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: |
VPH1 |
Replicates: |
2 |
Raw OD Value: r im |
0.4677±0.0323855 |
Normalized OD Score: sc h |
1.0410±0.0261333 |
Z-Score: |
0.7487±0.519589 |
p-Value: |
0.483652 |
Z-Factor: |
-2.94359 |
Fitness Defect: |
0.7264 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 24|F2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.00 Celcius | Date: | 2008-03-01 YYYY-MM-DD | Plate CH Control (+): | 0.039650000000000005±0.00359 | Plate DMSO Control (-): | 0.440925±0.01662 | Plate Z-Factor: | 0.8719 |
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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 | |
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