| 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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| 620523 |
[3-acetyloxy-10,13-dimethyl-17-(6-methyl-5-oxo-heptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecah
ydro-1H-cyclopenta[a]phenanthren-12-yl] acetate |
| 621344 |
n/a |
| 623382 |
n/a |
| 623491 |
(6b-formyl-4,4a,6a,8a,11,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-
3-yl) acetate |
| 624245 |
[5-[2-(2,2-dimethyl-5-oxo-cyclopentyl)ethyl]-4a-methyl-6-oxo-decalin-2-yl] acetate |
| 630983 |
[3-acetyloxy-10,13-dimethyl-17-(5-oxopentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cy
clopenta[a]phenanthren-11-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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