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: |
BCK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6774±0.0172534 |
Normalized OD Score: sc h |
1.0121±0.0185604 |
Z-Score: |
0.3493±0.356528 |
p-Value: |
0.735082 |
Z-Factor: |
-6.95888 |
Fitness Defect: |
0.3078 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 9|E2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.40 Celcius | Date: | 2006-03-24 YYYY-MM-DD | Plate CH Control (+): | 0.038925±0.00232 | Plate DMSO Control (-): | 0.684125±0.02052 | Plate Z-Factor: | 0.8975 |
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5364566 |
17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclope nta[a]phenanthren-3-one |
5364717 |
(E)-henicos-6-en-11-one |
5365655 |
1-[(4E)-1-cyclooct-4-enyl]propan-1-one |
5369117 |
1-[(4E)-1-cyclooct-4-enyl]ethanone |
5377822 |
17-[(E)-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 |
5487443 |
(5R,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 |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
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