| 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: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7044±0.00975807 |
| Normalized OD Score: sc h |
1.0126±0.0116923 |
| Z-Score: |
0.6821±0.624913 |
| p-Value: |
0.53561 |
| Z-Factor: |
-9.60742 |
| Fitness Defect: |
0.6243 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|E2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.00 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.041624999999999995±0.00032 | | Plate DMSO Control (-): | 0.684675±0.01815 | | Plate Z-Factor: | 0.9186 |
|  png
ps
pdf |
| 5321513 |
(10R,13S)-17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocycl
openta[a]phenanthren-3-one |
| 5321958 |
(10S,13R,14R,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methyl-5-oxo-heptan-2-yl]-1,2,5,6,9,11,12,15,16,17
-decahydrocyclopenta[a]phenanthren-3-one |
| 5358163 |
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 |
| 5362736 |
(5E)-cyclohexadec-5-en-1-one |
| 5363254 |
(E)-5-methylhenicos-6-en-11-one |
| 5363346 |
(4E)-cyclooct-4-ene-1-carbaldehyde |
| internal high similarity DBLink | Rows returned: 5 | |
| nonactive | Cluster 5085 | Additional Members: 3 | Rows returned: 2 | |
|
