| Compound Information | SONAR Target prediction | | Name: | TETRAHYDROCORTISONE | | Unique Identifier: | SPE01701047 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21H32O5 | | Molecular Weight: | 333.23 g/mol | | X log p: | -2.158 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC12CCC(O)CC1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(=O)C12 | | Source: | exmicrobial degradation of cortisone | | Reference: | J Biol Chem 111: 599 (1935); 114: 613 (1936);124: 459 (1938); Z Naturforsch B 18:
284 (1963) |
| Species: |
4932 |
| Condition: |
BIK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6787±0.0100409 |
| Normalized OD Score: sc h |
1.0084±0.0264712 |
| Z-Score: |
0.3732±1.16285 |
| p-Value: |
0.442644 |
| Z-Factor: |
-13.1664 |
| Fitness Defect: |
0.815 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 7|G10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.80 Celcius | | Date: | 2007-11-08 YYYY-MM-DD | | Plate CH Control (+): | 0.0406±0.00245 | | Plate DMSO Control (-): | 0.663125±0.01695 | | Plate Z-Factor: | 0.9134 |
|  png
ps
pdf |
| 5866 |
(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,1
5,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one |
| 65554 |
(5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-do
decahydrocyclopenta[a]phenanthrene-3,11-dione |
| 101762 |
(3R,5S,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,1
5,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one |
| 440054 |
(5S,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-do
decahydrocyclopenta[a]phenanthrene-3,11-dione |
| 440692 |
(3R,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-c
yclopenta[a]phenanthren-11-one |
| 618110 |
3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta
[a]phenanthren-11-one |
| internal high similarity DBLink | Rows returned: 1 | |
| nonactive | Cluster 7027 | Additional Members: 5 | Rows returned: 4 | |
|
