| 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: |
TRK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5011±0.00516188 |
| Normalized OD Score: sc h |
0.9978±0.0107887 |
| Z-Score: |
-0.0746±0.329699 |
| p-Value: |
0.816162 |
| Z-Factor: |
-31.4506 |
| Fitness Defect: |
0.2031 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|F2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.80 Celcius | | Date: | 2008-03-14 YYYY-MM-DD | | Plate CH Control (+): | 0.0399±0.00066 | | Plate DMSO Control (-): | 0.4864±0.01839 | | Plate Z-Factor: | 0.8605 |
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ps
pdf |
| 189565 |
(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-1,2,5,6,7,11,12,
15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| 195724 |
n/a |
| 231043 |
n/a |
| 256236 |
(5S,10S,13R,14R,17S)-17-acetyl-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]p
henanthren-3-one |
| 264500 |
4a-methyl-1,3,4,7,8,8a-hexahydronaphthalen-2-one |
| 278309 |
4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenant
hren-3-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
|
