A database of hormones and their receptors| A database of hormones and their receptors |
|
|
|
|
|
|
|
| HMRbase accession number | 1321 |
| PubChem ID | 30322 |
| Hormone name | Digoxin |
| Description | A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666) |
| Synonyms | Digoxin Cardiogoxin Coragoxine Lanacordin Lanoxicaps Lenoxicaps Neodioxanin Acygoxin Cardigox Cardioxin |
| Molecular weight | 780.94 |
| Molecular formula | C41H64O14 |
| IUPAC Name | 4-[(3S,5R,8R,9S,10S,12R,13S,14S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-h ydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one |
| Canonical smiles | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O |
| Isomeric smiles | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C @@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O |
| Structure | |
| PDB file | |
| SDF file | |
| MOL file | |
| PDB ID | N/A |
| KEGG ID | C06956 |
| HMDB ID | HMDB01917 |
| Melting Point | 1.26(EXP) |
| Log P | 64.8(EXP) at 25C |
| Water Solubility | N/A |
| DrugBank ID | DB00390 |
| Drugpedia | wiki |
| Receptor | N/A |
| Comments | !Receptor for this Hormone are either unknown or have not yet been curated |
| References | HMDB |