| 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: |
IRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7241±0.00480833 |
| Normalized OD Score: sc h |
1.0143±0.00348901 |
| Z-Score: |
0.7713±0.21143 |
| p-Value: |
0.44559 |
| Z-Factor: |
-4.91305 |
| Fitness Defect: |
0.8084 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|E2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.00 Celcius | | Date: | 2007-11-23 YYYY-MM-DD | | Plate CH Control (+): | 0.040275±0.00029 | | Plate DMSO Control (-): | 0.70445±0.02269 | | Plate Z-Factor: | 0.8815 |
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ps
pdf |
| 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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