Preferred Name

digoxin

Synonyms

12beta-hydroxydigitoxin

(3beta,5beta,12beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide

digoxin

Definitions

A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small.

ID

http://purl.obolibrary.org/obo/CHEBI_4551

charge

0

database_cross_reference

PMID:10438974

PDBeChem:DGX

PMID:8234291

KEGG:C06956

PDB:1IGJ

Wikipedia:Digoxin

PMID:16970134

Beilstein:77011

KEGG:D00298

KNApSAcK:C00003618

Drug_Central:882

PMID:7739045

CAS:20830-75-5

DrugBank:DB00390

Reaxys:77011

definition

A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small.

formula

C41H64O14

has role

http://purl.obolibrary.org/obo/CHEBI_53000

http://purl.obolibrary.org/obo/CHEBI_63510

http://purl.obolibrary.org/obo/CHEBI_38070

http://purl.obolibrary.org/obo/CHEBI_38147

has_alternative_id

CHEBI:569365

CHEBI:616935

CHEBI:41856

has_exact_synonym

(3beta,5beta,12beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide

has_obo_namespace

chebi_ontology

has_related_synonym

12beta-hydroxydigitoxin

digoxin

id

CHEBI:4551

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1

inchikey

LTMHDMANZUZIPE-PUGKRICDSA-N

label

digoxin

mass

780.93850

monoisotopicmass

780.42961

notation

CHEBI:4551

prefLabel

digoxin

smiles

[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1

treeView

http://purl.obolibrary.org/obo/CHEBI_61655

http://purl.obolibrary.org/obo/CHEBI_38092

subClassOf

http://purl.obolibrary.org/obo/CHEBI_61655

http://purl.obolibrary.org/obo/CHEBI_38092

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http://purl.bioontology.org/ontology/CPT/1022259 CPT LOOM
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http://purl.obolibrary.org/obo/CHEBI_4551 DINTO SAME_URI
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http://bmi.utah.edu/ontologies/hfontology/C0012265 HFO LOOM
http://purl.bioontology.org/ontology/CSP/0567-2682 CRISP LOOM
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http://d-nb.info/gnd/4012306-6 FAST-TOPICAL LOOM
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https://bioportal.bioontology.org/ontologies/DMTO.owl#DMTO_0001804 DMTO LOOM
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