| 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: |
CTF18 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5672±0.00381838 |
| Normalized OD Score: sc h |
0.9684±0.00625763 |
| Z-Score: |
-1.4434±0.450224 |
| p-Value: |
0.169327 |
| Z-Factor: |
-3.21821 |
| Fitness Defect: |
1.7759 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|H6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.10 Celcius | | Date: | 2007-11-01 YYYY-MM-DD | | Plate CH Control (+): | 0.041800000000000004±0.00059 | | Plate DMSO Control (-): | 0.5763750000000001±0.02170 | | Plate Z-Factor: | 0.8702 |
|  png
ps
pdf |
| 490366 |
n/a |
| 496066 |
n/a |
| 526685 |
methyl
3-(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)butanoate |
| 536358 |
(2,13-dimethyl-3-oxo-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl
) acetate |
| 536366 |
n/a |
| 536953 |
4-(3-acetyloxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)p
entanoic acid |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 9057 | Additional Members: 1 | Rows returned: 0 | |
|
