| 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: |
SNC1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7166±0.00933381 |
| Normalized OD Score: sc h |
1.0010±0.001358 |
| Z-Score: |
0.0460±0.0739244 |
| p-Value: |
0.958356 |
| Z-Factor: |
-29.1659 |
| Fitness Defect: |
0.0425 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|F2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.00 Celcius | | Date: | 2008-04-24 YYYY-MM-DD | | Plate CH Control (+): | 0.040975±0.00078 | | Plate DMSO Control (-): | 0.710875±0.01855 | | Plate Z-Factor: | 0.9096 |
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ps
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| 296097 |
1-(7-bicyclo[3.3.1]non-3-enyl)ethanone |
| 314388 |
17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phe
nanthren-3-one |
| 440345 |
(4S,5S,9R,10R,13S,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,9,11,12,14,15,16,17
-dodecahydrocyclopenta[a]phenanthren-3-one |
| 520440 |
2-(4-methyl-1-cyclohex-3-enyl)propanal |
| 524201 |
2-(3-methyl-1-cyclohex-3-enyl)propanal |
| 534298 |
4a-methyl-1,3,4,5,8,8a-hexahydronaphthalen-2-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
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