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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

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;   CAS:71-63-6;   DrugBank:DB01396;   Drug_Central:881;   KEGG:C06955;   KEGG:D00297;   KNApSAcK:C00003617
 xref_mesh: MESH:D004074
 xref: PMID:10438974;   PMID:10687899;   PMID:26573786;   Reaxys:76678;   Wikipedia:Digitoxin
 cyclic_relationship: is_conjugate_acid_of CHEBI:145796


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digitoxin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb1a ATP binding cassette subfamily B member 1A multiple interactions
increases transport
ISO Digitoxin inhibits the reaction [ABCB1 protein results in increased transport of quinidinium]
ABCB1 protein results in increased transport of Digitoxin
CTD PMID:23104431 PMID:26708294 NCBI chr 4:22,339,829...22,517,642
Ensembl chr 4:22,133,521...22,425,515
JBrowse link
G Ar androgen receptor multiple interactions ISO Digitoxin binds to and results in decreased activity of AR protein CTD PMID:25752796 NCBI chr  X:67,656,253...67,828,998
Ensembl chr  X:67,656,253...67,829,026
JBrowse link
G Birc5 baculoviral IAP repeat-containing 5 decreases expression ISO Digitoxin analog results in decreased expression of BIRC5 protein; Digitoxin results in decreased expression of BIRC5 protein CTD PMID:22037315 NCBI chr10:106,856,097...106,864,419
Ensembl chr10:106,856,097...106,864,413
JBrowse link
G Casp3 caspase 3 decreases expression ISO Digitoxin analog results in decreased expression of CASP3 protein; Digitoxin results in decreased expression of CASP3 protein CTD PMID:22037315 NCBI chr16:48,845,011...48,863,249
Ensembl chr16:48,845,012...48,863,204
JBrowse link
G Casp8 caspase 8 increases cleavage ISO Digitoxin analog results in increased cleavage of CASP8 protein; Digitoxin results in increased cleavage of CASP8 protein CTD PMID:22037315 NCBI chr 9:65,614,142...65,662,624
Ensembl chr 9:65,614,142...65,662,106
JBrowse link
G Casp9 caspase 9 increases cleavage ISO Digitoxin analog results in increased cleavage of CASP9 protein; Digitoxin results in increased cleavage of CASP9 protein CTD PMID:22037315 NCBI chr 5:160,356,211...160,373,774
Ensembl chr 5:160,355,833...160,373,778
JBrowse link
G Ccl2 C-C motif chemokine ligand 2 multiple interactions ISO 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one inhibits the reaction [Digitoxin inhibits the reaction [IL1B protein results in increased expression of CCL2 protein]]; Digitoxin inhibits the reaction [IL1B protein results in increased expression of CCL2 protein] CTD PMID:19446813 NCBI chr10:69,412,065...69,413,863
Ensembl chr10:69,412,017...69,413,870
JBrowse link
G Ccnb1 cyclin B1 multiple interactions
decreases expression
ISO Digitoxin analog results in decreased expression of [CCNB1 protein binds to CDK1 protein]; Digitoxin results in decreased expression of [CCNB1 protein binds to CDK1 protein]
Digitoxin analog results in decreased expression of CCNB1 protein; Digitoxin results in decreased expression of CCNB1 protein
CTD PMID:22037315 NCBI chr 2:30,782,133...30,791,106
Ensembl chr 2:30,783,915...30,791,221
JBrowse link
G Cdk1 cyclin-dependent kinase 1 decreases expression
multiple interactions
ISO Digitoxin analog results in decreased expression of CDK1 protein; Digitoxin results in decreased expression of CDK1 protein
Digitoxin analog results in decreased expression of [CCNB1 protein binds to CDK1 protein]; Digitoxin results in decreased expression of [CCNB1 protein binds to CDK1 protein]
CTD PMID:22037315 NCBI chr20:20,576,341...20,591,510
Ensembl chr20:20,576,377...20,591,549
JBrowse link
G Cdkn1a cyclin-dependent kinase inhibitor 1A decreases expression ISO Digitoxin analog results in decreased expression of CDKN1A protein; Digitoxin results in decreased expression of CDKN1A protein CTD PMID:22037315 NCBI chr20:6,348,422...6,358,864
