| 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: |
TOP1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3862±0.0188798 |
| Normalized OD Score: sc h |
1.2549±0.0411855 |
| Z-Score: |
2.2069±0.219473 |
| p-Value: |
0.0291832 |
| Z-Factor: |
0.0937372 |
| Fitness Defect: |
3.5342 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|H6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.50 Celcius | | Date: | 2006-04-25 YYYY-MM-DD | | Plate CH Control (+): | 0.041525±0.00219 | | Plate DMSO Control (-): | 0.368525±0.01355 | | Plate Z-Factor: | 0.8166 |
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ps
pdf |
| 14419 |
[(10S,13S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenant
hren-17-yl] acetate |
| 101996 |
[(3R,5S,8R,9S,10S,13S,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 |
| 107497 |
[(1S,5S,8S,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydroc
yclopenta[a]phenanthren-17-yl] acetate |
| 109201 |
calcium 12-acetyloxyoctadecanoate |
| 109202 |
12-acetyloxyoctadecanoic acid |
| 155547 |
[(2R,5S,8S,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydroc
yclopenta[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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