| 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: |
TFP1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6709±0.00120208 |
| Normalized OD Score: sc h |
0.9337±0.0118481 |
| Z-Score: |
-2.7770±0.534919 |
| p-Value: |
0.0090267 |
| Z-Factor: |
-11.9596 |
| Fitness Defect: |
4.7076 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|H6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.60 Celcius | | Date: | 2007-08-31 YYYY-MM-DD | | Plate CH Control (+): | 0.042050000000000004±0.00132 | | Plate DMSO Control (-): | 0.6881750000000001±0.10926 | | Plate Z-Factor: | 0.4713 |
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ps
pdf |
| 7052425 |
[(5S,8R,9R,10S,13S,14R,17R)-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 |
| 7052546 |
[(3R,5S,8S,9R,10R,13R,14R)-5,10,13-trimethyl-17-oxo-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopen
ta[a]phenanthren-3-yl] acetate |
| 7052547 |
[(3S,5S,8S,9R,10R,13R,14R)-5,10,13-trimethyl-17-oxo-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopen
ta[a]phenanthren-3-yl] acetate |
| 7052548 |
[(3R,5S,8S,9R,10S,13R,14R)-5,10,13-trimethyl-17-oxo-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopen
ta[a]phenanthren-3-yl] acetate |
| 7052549 |
[(3S,5S,8S,9R,10S,13R,14R)-5,10,13-trimethyl-17-oxo-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopen
ta[a]phenanthren-3-yl] acetate |
| 7052581 |
[(3R,5R,8R,9R,10R,13R,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopen
ta[a]phenanthren-3-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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