| 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: |
MT2481-pdr1pdr3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5696±0.0168999 |
| Normalized OD Score: sc h |
0.8257±0.0080157 |
| Z-Score: |
-5.5390±0.383196 |
| p-Value: |
0.000000072063 |
| Z-Factor: |
0.475467 |
| Fitness Defect: |
16.4457 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|F2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.30 Celcius | | Date: | 2006-05-02 YYYY-MM-DD | | Plate CH Control (+): | 0.03805±0.00500 | | Plate DMSO Control (-): | 0.676425±0.01453 | | Plate Z-Factor: | 0.8841 |
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ps
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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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