S,12aS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,5,6,6a,7,8,8a,10, 11,12,14b-tetradecahydropicene-4a-carboxylic acid |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 1869 | Additional Members: 9 | Rows returned: 3 | |
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