| 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 |
0.6983±0.0120208 |
| Normalized OD Score: sc h |
0.9965±0.0105705 |
| Z-Score: |
-0.1440±0.429052 |
| p-Value: |
0.76398 |
| Z-Factor: |
-29.1935 |
| Fitness Defect: |
0.2692 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|H6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.70 Celcius | | Date: | 2006-03-16 YYYY-MM-DD | | Plate CH Control (+): | 0.0394±0.00155 | | Plate DMSO Control (-): | 0.681325±0.01267 | | Plate Z-Factor: | 0.9351 |
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ps
pdf |
| 634099 |
(10,13-dimethyl-12-oxo-17-pentan-2-yl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenan
thren-3-yl) acetate |
| 634592 |
n/a |
| 634611 |
n/a |
| 634975 |
(10,13-dimethyl-17-octan-2-yl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenant
hren-3-yl) acetate |
| 635199 |
[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclo
penta[a]phenanthren-3-yl] acetate |
| 637624 |
[(3S,5S,8R,9S,10S,13R,14S,17R)-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 |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 9057 | Additional Members: 1 | Rows returned: 0 | |
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