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ONTOLOGY REPORT - ANNOTATIONS


Term:calcipotriol
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Accession:CHEBI:50749 term browser browse the term
Definition:A seco-cholestane that is 26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene carrying additional hydroxy substituents at positions 1, 3 and 24. It is used (as its hydrate) in combination with betamethasone dipropionate, a corticosteroid, for the topical treatment of plaque psoriasis in adult patients.
Synonyms:exact_synonym: (1S,3R,5Z,7E,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol
 related_synonym: Calcipotriene;   Daivonex;   Dovonex;   Formula=C27H40O3;   InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1;   InChIKey=LWQQLNNNIPYSNX-UROSTWAQSA-N;   SMILES=[C@@H]1(C[C@@H](C/C(/C1=C)=C/C=C\\2/[C@]3([C@](CCC2)([C@](CC3)([C@@H](/C=C/[C@@H](O)C4CC4)C)[H])C)[H])O)O
 alt_id: CHEBI:31335;   CHEBI:43947
 xref: CAS:112965-21-6 "ChemIDplus";   CAS:112965-21-6 "KEGG DRUG";   DrugBank:DB02300;   Drug_Central:465 "DrugCentral";   HMDB:HMDB0015567;   KEGG:D01125;   LIPID_MAPS_instance:LMST03020106 "LIPID MAPS"
 xref_mesh: MESH:C055085
 xref: PDBeChem:MC9;   PMID:23441902 "Europe PMC";   PMID:23621170 "Europe PMC";   PMID:24090798 "Europe PMC";   PMID:24286371 "Europe PMC";   PMID:24419155 "Europe PMC";   PMID:24533503 "Europe PMC";   PMID:24592364 "Europe PMC";   PMID:24593129 "Europe PMC";   PMID:24670691 "Europe PMC";   PMID:24788893 "Europe PMC";   PMID:24907534 "Europe PMC";   PMID:25027750 "Europe PMC";   PMID:25355140 "Europe PMC";   PMID:25484388 "Europe PMC";   PMID:25561873 "Europe PMC";   PMID:25574190 "Europe PMC";   PMID:25592908 "Europe PMC";   PMID:25904071 "Europe PMC";   PMID:26081515 "Europe PMC";   PMID:26224733 "Europe PMC";   PMID:7994616 "Europe PMC";   Patent:US4866048;   Patent:WO8700834;   Reaxys:5309193 "Reaxys"


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calcipotriol term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Abcc3 ATP binding cassette subfamily C member 3 JBrowse link 10 82,047,308 82,116,928 RGD:6480464
G Becn1 beclin 1 JBrowse link 10 89,209,944 89,225,297 RGD:6480464
G Camp cathelicidin antimicrobial peptide JBrowse link 8 117,930,557 117,932,371 RGD:6480464
G Crlf2 cytokine receptor-like factor 2 JBrowse link 14 1,456,843 1,461,543 RGD:6480464
G Cyp24a1 cytochrome P450, family 24, subfamily a, polypeptide 1 JBrowse link 3 168,097,484 168,111,920 RGD:6480464
G Cyp7a1 cytochrome P450 family 7 subfamily A member 1 JBrowse link 5 19,358,734 19,368,431 RGD:6480464
G Flg filaggrin JBrowse link 2 193,565,401 193,574,297 RGD:6480464
G Il13 interleukin 13 JBrowse link 10 38,982,909 38,985,466 RGD:6480464
G Il4 interleukin 4 JBrowse link 10 38,963,979 38,969,531 RGD:6480464
G Il5 interleukin 5 JBrowse link 10 39,066,716 39,069,587 RGD:6480464
G Ivl involucrin JBrowse link 2 192,761,171 192,773,346 RGD:6480464
G Krt10 keratin 10 JBrowse link 10 87,296,445 87,301,307 RGD:6480464
G Krt16 keratin 16 JBrowse link 10 88,149,210 88,152,167 RGD:6480464
G Krt17 keratin 17 JBrowse link 10 88,158,993 88,163,712 RGD:6480464
G Mapk8 mitogen-activated protein kinase 8 JBrowse link 16 9,620,854 9,709,342 RGD:6480464
G Nr0b2 nuclear receptor subfamily 0, group B, member 2 JBrowse link 5 151,776,004 151,779,319 RGD:6480464
G Tnfsf4 TNF superfamily member 4 JBrowse link 13 79,269,973 79,293,775 RGD:6480464
G Tslp thymic stromal lymphopoietin JBrowse link 18 25,613,601 25,618,066 RGD:6480464
G Vdr vitamin D receptor JBrowse link 7 139,344,452 139,394,138 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19657
    role 19601
      application 19225
        pharmaceutical 19089
          drug 19089
            drug allergen 9697
              calcipotriol 19
                calcipotriol hydrate + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19657
    subatomic particle 19653
      composite particle 19653
        hadron 19653
          baryon 19653
            nucleon 19653
              atomic nucleus 19653
                atom 19653
                  main group element atom 19534
                    p-block element atom 19534
                      carbon group element atom 19417
                        carbon atom 19409
                          organic molecular entity 19409
                            organic molecule 19332
                              organic cyclic compound 19083
                                organic polycyclic compound 16024
                                  steroid 12765
                                    seco-steroid 2639
                                      seco-cholestane 2623
                                        calcipotriol 19
                                          calcipotriol hydrate + 0
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