| 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: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7573±0.000282843 |
| Normalized OD Score: sc h |
1.0546±0.00565091 |
| Z-Score: |
2.9699±0.35177 |
| p-Value: |
0.00389692 |
| Z-Factor: |
-6.00316 |
| Fitness Defect: |
5.5476 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|D7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.40 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.0412±0.00025 | | Plate DMSO Control (-): | 0.69275±0.12390 | | Plate Z-Factor: | 0.4147 |
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ps
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| 549802 |
[4,4,10,13,14-pentamethyl-17-(2-methylprop-2-enyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]ph
enanthren-3-yl] acetate |
| 564771 |
4-(2,6,6-trimethyl-1-cyclohex-2-enyl)butan-2-yl acetate |
| 595366 |
n/a |
| 616460 |
[11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropi
cen-3-yl] acetate |
| 619255 |
[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phe
nanthren-3-yl] acetate |
| 629974 |
[4,10,13-trimethyl-17-(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 | |
| active | Cluster 1278 | Additional Members: 6 | Rows returned: 2 | |
|
