| 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: |
REF2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3891±0.00685894 |
| Normalized OD Score: sc h |
0.9280±0.0196899 |
| Z-Score: |
-2.0873±0.584702 |
| p-Value: |
0.053275 |
| Z-Factor: |
-1.12075 |
| Fitness Defect: |
2.9323 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|F2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.50 Celcius | | Date: | 2008-08-27 YYYY-MM-DD | | Plate CH Control (+): | 0.042525±0.00054 | | Plate DMSO Control (-): | 0.37665000000000004±0.01059 | | Plate Z-Factor: | 0.9259 |
|  png
ps
pdf |
| 7052942 |
(5S,10R,13S,14R)-10,13-dimethyl-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| 7052943 |
(5S,10R,13R,14R)-10,13-dimethyl-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| 7052944 |
(5S,10S,13S,14R)-10,13-dimethyl-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| 7052945 |
(5S,10S,13R,14R)-10,13-dimethyl-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| 7076387 |
(5S,8R,10S,13R,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]ph
enanthren-3-one |
| 7076388 |
(5S,8R,10S,13R,14R,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]ph
enanthren-3-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
|
