| 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: |
MMS22 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5963±0.00183848 |
| Normalized OD Score: sc h |
1.0525±0.00232765 |
| Z-Score: |
1.7511±0.0124677 |
| p-Value: |
0.0799334 |
| Z-Factor: |
-0.791212 |
| Fitness Defect: |
2.5266 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 15|C3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.00 Celcius | | Date: | 2008-06-13 YYYY-MM-DD | | Plate CH Control (+): | 0.04065±0.00070 | | Plate DMSO Control (-): | 0.56765±0.01849 | | Plate Z-Factor: | 0.9129 |
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ps
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| 110655 |
n/a |
| 177801 |
[(3S,4aS,6aS,6bS,8aR,11R,12S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,1
2a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate |
| 181096 |
[(3S,4aS,6aS,6bS,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,
13,14-tetradecahydro-1H-picen-3-yl] acetate |
| 185809 |
[(3S,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,8,12,15,16,
17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 193352 |
[(3S,5S,10S,13S,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-d
odecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 259896 |
[17-(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 |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 1278 | Additional Members: 6 | Rows returned: 2 | |
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