| Compound Information | SONAR Target prediction | | Name: | EUPHOL ACETATE | | Unique Identifier: | SPE00100583 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 416.341 g/mol | | X log p: | 2.885 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | CC(CCC=C(C)C)C1CCC2(C)C3CCC4C(C)(C)C(CCC4(C)C=3CCC12C)OC(C)=O | | Class: | sterol | | Source: | Euphorbia spp | | Reference: | Helv Chim Acta 37: 2306 (1954) |
| Species: |
4932 |
| Condition: |
MRT4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4123±0.0121622 |
| Normalized OD Score: sc h |
0.8464±0.0350499 |
| Z-Score: |
-5.0160±0.422027 |
| p-Value: |
0.00000124648 |
| Z-Factor: |
-1.58851 |
| Fitness Defect: |
13.5952 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|D7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.80 Celcius | | Date: | 2007-08-30 YYYY-MM-DD | | Plate CH Control (+): | 0.03949999999999999±0.00059 | | Plate DMSO Control (-): | 0.46475±0.05332 | | Plate Z-Factor: | 0.4602 |
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| 6427364 |
[(3S,5S)-17-[(E,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodeca
hydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 6427486 |
2-[(2R,4aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-yl acetate |
| 6432109 |
[(3S,5S)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H
-cyclopenta[a]phenanthren-3-yl] acetate |
| 6432278 |
[(3S,5S)-10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclope
nta[a]phenanthren-3-yl] acetate |
| 6432288 |
[(3S)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclope
nta[a]phenanthren-3-yl] acetate |
| 6432816 |
[(3S,10R,13S)-10,13-dimethyl-17-[(2S)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-
dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| internal high similarity DBLink | Rows returned: 3 | |
| nonactive | Cluster 1278 | Additional Members: 6 | Rows returned: 4 | |
|
