| 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: |
CDC73 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4292±0.00997021 |
| Normalized OD Score: sc h |
1.0159±0.0352875 |
| Z-Score: |
0.3788±0.868895 |
| p-Value: |
0.56717 |
| Z-Factor: |
-7.42377 |
| Fitness Defect: |
0.5671 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|H6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.60 Celcius | | Date: | 2007-09-19 YYYY-MM-DD | | Plate CH Control (+): | 0.04005±0.00035 | | Plate DMSO Control (-): | 0.403575±0.10265 | | Plate Z-Factor: | 0.0507 |
|  png
ps
pdf |
| 540806 |
n/a |
| 540888 |
(10,13,17-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate |
| 541039 |
1-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)e
thyl acetate |
| 545691 |
n/a |
| 564192 |
2-(3-oxo-7-bicyclo[3.2.1]octyl)ethyl acetate |
| 565634 |
(4,4,6a,6b,8a,11,12,14b-octamethyl-13-oxo-1,2,3,4a,5,6,6a,7,8,9,10,11,12,12a,14,14a-hexadecahydropicen-3
-yl) acetate |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 9057 | Additional Members: 1 | Rows returned: 0 | |
|
