Compound Information | SONAR Target prediction | Name: | ERGOSTEROL ACETATE | Unique Identifier: | SPE00200744 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 416.341 g/mol | X log p: | 9.421 (online calculus) | Lipinksi Failures | 1 | TPSA | 26.3 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 6 | Canonical Smiles: | CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4C(C)(C)C(CCC4(C)C3CCC12C)OC(C)=O | Class: | sterol | Source: | derivative; mp 179-181 C |
Species: |
4932 |
Condition: |
APC9 |
Replicates: |
2 |
Raw OD Value: r im |
0.6887±0.00912168 |
Normalized OD Score: sc h |
0.9883±0.00623936 |
Z-Score: |
-0.6313±0.329442 |
p-Value: |
0.538912 |
Z-Factor: |
-12.5468 |
Fitness Defect: |
0.6182 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 5|B2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 21.70 Celcius | Date: | 2007-11-22 YYYY-MM-DD | Plate CH Control (+): | 0.041374999999999995±0.00052 | Plate DMSO Control (-): | 0.687425±0.02326 | Plate Z-Factor: | 0.8902 |
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6036492 |
[17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopen ta[a]phenanthren-3-yl] acetate |
6432261 |
[(3S)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopen ta[a]phenanthren-3-yl] acetate |
6436903 |
[(3S,9R,10R,13S,14R,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16 ,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
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