| 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: |
PMR1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5547±0.0163342 |
| Normalized OD Score: sc h |
0.9951±0.0177204 |
| Z-Score: |
-0.2243±0.821152 |
| p-Value: |
0.571222 |
| Z-Factor: |
-249.862 |
| Fitness Defect: |
0.56 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|F2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.60 Celcius | | Date: | 2008-07-04 YYYY-MM-DD | | Plate CH Control (+): | 0.04235±0.00061 | | Plate DMSO Control (-): | 0.5515749999999999±0.02039 | | Plate Z-Factor: | 0.8831 |
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| 556274 |
2-(6-bicyclo[2.2.1]hept-2-enyl)acetaldehyde |
| 556372 |
3-(1-cyclopent-2-enyl)propanal |
| 564293 |
4-(2,7,7-trimethyl-1-bicyclo[3.2.0]hept-2-enyl)butan-2-one |
| 564529 |
4-propan-2-yl-1,3,3a,4,7,7a-hexahydroinden-2-one |
| 565525 |
4-(1,2-dimethyl-1-cyclopent-2-enyl)butan-2-one |
| 578142 |
1-(7-bicyclo[3.3.1]non-3-enyl)-2-methyl-propan-1-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
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