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ONTOLOGY REPORT - ANNOTATIONS


Term:digitoxin
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Accession:CHEBI:28544 term browser browse the term
Definition:A cardenolide glycoside in which the 3beta-hydroxy group of digitoxigenin carries a 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 trisaccharide chain.
Synonyms:exact_synonym: 3beta-[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide
 related_synonym: Crystodigin (TN);   Digitoxoside;   Formula=C41H64O13;   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=WDJUZGPOPHTGOT-XUDUSOBPSA-N;   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
 alt_id: CHEBI:23728;   CHEBI:4549
 xref: Beilstein:76678 "Beilstein";   CAS:71-63-6 "ChemIDplus";   CAS:71-63-6 "KEGG COMPOUND";   DrugBank:DB01396;   Drug_Central:881 "DrugCentral";   KEGG:C06955;   KEGG:D00297;   KNApSAcK:C00003617
 xref_mesh: MESH:D004074
 xref: PMID:10438974 "Europe PMC";   PMID:10687899 "Europe PMC";   PMID:26573786 "Europe PMC";   Reaxys:76678 "Reaxys";   Wikipedia:Digitoxin
 cyclic_relationship: is_conjugate_acid_of CHEBI:145796


show annotations for term's descendants       view all columns           Sort by:
 
digitoxin term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Abcb1a ATP binding cassette subfamily B member 1A JBrowse link 4 22,339,829 22,517,642 RGD:6480464
G Ar androgen receptor JBrowse link X 67,656,253 67,828,998 RGD:6480464
G Birc5 baculoviral IAP repeat-containing 5 JBrowse link 10 106,856,097 106,864,419 RGD:6480464
G Casp3 caspase 3 JBrowse link 16 48,845,011 48,863,249 RGD:6480464
G Casp8 caspase 8 JBrowse link 9 65,614,142 65,662,624 RGD:6480464
G Casp9 caspase 9 JBrowse link 5 160,356,211 160,373,774 RGD:6480464
G Ccl2 C-C motif chemokine ligand 2 JBrowse link 10 69,412,065 69,413,863 RGD:6480464
G Ccnb1 cyclin B1 JBrowse link 2 30,782,133 30,791,106 RGD:6480464
G Cdk1 cyclin-dependent kinase 1 JBrowse link 20 20,576,341 20,591,510 RGD:6480464
G Cdkn1a cyclin-dependent kinase inhibitor 1A JBrowse link 20 6,348,422 6,358,864 RGD:6480464
G Cdkn1b cyclin-dependent kinase inhibitor 1B JBrowse link 4 168,689,043 168,694,159 RGD:6480464
G Chek1 checkpoint kinase 1 JBrowse link 8 39,181,162 39,201,588 RGD:6480464
G Chek2 checkpoint kinase 2 JBrowse link 12 51,845,574 51,878,098 RGD:6480464
G Cycs cytochrome c, somatic JBrowse link 4 80,331,226 80,333,326 RGD:6480464
G Esr1 estrogen receptor 1 JBrowse link 1 41,192,029 41,594,799 RGD:6480464
G Esr2 estrogen receptor 2 JBrowse link 6 99,163,953 99,214,711 RGD:6480464
G Fancd2 FA complementation group D2 JBrowse link 4 145,489,869 145,551,479 RGD:6480464
G Fanci FA complementation group I JBrowse link 1 141,116,565 141,172,997 RGD:6480464
G Il1b interleukin 1 beta JBrowse link 3 121,876,256 121,882,637 RGD:6480464
G Mapk1 mitogen activated protein kinase 1 JBrowse link 11 88,203,863 88,273,301 RGD:6480464
G Mapk3 mitogen activated protein kinase 3 JBrowse link 1 198,192,773 198,198,975 RGD:6480464
G Nfkb1 nuclear factor kappa B subunit 1 JBrowse link 2 240,773,520 240,890,053 RGD:6480464
G Nfkbia NFKB inhibitor alpha JBrowse link 6 76,267,227 76,270,457 RGD:6480464
G Nos3 nitric oxide synthase 3 JBrowse link 4 7,321,908 7,342,404 RGD:6480464
G Pgr progesterone receptor JBrowse link 8 7,128,656 7,187,796 RGD:6480464
G Thra thyroid hormone receptor alpha JBrowse link 10 86,657,285 86,684,935 RGD:6480464
G Thrb thyroid hormone receptor beta JBrowse link 15 8,890,578 9,239,815 RGD:6480464
G Tp53 tumor protein p53 JBrowse link 10 56,186,299 56,198,449 RGD:6480464
G Vcam1 vascular cell adhesion molecule 1 JBrowse link 2 219,071,193 219,090,931 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19748
    role 19695
      application 19350
        pharmaceutical 19224
          drug 19224
            protective agent 16347
              cardioprotective agent 1176
                cardiac glycoside 208
                  cardenolide glycoside 208
                    digitoxin 29
                      3'''-O-acetyldigitoxin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      carbon group element atom 19522
                        carbon atom 19516
                          organic molecular entity 19516
                            organic group 18426
                              organic divalent group 18418
                                organodiyl group 18418
                                  carbonyl group 18306
                                    carbonyl compound 18306
                                      carboxylic ester 13987
                                        lactone 5869
                                          gamma-lactone 1197
                                            butenolide 340
                                              cardenolides 212
                                                cardenolide glycoside 208
                                                  digitoxin 29
                                                    3'''-O-acetyldigitoxin 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.