Ensembl chr20:6,351,458...6,358,864
JBrowse link
G Cdkn1b cyclin-dependent kinase inhibitor 1B decreases expression ISO Digitoxin analog results in decreased expression of CDKN1B protein; Digitoxin results in decreased expression of CDKN1B protein CTD PMID:22037315 NCBI chr 4:168,689,043...168,694,159
Ensembl chr 4:168,689,163...168,693,964
JBrowse link
G Chek1 checkpoint kinase 1 decreases expression ISO Digitoxin analog results in decreased expression of CHEK1 protein; Digitoxin results in decreased expression of CHEK1 protein CTD PMID:22037315 NCBI chr 8:39,181,162...39,201,588
Ensembl chr 8:39,181,163...39,243,882
JBrowse link
G Chek2 checkpoint kinase 2 decreases expression ISO Digitoxin analog results in decreased expression of CHEK2 protein; Digitoxin results in decreased expression of CHEK2 protein CTD PMID:22037315 NCBI chr12:51,845,574...51,878,098
Ensembl chr12:51,845,796...51,877,624
JBrowse link
G Cycs cytochrome c, somatic increases expression ISO Digitoxin analog results in increased expression of CYCS protein; Digitoxin results in increased expression of CYCS protein CTD PMID:22037315 NCBI chr 4:80,331,226...80,333,326
Ensembl chr 4:80,331,227...80,333,326
JBrowse link
G Esr1 estrogen receptor 1 multiple interactions ISO Digitoxin binds to and results in decreased activity of ESR1 protein CTD PMID:25752796 NCBI chr 1:41,192,029...41,594,799
Ensembl chr 1:41,192,824...41,594,796
JBrowse link
G Esr2 estrogen receptor 2 multiple interactions ISO Digitoxin binds to and results in decreased activity of ESR2 protein CTD PMID:25752796 NCBI chr 6:99,163,953...99,214,711
Ensembl chr 6:99,164,357...99,214,251
JBrowse link
G Fancd2 FA complementation group D2 multiple interactions ISO Digitoxin inhibits the reaction [Mitomycin results in increased expression of and affects the ubiquitination of FANCD2 protein] CTD PMID:24124520 NCBI chr 4:145,489,869...145,551,479
Ensembl chr 4:145,489,869...145,551,479
JBrowse link
G Fanci FA complementation group I multiple interactions ISO Digitoxin inhibits the reaction [Mitomycin results in increased expression of and affects the ubiquitination of FANCI protein] CTD PMID:24124520 NCBI chr 1:141,116,565...141,172,997
Ensembl chr 1:141,120,166...141,172,483
JBrowse link
G Il1b interleukin 1 beta multiple interactions ISO 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one inhibits the reaction [Digitoxin inhibits the reaction [IL1B protein results in increased activity of NFKB1 protein]]; 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one inhibits the reaction [Digitoxin inhibits the reaction [IL1B protein results in increased expression of CCL2 protein]]; Digitoxin inhibits the reaction [IL1B protein results in increased activity of MAPK1 protein]; Digitoxin inhibits the reaction [IL1B protein results in increased activity of MAPK3 protein]; Digitoxin inhibits the reaction [IL1B protein results in increased activity of NFKB1 protein]; Digitoxin inhibits the reaction [IL1B protein results in increased expression of CCL2 protein]; Digitoxin inhibits the reaction [IL1B protein results in increased expression of VCAM1 protein] CTD PMID:19446813 NCBI chr 3:121,876,256...121,882,637
Ensembl chr 3:121,876,263...121,882,726
JBrowse link
G Mapk1 mitogen activated protein kinase 1 multiple interactions ISO Digitoxin inhibits the reaction [IL1B protein results in increased activity of MAPK1 protein] CTD PMID:19446813 NCBI chr11:88,203,863...88,273,301
Ensembl chr11:88,211,599...88,273,254
JBrowse link
G Mapk3 mitogen activated protein kinase 3 multiple interactions ISO Digitoxin inhibits the reaction [IL1B protein results in increased activity of MAPK3 protein] CTD PMID:19446813 NCBI chr 1:198,192,773...198,198,975
