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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:entacapone
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Accession:CHEBI:4798 term browser browse the term
Definition:A monocarboxylic acid amide that is N,N-diethylprop-2-enamide in which the hydrogen at position 2 is substituted by a cyano group and the hydrogen at the 3E position is substituted by a 3,4-dihydroxy-5-nitrophenyl group.
Synonyms:exact_synonym: (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
 related_synonym: (E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide;   Comtan;   Comtess;   Formula=C14H15N3O5;   InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+;   InChIKey=JRURYQJSLYLRLN-BJMVGYQFSA-N;   N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide;   SMILES=CCN(CC)C(=O)C(\\C#N)=C\\c1cc(O)c(O)c(c1)[N+]([O-])=O;   entacapona;   entacaponum
 xref: CAS:130929-57-6;   DrugBank:DB00494;   Drug_Central:1018;   KEGG:C07943;   KEGG:D00781
 xref_mesh: MESH:C071192
 xref: PMID:11244274;   PMID:11586115;   PMID:11732751;   PMID:12952501;   PMID:15698633;   PMID:15875340;   PMID:15878587;   PMID:15992091;   PMID:19578428;   PMID:19879254;   Patent:EP426468;   Patent:US5135950;   Patent:US6599530;   Patent:WO2005063693;   Reaxys:8158723;   Wikipedia:Entacapone


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entacapone term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Acox3 acyl-CoA oxidase 3, pristanoyl affects binding EXP entacapone binds to ACOX3 protein CTD PMID:19783845 NCBI chr14:75,133,986...75,176,767
Ensembl chr14:75,094,676...75,176,205
JBrowse link
G Acsl1 acyl-CoA synthetase long-chain family member 1 affects binding EXP entacapone binds to ACSL1 protein CTD PMID:19783845 NCBI chr16:45,755,246...45,821,541
Ensembl chr16:45,755,254...45,821,541
JBrowse link
G Adprhl1 ADP-ribosylhydrolase like 1 affects binding EXP entacapone binds to ADPRHL1 protein CTD PMID:19783845 NCBI chr16:76,283,199...76,298,614 JBrowse link
G Auh AU RNA binding methylglutaconyl-CoA hydratase affects binding EXP entacapone binds to AUH protein CTD PMID:19783845 NCBI chr17:12,329,522...12,424,896
Ensembl chr17:12,329,524...12,424,896
JBrowse link
G Cltc clathrin heavy chain affects binding EXP entacapone binds to CLTC protein CTD PMID:19783845 NCBI chr10:71,517,661...71,574,591
Ensembl chr10:71,517,663...71,573,737
JBrowse link
G Comt catechol-O-methyltransferase decreases activity
affects binding
multiple interactions
ISO
EXP
entacapone results in decreased activity of COMT protein
entacapone binds to COMT protein
[entacapone results in decreased activity of COMT protein] which results in increased abundance of Dopamine; entacapone inhibits the reaction [COMT protein results in increased methylation of Levodopa]
CTD PMID:12898346 PMID:15566291 PMID:19783845 PMID:20334432 PMID:23206800 More... NCBI chr11:82,568,052...82,587,642
Ensembl chr11:82,568,025...82,587,642
JBrowse link
G Echs1 enoyl-CoA hydratase, short chain 1 affects binding EXP entacapone binds to ECHS1 protein CTD PMID:19783845 NCBI chr 1:194,895,036...194,903,863
Ensembl chr 1:194,895,036...194,903,884
JBrowse link
G Ereg epiregulin increases expression ISO entacapone results in increased expression of EREG mRNA CTD PMID:32816093 NCBI chr14:17,027,287...17,041,062
Ensembl chr14:17,027,287...17,041,062
JBrowse link
G Gpam glycerol-3-phosphate acyltransferase, mitochondrial decreases expression ISO entacapone results in decreased expression of GPAM protein CTD PMID:29688484 NCBI chr 1:254,106,323...254,170,755
Ensembl chr 1:254,106,331...254,142,639
JBrowse link
G Hbb hemoglobin subunit beta affects binding EXP entacapone binds to HBB protein CTD PMID:19783845 NCBI chr 1:158,250,421...158,251,832 JBrowse link
G Hsd17b13 hydroxysteroid (17-beta) dehydrogenase 13 affects binding EXP entacapone binds to HSD17B13 protein CTD PMID:19783845 NCBI chr14:5,751,697...5,766,809
Ensembl chr14:5,752,132...5,768,166
JBrowse link
G Hsd17b4 hydroxysteroid (17-beta) dehydrogenase 4 affects binding EXP entacapone binds to HSD17B4 protein CTD PMID:19783845 NCBI chr18:43,328,903...43,417,950
Ensembl chr18:43,328,824...43,417,952
JBrowse link
G Il1a interleukin 1 alpha increases expression ISO entacapone results in increased expression of IL1A mRNA CTD PMID:32816093 NCBI chr 3:116,526,601...116,537,055
