| 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: |
4932 |
| Condition: |
BRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5111±0.0361332 |
| Normalized OD Score: sc h |
1.0533±0.0300515 |
| Z-Score: |
0.9530±0.499539 |
| p-Value: |
0.370074 |
| Z-Factor: |
-2.11535 |
| Fitness Defect: |
0.9941 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|H6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.90 Celcius | | Date: | 2006-03-16 YYYY-MM-DD | | Plate CH Control (+): | 0.0398±0.00090 | | Plate DMSO Control (-): | 0.5064±0.02426 | | Plate Z-Factor: | 0.8660 |
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ps
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| 196290 |
[(3R,4aS,6aR,6aR,6bR,8aR,9R,12aR,14aS,14bS)-2,2,4a,6a,6a,8a,9,14a-octamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,
12,12a,13,14,14b-tetradecahydro-1H-picen-3-yl] acetate |
| 222098 |
tert-butyl 12-acetyloxyoctadecanoate |
| 222827 |
[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-17-[(2R)-4-oxobutan-2-yl]-2,3,4,5,6,7,8,9,
11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate |
| 224447 |
[(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclope
nta[a]phenanthren-17-yl] acetate |
| 227113 |
[(3S,5S,8R,9S,10S,13R,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro
-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 242132 |
[(5S,8R,9S,10S,13S,14S,17S)-13-methyl-3-oxo-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclope
nta[a]phenanthren-17-yl] acetate |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 9057 | Additional Members: 1 | Rows returned: 0 | |
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