| 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: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6829±0.0119501 |
| Normalized OD Score: sc h |
0.9728±0.00667606 |
| Z-Score: |
-1.4771±0.340414 |
| p-Value: |
0.151068 |
| Z-Factor: |
-9.95038 |
| Fitness Defect: |
1.89 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|H6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.60 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.042025±0.00108 | | Plate DMSO Control (-): | 0.679925±0.04700 | | Plate Z-Factor: | 0.6990 |
|  png
ps
pdf |
| 579868 |
n/a |
| 601507 |
(4,4,6a,6b,8a,11,11,14b-octamethyl-13-oxo-2,3,4a,5,6,6a,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-3
-yl) acetate |
| 605257 |
(3,3,6a,6b,9,9,12a,14b-octamethyl-10-oxo-2,4,4a,5,6,6a,7,8,8a,11,12,13,14,14a-tetradecahydro-1H-picen-4-
yl) acetate |
| 612483 |
n/a |
| 615931 |
methyl
4-(3-acetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenant
hren-17-yl)pentanoate |
| 615945 |
(4a,7-dimethyl-8-oxo-1,2,3,4,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthren-2-yl) acetate |
| internal high similarity DBLink | Rows returned: 10 | << Back 1 2 |
| active | Cluster 9057 | Additional Members: 1 | Rows returned: 0 | |
|
