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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:docebenone
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Accession:CHEBI:2340 term browser browse the term
Definition:A member of the class of benzoquinones that is p-benzoquinone in which the hydrogens are substituted by three methyl groups and a 12-hydroxydodeca-5,10-diyn-1-yl group.
Synonyms:exact_synonym: 2-(12-hydroxydodeca-5,10-diyn-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
 related_synonym: 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone;   2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p-benzoquinone;   2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethyl-1,4-benzoquinone;   6-(12-hydroxydodeca-5,10-diyn-1-yl)-2,3,5-trimethyl-1,4-benzoquinone;   AA-861;   AA861;   Formula=C21H26O3;   InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22H,5,7-10,12,14-15H2,1-3H3;   InChIKey=WDEABJKSGGRCQA-UHFFFAOYSA-N;   SMILES=CC1=C(C)C(=O)C(CCCCC#CCCCC#CCO)=C(C)C1=O;   docebenona;   docebenonum
 xref: CAS:80809-81-0;   KEGG:C01349;   KEGG:D03882
 xref_mesh: MESH:C036837
 xref: PMID:16903934;   PMID:17645780;   PMID:2447953;   Reaxys:4262656



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docebenone term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Alox12 arachidonate 12-lipoxygenase, 12S type decreases activity ISO 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone results in decreased activity of ALOX12 protein CTD PMID:23238474 NCBI chr10:54,958,263...54,970,542
Ensembl chr10:54,958,271...54,970,542
JBrowse link
G Alox5 arachidonate 5-lipoxygenase decreases activity ISO
EXP
2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone results in decreased activity of ALOX5 protein CTD PMID:2724698 PMID:7812673 PMID:25432964 NCBI chr 4:149,531,329...149,578,696
Ensembl chr 4:149,531,515...149,578,743
JBrowse link
G Casp3 caspase 3 multiple interactions
increases activity
ISO 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [PTGS1 gene mutant form promotes the reaction [Carbon Tetrachloride results in increased cleavage of CASP3 protein]]
2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone results in increased activity of CASP3 protein
CTD PMID:22308955 PMID:25432964 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648
JBrowse link
G Casp8 caspase 8 multiple interactions ISO 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [PTGS1 gene mutant form promotes the reaction [Carbon Tetrachloride results in increased cleavage of CASP8 protein]] CTD PMID:25432964 NCBI chr 9:60,263,863...60,312,542
Ensembl chr 9:60,264,075...60,312,542
JBrowse link
G Hsd11b2 hydroxysteroid 11-beta dehydrogenase 2 increases activity
multiple interactions
ISO 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone results in increased activity of HSD11B2 protein
[2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone co-treated with Leukotriene B4] results in decreased expression of HSD11B2 protein; Leukotriene B4 inhibits the reaction [2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone results in increased activity of HSD11B2 protein]
CTD PMID:18032417 NCBI chr19:33,397,656...33,402,899
Ensembl chr19:33,397,656...33,402,899
JBrowse link
G Il6 interleukin 6 multiple interactions
decreases expression
ISO [2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone co-treated with 4-(5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide] results in decreased expression of IL6 mRNA
2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone results in decreased expression of IL6 mRNA
CTD PMID:17766677 NCBI chr 4:5,214,602...5,219,178
Ensembl chr 4:5,213,394...5,219,178
JBrowse link
G Mpo myeloperoxidase multiple interactions ISO 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [Tetradecanoylphorbol Acetate results in increased activity of MPO protein] CTD PMID:7812673 NCBI chr10:72,594,458...72,608,862
Ensembl chr10:72,594,661...72,604,819
JBrowse link
G Osmr oncostatin M receptor multiple interactions ISO 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [PTGS1 gene mutant form inhibits the reaction [Carbon Tetrachloride results in increased expression of OSMR mRNA]] CTD PMID:25432964 NCBI chr 2:55,907,119...55,961,373
Ensembl chr 2:55,907,132...55,961,262
JBrowse link
