The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

digitoxin

Synonyms

C41H64O13

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

ID

http://purl.obolibrary.org/obo/dinto_DB01396

AHFScode

92:02.00*

ATCCode

C01AA01

C01AA04

CASRN

71-63-6

DBBrand

crystodigin

tardigal

DBSynonym

digitoxinum

digitoxoside

digitoksin

Definition

A cardiac glycoside sometimes used in place of digoxin. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665)

has pharmacological target

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

InChI

InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1

InChIKey

InChIKey=WDJUZGPOPHTGOT-XUDUSOBPSA-N

inhibits

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

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

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

is metabolised by

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

is transported by

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

label

digitoxin

may interact with

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

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

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

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

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

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

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

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

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

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

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

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

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

prefixIRI

obo2:dinto_DB01396

prefLabel

digitoxin

related with

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

http://purl.obolibrary.org/obo/dinto_0217

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(CC[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

C41H64O13

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

xref

PubChem Compound:441207

ChEBI:28544

PharmGKB:PA449316

ChemSpider:389987

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

PubChem Substance:46506035

Drugs Product Database (DPD):2236621

subClassOf

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

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http://phenomebrowser.net/ontologies/mesh/mesh.owl#D004074 RH-MESH LOOM
http://purl.bioontology.org/ontology/VANDF/4017429 VANDF LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D09.408.180.261.336 RH-MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0012258 OCHV LOOM
http://purl.bioontology.org/ontology/LNC/MTHU005179 LOINC LOOM
http://stirdf.jst.go.jp/id/200907042815513309 IOBC LOOM
http://purl.obolibrary.org/obo/CHEBI_28544 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_28544 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_28544 INBANCIDO LOOM
http://purl.obolibrary.org/obo/CHEBI_28544 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_28544 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_28544 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_28544 CIDO LOOM
http://purl.obolibrary.org/obo/CHEBI_28544 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_28544 NIFSTD LOOM
http://purl.obolibrary.org/obo/MESH_D004074 BERO LOOM
http://purl.obolibrary.org/obo/DRON_00016250 INBANCIDO LOOM
http://purl.obolibrary.org/obo/DRON_00016250 CIDO LOOM
http://purl.bioontology.org/ontology/LNC/LP16113-0 LOINC LOOM
http://purl.bioontology.org/ontology/RXNORM/3403 RXNORM LOOM
http://purl.obolibrary.org/obo/NCIT_C2634 BERO LOOM
http://purl.bioontology.org/ontology/RCD/b12.. RCD LOOM
http://purl.bioontology.org/ontology/MESH/D004074 MESH LOOM
http://purl.obolibrary.org/obo/OMIT_0005343 OMIT LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000145817 INBANCIDO LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000145817 CIDO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000145817 NDFRT LOOM
http://purl.bioontology.org/ontology/SNMI/C-80320 SNMI LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C2634 NCIT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#3944 OCHV LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.808.155.160.278 RH-MESH LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018561 PMAPP-PMO LOOM
http://purl.jp/bio/4/id/200906060083086644 IOBC LOOM
https://go.drugbank.com/drugs/DB01396 MDM LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/373534001 SNOMEDCT LOOM
http://www.co-ode.org/ontologies/galen#Digitoxin GALEN LOOM
http://bmi.utah.edu/ontologies/hfontology/C0012258 HFO LOOM
http://www.drugbank.ca/drugs/DB01396 FTC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.808.155.580.130.500.336 RH-MESH LOOM
http://purl.bioontology.org/ontology/ATC/C01AA04 ATC LOOM