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: |
SWI4 |
Replicates: |
2 |
Raw OD Value: r im |
0.5621±0.000707107 |
Normalized OD Score: sc h |
1.0014±0.00953904 |
Z-Score: |
0.0452±0.426815 |
p-Value: |
0.763036 |
Z-Factor: |
-114.562 |
Fitness Defect: |
0.2705 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 24|F2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.40 Celcius | Date: | 2008-02-07 YYYY-MM-DD | Plate CH Control (+): | 0.042550000000000004±0.00144 | Plate DMSO Control (-): | 0.560225±0.01465 | Plate Z-Factor: | 0.9261 |
| png ps pdf |
27296 |
10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthre n-3-one |
35821 |
4-(2,6,6-trimethyl-1-cyclohex-2-enyl)butan-2-one |
85784 |
n/a |
103743 |
1-(8,8-dimethyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-2-yl)ethanone |
108809 |
n/a |
109194 |
1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanone |
internal high similarity DBLink | Rows returned: 5 | |
nonactive | Cluster 5085 | Additional Members: 3 | Rows returned: 2 | |
|