| 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: |
UBP8 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6585±0.00650538 |
| Normalized OD Score: sc h |
0.9758±0.00164733 |
| Z-Score: |
-0.9960±0.0683715 |
| p-Value: |
0.319832 |
| Z-Factor: |
-34.8743 |
| Fitness Defect: |
1.14 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|H6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.60 Celcius | | Date: | 2007-10-17 YYYY-MM-DD | | Plate CH Control (+): | 0.040125±0.00046 | | Plate DMSO Control (-): | 0.648075±0.09306 | | Plate Z-Factor: | 0.5150 |
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ps
pdf |
| 631371 |
(4,4,6a,8a,11,12,14b-heptamethyl-13-oxo-2,3,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a-hexadecahydro-1H-pice
n-3-yl) acetate |
| 631387 |
(4,4,6a,8a,11,11,14b-heptamethyl-13-oxo-1,2,3,4a,5,6,6a,6b,7,8,9,10,12,12a,14,14a-hexadecahydropicen-3-y
l) acetate |
| 632027 |
4-(3,12-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phen
anthren-17-yl)pentanoic acid |
| 632279 |
(4,4,10,13-tetramethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl
) acetate |
| 632419 |
methyl
10-acetyloxy-2,2,4a,6a,8a,9,14a-heptamethyl-1,3,4,5,6,6b,7,8,9,10,11,12,12a,13,14,14b-hexadecahydropicen
e-6a-carboxylate |
| 633420 |
[10,13-dimethyl-17-(6-methylheptan-2-yl)-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopent
a[a]phenanthren-3-yl] acetate |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 9057 | Additional Members: 1 | Rows returned: 0 | |
|
