The Drug Ontology

Last uploaded: February 15, 2019
Preferred Name

Digoxin

Synonyms

12beta-hydroxydigitoxin

InChIKey=LTMHDMANZUZIPE-PUGKRICDSA-N

(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

C41H64O14

[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

digoxin

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

Definitions

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

database_cross_reference

KEGG COMPOUND:C06956

PDBeChem:DGX

KEGG COMPOUND:20830-75-5

KEGG DRUG:D00298

ChEMBL:616935

CiteXplore:10438974

PDB:1IGJ

ChemIDplus:20830-75-5

CiteXplore:8234291

Wikipedia:Digoxin

Beilstein:77011

DrugBank:DB00390

ChEMBL:569365

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_related_synonym

12beta-hydroxydigitoxin

InChIKey=LTMHDMANZUZIPE-PUGKRICDSA-N

C41H64O14

[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

digoxin

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

has_RxCUI

3407

id

CHEBI:4551

label

Digoxin

digoxin

notation

CHEBI:4551

prefixIRI

CHEBI:4551

prefLabel

Digoxin

textual definition

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.

subClassOf

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

http://purl.obolibrary.org/obo/CHEBI_60583

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http://purl.bioontology.org/ontology/CPT/1022259 CPT LOOM
http://purl.obolibrary.org/obo/dinto_2861 DINTO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.808.155.160.349 RH-MESH LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D004077 RH-MESH LOOM
http://purl.obolibrary.org/obo/CHEBI_4551 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_4551 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4551 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_4551 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4551 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_4551 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4551 MONDO LOOM
http://purl.obolibrary.org/obo/CHEBI_4551 MONDO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4551 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_4551 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4551 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_4551 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4551 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_4551 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4551 HINO LOOM
http://purl.obolibrary.org/obo/CHEBI_4551 HINO SAME_URI
http://bmi.utah.edu/ontologies/hfontology/C0012265 HFO LOOM
http://purl.bioontology.org/ontology/CSP/0567-2682 CRISP LOOM
http://purl.bioontology.org/ontology/RXNORM/3407 RXNORM LOOM
http://d-nb.info/gnd/4012306-6 FAST-TOPICAL LOOM
http://purl.bioontology.org/ontology/SNMI/C-80330 SNMI LOOM
http://purl.bioontology.org/ontology/VANDF/4018047 VANDF LOOM
http://purl.bioontology.org/ontology/UATC/C01AA05 ATC LOOM
http://purl.obolibrary.org/obo/XCO_0000619 XCO LOOM
http://purl.obolibrary.org/obo/XCO_0000619 XCO LOOM
http://purl.bioontology.org/ontology/NDDF/000593 NDDF LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000485249 PDQ LOOM
http://purl.bioontology.org/ontology/LNC/LP14714-7 LOINC LOOM
https://bioportal.bioontology.org/ontologies/DMTO.owl#DMTO_0001804 DMTO LOOM
http://ontology.apa.org/apaonto/termsonlyOUT%20(5).owl#Digoxin APAONTO LOOM
http://purl.bioontology.org/ontology/MESH/D004077 MESH LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.808.155.580.130.500.436 RH-MESH LOOM
http://stirdf.jst.go.jp/id/200907085872788919 IOBC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D09.408.180.261.436 RH-MESH LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C28990 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C28990 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C28990 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C28990 NCIT LOOM
https://bioportal.bioontology.org/ontologies/FTDM.owl#DMTO_0001804 FASTO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000146388 NDFRT LOOM
http://purl.jp/bio/4/id/200906050095521421 IOBC LOOM
http://www.drugbank.ca/drugs/DB00390 FTC LOOM
http://purl.bioontology.org/ontology/LNC/MTHU001808 LOINC LOOM
http://www.co-ode.org/ontologies/galen#Digoxin GALEN LOOM
http://id.loc.gov/authorities/subjects/sh85037995 FAST-TOPICAL LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387461009 SNOMEDCT LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000146388 OCVDAE LOOM