The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

digoxin

Synonyms

12beta-hydroxydigitoxin

4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(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-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one

(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

digoxin

ID

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

AHFScode

80:04.00

24:04.08

altId

CHEBI:569365

CHEBI:616935

CHEBI:41856

ATCCode

C01AA05

V03AB24

C01AA02

C01AA08

CASRN

20830-75-5

DBBrand

lanicor

sk-digoxin

lanoxin

digitekt

cogoxin

neo-lanicor

cordioxil

lanacrist

dynamos

digoxin pediatric

neodioxanin

vanoxin

digacin

lenoxicaps

cardoxin

eudigox

dixina

dokim

homolle's digitalin

rougoxin

lanoxicaps

davoxin

dilanacin

lanacordin

stillacor

lenoxin

longdigox

DBname

digoxin

DBSynonym

digitalis glycoside

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.

has pharmacological target

http://purl.obolibrary.org/obo/dinto_2664

has role

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

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

http://purl.obolibrary.org/obo/CHEBI_23924

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

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

InChIKey=LTMHDMANZUZIPE-PUGKRICDSA-N

induces

http://purl.obolibrary.org/obo/dinto_1440

inhibits

http://purl.obolibrary.org/obo/dinto_2019

http://purl.obolibrary.org/obo/dinto_0266

http://purl.obolibrary.org/obo/dinto_1440

http://purl.obolibrary.org/obo/dinto_1805

http://purl.obolibrary.org/obo/dinto_1975

is metabolised by

http://purl.obolibrary.org/obo/dinto_0901

is transported by

http://purl.obolibrary.org/obo/dinto_2019

http://purl.obolibrary.org/obo/dinto_1987

http://purl.obolibrary.org/obo/dinto_1824

http://purl.obolibrary.org/obo/dinto_1822

http://purl.obolibrary.org/obo/dinto_1440

http://purl.obolibrary.org/obo/dinto_3489

http://purl.obolibrary.org/obo/dinto_1780

http://purl.obolibrary.org/obo/dinto_1774

http://purl.obolibrary.org/obo/dinto_1322

http://purl.obolibrary.org/obo/dinto_1815

label

digoxin

may interact with

http://purl.obolibrary.org/obo/CHEBI_7956

http://purl.obolibrary.org/obo/dinto_DB01346

http://purl.obolibrary.org/obo/dinto_DB01324

http://purl.obolibrary.org/obo/CHEBI_71417

http://purl.obolibrary.org/obo/dinto_DB04855

http://purl.obolibrary.org/obo/CHEBI_49575

http://purl.obolibrary.org/obo/dinto_DB01323

http://purl.obolibrary.org/obo/CHEBI_9434

http://purl.obolibrary.org/obo/CHEBI_5280

http://purl.obolibrary.org/obo/dinto_DB06212

http://purl.obolibrary.org/obo/CHEBI_9334

http://purl.obolibrary.org/obo/dinto_DB00503

http://purl.obolibrary.org/obo/CHEBI_64354

http://purl.obolibrary.org/obo/dinto_DB00199

http://purl.obolibrary.org/obo/dinto_DB00279

http://purl.obolibrary.org/obo/dinto_DB01432

http://purl.obolibrary.org/obo/CHEBI_3732

http://purl.obolibrary.org/obo/CHEBI_47426

http://purl.obolibrary.org/obo/CHEBI_65349

http://purl.obolibrary.org/obo/dinto_DB01341

http://purl.obolibrary.org/obo/CHEBI_68595

http://purl.obolibrary.org/obo/dinto_DB00310

http://purl.obolibrary.org/obo/CHEBI_3640

http://purl.obolibrary.org/obo/dinto_DB00232

http://purl.obolibrary.org/obo/dinto_DB00243

http://purl.obolibrary.org/obo/dinto_DB01118

http://purl.obolibrary.org/obo/CHEBI_15854

http://purl.obolibrary.org/obo/dinto_DB00976

http://purl.obolibrary.org/obo/CHEBI_73274

http://purl.obolibrary.org/obo/CHEBI_8466

