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CHEBI:53773 - 3'''-O-acetyldigitoxin
| Formula | C43H66O14 |
| Net Charge | 0 |
| Average Mass | 806.987 |
| Monoisotopic Mass | 806.44526 |
| SMILES | [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@]3(O)CC[C@]4([H])C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O[C@H]1C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O1)C2 |
| InChI | InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1 |
| InChIKey | HPMZBILYSWLILX-UMDUKNJSSA-N |
| Roles Classification |
|---|
| Biological Role: | enzyme inhibitor A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. |
| Applications: | cardiotonic drug A drug that has a strengthening effect on the heart or that can increase cardiac output. anti-arrhythmia drug A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. cardioprotective agent Any protective agent that is able to prevent damage to the heart. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3'''-O-acetyldigitoxin (CHEBI:53773) has functional parent digitoxin (CHEBI:28544) |
| 3'''-O-acetyldigitoxin (CHEBI:53773) has role anti-arrhythmia drug (CHEBI:38070) |
| 3'''-O-acetyldigitoxin (CHEBI:53773) has role cardiotonic drug (CHEBI:38147) |
| 3'''-O-acetyldigitoxin (CHEBI:53773) has role enzyme inhibitor (CHEBI:23924) |
| 3'''-O-acetyldigitoxin (CHEBI:53773) is a cardenolide glycoside (CHEBI:38092) |
| IUPAC Name |
|---|
| 3β-[3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyloxy]-14-hydroxy-5β-card-20(22)-enolide |
| INNs | Source |
|---|---|
| acetyldigitoxin | KEGG DRUG |
| acetildigitoxina | ChemIDplus |
| acetyldigitoxinum | ChemIDplus |
| Synonyms | Source |
|---|---|
| Acetylgitoxin | KEGG GLYCAN |
| Acetylgitaloxin | KEGG GLYCAN |
| Acetyldiginatin | KEGG GLYCAN |
| Acetyl-digitoxin-alpha | ChemIDplus |
| Desglucolanatoside A | ChemIDplus |
| Digitoxin 3'''-acetate | ChemIDplus |
| Citations |
|---|