Ensembl chr 1:198,192,773...198,198,975
JBrowse link
G Nfkb1 nuclear factor kappa B subunit 1 multiple interactions ISO 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one inhibits the reaction [Digitoxin inhibits the reaction [IL1B protein results in increased activity of NFKB1 protein]]; Digitoxin inhibits the reaction [IL1B protein results in increased activity of NFKB1 protein] CTD PMID:19446813 NCBI chr 2:240,773,520...240,890,053
Ensembl chr 2:240,773,456...240,866,689
JBrowse link
G Nfkbia NFKB inhibitor alpha decreases phosphorylation ISO Digitoxin results in decreased phosphorylation of NFKBIA protein CTD PMID:15136726 NCBI chr 6:76,267,227...76,270,457
Ensembl chr 6:76,267,228...76,270,457
JBrowse link
G Nos3 nitric oxide synthase 3 multiple interactions
increases activity
ISO 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one inhibits the reaction [Digitoxin results in increased activity of NOS3 protein]; Calcium deficiency inhibits the reaction [Digitoxin results in increased activity of NOS3 protein] CTD PMID:19446813 NCBI chr 4:7,321,908...7,342,404
Ensembl chr 4:7,320,668...7,342,410
JBrowse link
G Pgr progesterone receptor multiple interactions ISO Digitoxin binds to and results in decreased activity of PGR protein CTD PMID:25752796 NCBI chr 8:7,128,656...7,187,796
Ensembl chr 8:7,128,656...7,187,796
JBrowse link
G Thra thyroid hormone receptor alpha multiple interactions ISO Digitoxin binds to and results in decreased activity of THRA protein CTD PMID:25752796 NCBI chr10:86,657,285...86,684,935
Ensembl chr10:86,657,285...86,684,933
JBrowse link
G Thrb thyroid hormone receptor beta multiple interactions ISO Digitoxin binds to and results in decreased activity of THRB protein CTD PMID:25752796 NCBI chr15:8,890,578...9,239,815
Ensembl chr15:8,890,578...9,086,282
JBrowse link
G Tp53 tumor protein p53 decreases expression ISO Digitoxin analog results in decreased expression of TP53 protein; Digitoxin results in decreased expression of TP53 protein CTD PMID:22037315 NCBI chr10:56,186,299...56,198,449
Ensembl chr10:56,187,020...56,198,449
JBrowse link
G Vcam1 vascular cell adhesion molecule 1 multiple interactions ISO Digitoxin inhibits the reaction [IL1B protein results in increased expression of VCAM1 protein] CTD PMID:19446813 NCBI chr 2:219,071,193...219,090,931
Ensembl chr 2:219,071,193...219,097,619
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19853
    role 19804
      application 19477
        pharmaceutical 19350
          drug 19350
            protective agent 16374
              cardioprotective agent 1213
                cardiac glycoside 231
                  cardenolide glycoside 231
                    digitoxin 29
                      3'''-O-acetyldigitoxin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    p-block element atom 19744
                      carbon group element atom 19650
                        carbon atom 19639
                          organic molecular entity 19639
                            organic group 18550
                              organic divalent group 18541
                                organodiyl group 18541
                                  carbonyl group 18447
                                    carbonyl compound 18447
                                      carboxylic ester 14370
                                        lactone 5988
                                          gamma-lactone 1220
                                            butenolide 362
                                              cardenolides 235
                                                cardenolide glycoside 231
                                                  digitoxin 29
                                                    3'''-O-acetyldigitoxin 0
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