http://purl.obolibrary.org/obo/CHEBI_44185

http://purl.obolibrary.org/obo/CHEBI_4876

http://purl.obolibrary.org/obo/dinto_DB08810

http://purl.obolibrary.org/obo/dinto_DB01359

http://purl.obolibrary.org/obo/dinto_DB01167

http://purl.obolibrary.org/obo/CHEBI_3013

http://purl.obolibrary.org/obo/CHEBI_3047

http://purl.obolibrary.org/obo/dinto_DB01404

http://purl.obolibrary.org/obo/CHEBI_5893

http://purl.obolibrary.org/obo/CHEBI_9948

http://purl.obolibrary.org/obo/CHEBI_8768

http://purl.obolibrary.org/obo/dinto_DB01021

http://purl.obolibrary.org/obo/CHEBI_8364

http://purl.obolibrary.org/obo/CHEBI_4027

http://purl.obolibrary.org/obo/dinto_DB00290

http://purl.obolibrary.org/obo/CHEBI_8502

http://purl.obolibrary.org/obo/dinto_DB04896

http://purl.obolibrary.org/obo/CHEBI_18332

http://purl.obolibrary.org/obo/CHEBI_9241

http://purl.obolibrary.org/obo/dinto_DB01583

http://purl.obolibrary.org/obo/dinto_DB00859

http://purl.obolibrary.org/obo/CHEBI_28593

http://purl.obolibrary.org/obo/dinto_DB00541

http://purl.obolibrary.org/obo/dinto_DB01584

http://purl.obolibrary.org/obo/CHEBI_3441

http://purl.obolibrary.org/obo/CHEBI_4031

http://purl.obolibrary.org/obo/CHEBI_2376

http://purl.obolibrary.org/obo/dinto_DB00997

http://purl.obolibrary.org/obo/dinto_DB00582

http://purl.obolibrary.org/obo/dinto_DB00999

http://purl.obolibrary.org/obo/CHEBI_27999

http://purl.obolibrary.org/obo/CHEBI_3213

http://purl.obolibrary.org/obo/CHEBI_31448

http://purl.obolibrary.org/obo/dinto_DB00774

http://purl.obolibrary.org/obo/CHEBI_71193

http://purl.obolibrary.org/obo/CHEBI_59602

http://purl.obolibrary.org/obo/CHEBI_9588

http://purl.obolibrary.org/obo/CHEBI_39112

http://purl.obolibrary.org/obo/CHEBI_31739

http://purl.obolibrary.org/obo/CHEBI_28680

http://purl.obolibrary.org/obo/CHEBI_5801

http://purl.obolibrary.org/obo/CHEBI_3423

http://purl.obolibrary.org/obo/CHEBI_2611

http://purl.obolibrary.org/obo/dinto_DB01325

http://purl.obolibrary.org/obo/dinto_DB00509

http://purl.obolibrary.org/obo/CHEBI_50673

http://purl.obolibrary.org/obo/dinto_DB01157

prefixIRI

obo2:CHEBI_4551

prefLabel

digoxin

related with

http://purl.obolibrary.org/obo/dinto_2664

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

Synonym

12beta-hydroxydigitoxin

4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(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-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one

(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

digoxin

xref

CiteXplore:7739045

RxList:http://www.rxlist.com/cgi/generic/dig.htm

KEGG COMPOUND:C06956

Drugs Product Database (DPD):2242323

PDBeChem:DGX

KEGG DRUG:D00298

ChEMBL:681814

Drugs.com:http://www.drugs.com/digoxin.html

CiteXplore:10438974

Wikipedia:http://en.wikipedia.org/wiki/Digoxin

PDB:1IGJ

CASRN:20830-75-5

BindingDB:50115625

CiteXplore:8234291

ChEBI:4551

Wikipedia:Digoxin

National Drug Code Directory:62584-989-01

PharmGKB:PA449319

Beilstein:77011

DrugBank:DB00390

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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http://purl.bioontology.org/ontology/CPT/1022259 CPT 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 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_4551 DRON 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.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
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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