| 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: |
DCG1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6785±0.00516188 |
| Normalized OD Score: sc h |
0.9741±0.00944402 |
| Z-Score: |
-1.4235±0.502151 |
| p-Value: |
0.180328 |
| Z-Factor: |
-160.487 |
| Fitness Defect: |
1.713 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|H6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.50 Celcius | | Date: | 2007-10-25 YYYY-MM-DD | | Plate CH Control (+): | 0.039875±0.00051 | | Plate DMSO Control (-): | 0.6850499999999999±0.07444 | | Plate Z-Factor: | 0.6010 |
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ps
pdf |
| 537925 |
methyl 11-acetyloxyhexadecanoate |
| 537935 |
methyl 15-acetyloxyhexadecanoate |
| 537951 |
methyl 10-acetyloxyhexadecanoate |
| 538065 |
(2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)
acetate |
| 538071 |
methyl
4-(3-acetyloxy-10-methyl-12-oxo-2,3,4,5,6,7,8,9,11,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenant
hren-17-yl)pentanoate |
| 538122 |
[10,13-dimethyl-12-oxo-17-(5-oxopentan-2-yl)-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a
]phenanthren-3-yl] acetate |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 9057 | Additional Members: 1 | Rows returned: 0 | |
|
