7449 : (2R,3R,4S,5S,6R)-2-{[(3R,5R)-1-(3,4-dihydroxyphenyl)-5-hydroxy-7-(4-hydroxyphenyl)heptan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 7449 |
| Name | (2R,3R,4S,5S,6R)-2-{[(3R,5R)-1-(3,4-dihydroxyphenyl)-5-hydroxy-7-(4-hydroxyphenyl)heptan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
| smile | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@@H](C[C@@H](CCC1=CC=C(C=C1)O)O)CCC1=CC=C(C(=C1)O)O |
| weight | 495 |
| scaffold ID | 342 |
| scaffold smile | c1ccc(CCCCC(CCc2ccccc2)OC2CCCCO2)cc1 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1C1 | Peroxisome proliferator activated receptor alpha | 7449 | (2R,3R,4S,5S,6R)-2-{[(3R,5R)-1-(3,4-dihydroxyphenyl)-5-hydroxy-7-(4-hydroxyphenyl)heptan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol | 42.9 |
Scaffold Activities Statistic