| 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: |
SSE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4614±0.0154856 |
| Normalized OD Score: sc h |
1.0140±0.000601349 |
| Z-Score: |
0.3686±0.000576576 |
| p-Value: |
0.712404 |
| Z-Factor: |
-3.83978 |
| Fitness Defect: |
0.3391 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|F2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.10 Celcius | | Date: | 2008-05-01 YYYY-MM-DD | | Plate CH Control (+): | 0.041374999999999995±0.00082 | | Plate DMSO Control (-): | 0.427875±0.01969 | | Plate Z-Factor: | 0.8372 |
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ps
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| 579157 |
2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)butanal |
| 579168 |
4-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentan-2-one |
| 595401 |
n/a |
| 609687 |
4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,13,14-dodecahydro-1H-picen-3-one |
| 618607 |
4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydropicen-3-one |
| 621255 |
1,1,4a,7,7-pentamethyl-3,4,4b,5,6,8,10,10a-octahydrophenanthren-2-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
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