G Ptgs1 prostaglandin-endoperoxide synthase 1 multiple interactions ISO 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [PTGS1 gene mutant form inhibits the reaction [Carbon Tetrachloride results in increased expression of OSMR mRNA]]; 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [PTGS1 gene mutant form inhibits the reaction [Carbon Tetrachloride results in increased phosphorylation of STAT3 protein]]; 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [PTGS1 gene mutant form promotes the reaction [Carbon Tetrachloride results in increased cleavage of CASP3 protein]]; 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [PTGS1 gene mutant form promotes the reaction [Carbon Tetrachloride results in increased cleavage of CASP8 protein]]; 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [PTGS1 gene mutant form promotes the reaction [Carbon Tetrachloride results in increased expression of TNF protein]] CTD PMID:25432964 NCBI chr 3:19,584,015...19,605,589
Ensembl chr 3:19,584,015...19,605,586
JBrowse link
G Rela RELA proto-oncogene, NF-kB subunit multiple interactions ISO 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [acenaphthenequinone results in increased expression of RELA protein] CTD PMID:17925309 NCBI chr 1:202,925,001...202,935,484
Ensembl chr 1:202,924,945...202,935,484
JBrowse link
G Sod1 superoxide dismutase 1 multiple interactions EXP 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [Arachidonic Acid results in decreased activity of SOD1 protein] CTD PMID:16982041 NCBI chr11:29,456,673...29,462,249
Ensembl chr11:29,456,558...29,462,249
JBrowse link
G Sod2 superoxide dismutase 2 multiple interactions EXP 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [Arachidonic Acid results in increased activity of SOD2 protein] CTD PMID:16982041 NCBI chr 1:47,638,318...47,645,163
Ensembl chr 1:47,636,528...47,645,189
JBrowse link
G Stat3 signal transducer and activator of transcription 3 multiple interactions ISO 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [PTGS1 gene mutant form inhibits the reaction [Carbon Tetrachloride results in increased phosphorylation of STAT3 protein]] CTD PMID:25432964 NCBI chr10:85,811,206...85,863,057
Ensembl chr10:85,811,218...85,863,057
JBrowse link
G Tnf tumor necrosis factor multiple interactions ISO 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [endotoxin, Escherichia coli results in increased secretion of TNF protein]; 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [lipopolysaccharide, Escherichia coli O111 B4 results in increased secretion of TNF protein]; 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone inhibits the reaction [PTGS1 gene mutant form promotes the reaction [Carbon Tetrachloride results in increased expression of TNF protein]]; 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone promotes the reaction [endotoxin, Escherichia coli results in increased expression of TNF mRNA]; 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone promotes the reaction [lipopolysaccharide, Escherichia coli O111 B4 results in increased expression of TNF mRNA]; 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone results in increased stability of and affects the expression of TNF mRNA CTD PMID:15060681 PMID:25432964 NCBI chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629
JBrowse link
G Trpc6 transient receptor potential cation channel, subfamily C, member 6 decreases activity ISO 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone results in decreased activity of TRPC6 protein CTD PMID:22308955 NCBI chr 8:5,759,387...5,864,000
Ensembl chr 8:5,758,935...5,828,092
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 20057
    role 20023
      biological role 20010
        inhibitor 18842
          ferroptosis inhibitor 7528
            docebenone 15
Path 2
Term Annotations click to browse term
  CHEBI ontology 20057
    subatomic particle 20056
      composite particle 20068
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19971
                    p-block element atom 19971
                      carbon group element atom 19889
                        carbon atom 19894
                          organic molecular entity 19882
                            organic group 18982
                              organic divalent group 18968
                                organodiyl group 18968
                                  carbonyl group 18923
                                    carbonyl compound 18923
                                      ketone 17102
                                        cyclic ketone 15673
                                          quinone 8521
                                            benzoquinones 750
                                              1,4-benzoquinones 746
                                                docebenone 15
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