| 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: |
BNI4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7372±0.0709228 |
| Normalized OD Score: sc h |
1.0261±0.0145397 |
| Z-Score: |
0.8290±0.515584 |
| p-Value: |
0.437482 |
| Z-Factor: |
-19.4097 |
| Fitness Defect: |
0.8267 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|H6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.70 Celcius | | Date: | 2006-03-22 YYYY-MM-DD | | Plate CH Control (+): | 0.039575±0.00047 | | Plate DMSO Control (-): | 0.6868±0.03393 | | Plate Z-Factor: | 0.8071 |
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| 7057232 |
(3S)-5-[(1R,2R,4aR,8aR)-2-acetyloxy-2,5,5,8a-tetramethyl-decalin-1-yl]-3-methyl-pentanoate |
| 7057233 |
(3S)-5-[(1R,2R,4aR,8aR)-2-acetyloxy-2,5,5,8a-tetramethyl-decalin-1-yl]-3-methyl-pentanoic acid |
| 7057234 |
(3S)-5-[(1R,2R,4aS,8aR)-2-acetyloxy-2,5,5,8a-tetramethyl-decalin-1-yl]-3-methyl-pentanoate |
| 7057239 |
methyl (3S)-5-[(1R,2R,4aR,8aR)-2-acetyloxy-2,5,5,8a-tetramethyl-decalin-1-yl]-3-methyl-pentanoate |
| 7057240 |
methyl (3S)-5-[(1R,2R,4aS,8aR)-2-acetyloxy-2,5,5,8a-tetramethyl-decalin-1-yl]-3-methyl-pentanoate |
| 7091818 |
[(5S,8S,9R,10S,13S,14S,17S)-10,13,17-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-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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