Ensembl chr 3:116,526,604...116,536,822
JBrowse link
G Il1b interleukin 1 beta increases expression ISO entacapone results in increased expression of IL1B mRNA CTD PMID:32816093 NCBI chr 3:116,577,005...116,583,386
Ensembl chr 3:116,577,010...116,583,415
JBrowse link
G Met MET proto-oncogene, receptor tyrosine kinase increases expression ISO entacapone results in increased expression of MET mRNA CTD PMID:32816093 NCBI chr 4:45,790,456...45,898,139
Ensembl chr 4:45,790,791...45,897,876
JBrowse link
G Pc pyruvate carboxylase affects binding EXP entacapone binds to PC protein CTD PMID:19783845 NCBI chr 1:201,799,374...201,898,412
Ensembl chr 1:201,804,267...201,898,380
JBrowse link
G Pid1 phosphotyrosine interaction domain containing 1 decreases expression ISO entacapone results in decreased expression of PID1 mRNA CTD PMID:32816093 NCBI chr 9:85,284,335...85,503,035
Ensembl chr 9:85,284,335...85,503,044
JBrowse link
G Ptgs2 prostaglandin-endoperoxide synthase 2 increases expression ISO entacapone results in increased expression of PTGS2 mRNA CTD PMID:32816093 NCBI chr13:62,164,080...62,169,770
Ensembl chr13:62,163,932...62,172,188
JBrowse link
G Slc7a11 solute carrier family 7 member 11 decreases expression ISO entacapone results in decreased expression of SLC7A11 mRNA CTD PMID:32816093 NCBI chr 2:134,382,002...134,517,622
Ensembl chr 2:133,963,107...134,517,536
JBrowse link
G Slpi secretory leukocyte peptidase inhibitor decreases expression ISO entacapone results in decreased expression of SLPI mRNA CTD PMID:32816093 NCBI chr 3:153,082,208...153,084,457
Ensembl chr 3:153,082,369...153,084,453
JBrowse link
G Snca synuclein alpha multiple interactions ISO entacapone inhibits the reaction [SNCA protein binds to SNCA protein] CTD PMID:20150427 NCBI chr 4:89,696,420...89,797,240
Ensembl chr 4:89,696,420...89,796,262
JBrowse link
G Sult2a1 sulfotransferase family 2A member 1 affects binding EXP entacapone binds to SULT2A1 protein CTD PMID:19783845 NCBI chr 1:75,451,178...75,508,142 JBrowse link
G Tnfaip6 TNF alpha induced protein 6 decreases expression ISO entacapone results in decreased expression of TNFAIP6 mRNA CTD PMID:32816093 NCBI chr 3:36,502,250...36,521,652
Ensembl chr 3:36,502,188...36,521,649
JBrowse link
G Ugt1a1 UDP glucuronosyltransferase family 1 member A1 increases glucuronidation ISO UGT1A1 protein results in increased glucuronidation of entacapone CTD PMID:15802387 NCBI chr 9:88,801,344...88,808,465 JBrowse link
G Ugt1a2 UDP glucuronosyltransferase 1 family, polypeptide A2 increases glucuronidation ISO UGT1A3 protein results in increased glucuronidation of entacapone CTD PMID:15802387 NCBI chr 9:88,791,216...88,808,465 JBrowse link
G Ugt1a9 UDP glucuronosyltransferase family 1 member A9 increases glucuronidation
decreases glucuronidation
ISO UGT1A9 protein results in increased glucuronidation of entacapone
UGT1A9 protein mutant form results in decreased glucuronidation of entacapone
CTD PMID:15044611 PMID:15802387 PMID:16344532 NCBI chr 9:88,696,981...88,808,465 JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    chemical entity 19812
      group 19733
        pseudohalo group 3489
          cyano group 3489
            nitrile 3489
              entacapone 26
                3-O-ethylentacapone 0
                3-O-methylentacapone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic group 18728
                              organic divalent group 18719
                                organodiyl group 18719
                                  carbonyl group 18667
                                    carbonyl compound 18667
                                      carboxylic acid 18364
                                        carboacyl group 17482
                                          univalent carboacyl group 17482
                                            carbamoyl group 17298
                                              carboxamide 17298
                                                monocarboxylic acid amide 15014
                                                  entacapone 26
                                                    3-O-ethylentacapone 0
                                                    3-O-methylentacapone 0
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