| Compound Information | SONAR Target prediction | | Name: | ERGOSTA-7,22-DIEN-3-ONE | | Unique Identifier: | SPE01800109 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 352.299 g/mol | | X log p: | 8.157 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC12C | | Class: | sterol | | Source: | Fomes & Coriolis spp. | | Reference: | J Chem Soc (C)1971:685 |
| Species: |
4932 |
| Condition: |
IDH2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5883±0.00190919 |
| Normalized OD Score: sc h |
1.0000±0.0063217 |
| Z-Score: |
-0.0020±0.316735 |
| p-Value: |
0.822784 |
| Z-Factor: |
-244.458 |
| Fitness Defect: |
0.1951 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|E2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.80 Celcius | | Date: | 2007-10-19 YYYY-MM-DD | | Plate CH Control (+): | 0.04075±0.00052 | | Plate DMSO Control (-): | 0.57975±0.01611 | | Plate Z-Factor: | 0.9112 |
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ps
pdf |
| 5314369 |
2-(2,5,5-trimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-yl)acetaldehyde |
| 5316264 |
(5E)-cyclopentadec-5-en-1-one |
| 5316269 |
(5E)-cyclotetradec-5-en-1-one |
| 5317961 |
n/a |
| 5319770 |
n/a |
| 5321508 |
(10R,13S)-17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahy
drocyclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
|
