| 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: |
GPR1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8513±0.048154 |
| Normalized OD Score: sc h |
1.0583±0.00653547 |
| Z-Score: |
1.6582±0.287404 |
| p-Value: |
0.104174 |
| Z-Factor: |
-0.961801 |
| Fitness Defect: |
2.2617 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|H6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.00 Celcius | | Date: | 2006-03-02 YYYY-MM-DD | | Plate CH Control (+): | 0.038425±0.00234 | | Plate DMSO Control (-): | 0.80835±0.02597 | | Plate Z-Factor: | 0.8758 |
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ps
pdf |
| 4073988 |
n/a |
| 4105114 |
n/a |
| 4114186 |
methyl
4-(3-acetyloxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[
a]phenanthren-17-yl)pentanoate |
| 4184296 |
[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclo
penta[a]phenanthren-11-yl] acetate |
| 4247391 |
[17-(methoxycarbonylmethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopent
a[a]phenanthren-3-yl] acetate |
| 4316021 |
2-(17-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanth
ren-3-yl)acetic acid |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 9057 | Additional Members: 1 | Rows returned: 0 | |
|
