digitoxin

chemical compound

Wikidata entity: Q423890

C₄₁H₆₄O₁₃ (P274)


Wikimedia Commons category is Digitoxin

Quantities

P4250defined daily dose0.1
P2067mass764.434692

P233 canonical SMILES String CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O ???
P373 Commons category String Digitoxin ???
P703 found in taxon ... Q157085 (Digitalis grandiflora) Digitalis grandiflora
P703 found in taxon ... Q157555 (Digitalis purpurea) Digitalis purpurea
P703 found in taxon ... Q3737374 (Digitalis obscura) Digitalis obscura
P703 found in taxon ... Q4312974 (Digitalis ciliata) Digitalis ciliata
P703 found in taxon ... Q157838 (Digitalis lanata) Digitalis lanata
P703 found in taxon ... Q2093042 (Digitalis parviflora) Digitalis parviflora
P703 found in taxon ... Q12233542 (Digitalis viridiflora) Digitalis viridiflora
P1552 has characteristic ... Q1517187 (bitterness) bitterness
P366 has use ... Q12140 (medication) medication
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O ???
P2175 medical condition treated ... Q1598909 (supraventricular tachycardia) supraventricular tachycardia
P2175 medical condition treated ... Q815819 (atrial fibrillation) atrial fibrillation
P2175 medical condition treated ... Q19000661 (congestive heart failure) congestive heart failure
P129 physically interacts with ... Q21097491 (ATPase Na+/K+ transporting subunit alpha 1) ATPase Na+/K+ transporting subunit alpha 1
P3364 stereoisomer of ... Q105302449 (digitoxin epimer) digitoxin epimer
P279 subclass of ... Q108650539 (cardanolides) cardanolides
P2868 subject has role ... Q2938102 (cardiotonic) cardiotonic
P2868 subject has role ... Q241549 (antiarrhythmic agent) antiarrhythmic agent
P2868 subject has role ... Q427492 (enzyme inhibitor) enzyme inhibitor
P2275 World Health Organisation international non-proprietary name Monolingualtext digitoxin ???
External Ids
P267ATC codeC01AA04
P11931CAMEO Chemicals ID4954
P231CAS Registry Number71-63-6
P683ChEBI ID28544
P592ChEMBL IDCHEMBL254219
P661ChemSpider ID389987
P715DrugBank IDDB01396
P11198DrugCentral ID881
P8494DSSTOX compound identifierDTXCID102933
P3117DSSTox substance IDDTXSID0022933
P232EC number200-760-5
P2566ECHA Substance Infocard ID100.000.691
P9635electronic Essential Medicines List medicine ID499
P4746Elhuyar ZTH ID022371
P10565Encyclopedia of China (Third Edition) ID449203
P1417Encyclopædia Britannica Online IDscience/digitoxin
P3219Encyclopædia Universalis IDdigitaline
P646Freebase ID/m/01xc6w
P4342Great Norwegian Encyclopedia IDdigitoksin
P595Guide to Pharmacology Ligand ID6782
P7025HCIS ID1369
P2062HSDB ID215
P2057Human Metabolome Database IDHMDB0015468
P234InChIInChI=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
P235InChIKeyWDJUZGPOPHTGOT-XUDUSOBPSA-N
P3827JSTOR topic ID (archived)digitoxins
P665KEGG IDD00297
P2064KNApSAcK IDC00003617
P2063LIPID MAPS IDLMST01120018
P6689MassBank accession IDMSBNK-Waters-WA000565
P6689MassBank accession IDMSBNK-Waters-WA000566
P6689MassBank accession IDMSBNK-Waters-WA000567
P6689MassBank accession IDMSBNK-Waters-WA000568
P6694MeSH concept IDM0006383
P486MeSH descriptor IDD004074
P672MeSH tree codeD04.210.500.155.580.130.500.336
P672MeSH tree codeD04.210.500.155.580.130.625
P672MeSH tree codeD09.408.180.261.336
P6366Microsoft Academic ID (discontinued)2780628665
P2115NDF-RT IDN0000145817
P2840NSC number7529
P2840NSC number756737
P10283OpenAlex IDC2780628665
P3636PDB ligand IDF9R
P11199Probes And Drugs IDPD009517
P662PubChem CID441207
P1579Reaxys registry number76678
P3345RxNorm CUI3403
P5076Römpp online IDRD-04-01495
P4964SPLASHsplash10-000i-0000000900-da4cb33840848466cc2e
P4964SPLASHsplash10-052f-0000038900-ce876c40fbc729e75343
P4964SPLASHsplash10-052g-9620000000-5ddc0df4702d2f0b8581
P2877SureChEMBL ID20940
P2892UMLS CUIC0012258
P11089UniChem compound ID152336
P652UNIIE90NZP2L9U
P11143WikiProjectMed IDDigitoxin
P8814WordNet 3.1 Synset ID03202350-n
P679ZVG number36190

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