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: |
WHI5 |
Replicates: |
2 |
Raw OD Value: r im |
0.6858±0.000848528 |
Normalized OD Score: sc h |
1.0099±0.00338427 |
Z-Score: |
0.5192±0.152863 |
p-Value: |
0.60573 |
Z-Factor: |
-3.46008 |
Fitness Defect: |
0.5013 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 24|F2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.20 Celcius | Date: | 2008-09-16 YYYY-MM-DD | Plate CH Control (+): | 0.0413±0.00107 | Plate DMSO Control (-): | 0.675125±0.01420 | Plate Z-Factor: | 0.9122 |
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5743081 |
n/a |
5748344 |
(9R,10R,13S,14R,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16 ,17-dodecahydrocyclopenta[a]phenanthren-3-one |
6100688 |
n/a |
6428349 |
1-[(2R,8R,8aS)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]ethanone |
6436804 |
(9R,10R,13S,14R,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16 ,17-dodecahydrocyclopenta[a]phenanthren-3-one |
6437472 |
2-[(E)-hex-3-enyl]cyclopentan-1-one |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
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