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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 chr14:80,313,202...80,358,115
Ensembl chr14:80,314,431...80,355,420
JBrowse link
G Acsl1 acyl-CoA synthetase long-chain family member 1 affects binding EXP entacapone binds to ACSL1 protein CTD PMID:19783845 NCBI chr16:48,937,456...49,003,898
Ensembl chr16:48,937,456...49,003,246
JBrowse link
G Adprhl1 ADP-ribosylhydrolase like 1 affects binding EXP entacapone binds to ADPRHL1 protein CTD PMID:19783845 NCBI chr16:81,616,098...81,648,133
Ensembl chr16:81,616,604...81,632,030
JBrowse link
G Auh AU RNA binding methylglutaconyl-CoA hydratase affects binding EXP entacapone binds to AUH protein CTD PMID:19783845 NCBI chr17:12,310,178...12,405,224
Ensembl chr17:12,310,214...12,405,205
JBrowse link
G Cltc clathrin heavy chain affects binding EXP entacapone binds to CLTC protein CTD PMID:19783845 NCBI chr10:74,014,560...74,070,578
Ensembl chr10:74,014,562...74,070,266
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, PMID:29688484 NCBI chr11:86,715,981...86,735,630
Ensembl chr11:86,715,981...86,735,622
JBrowse link
G Echs1 enoyl-CoA hydratase, short chain 1 affects binding EXP entacapone binds to ECHS1 protein CTD PMID:19783845 NCBI chr 1:212,570,213...212,579,040
Ensembl chr 1:212,570,195...212,579,057
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 1:275,843,823...275,906,880
Ensembl chr 1:275,846,819...275,906,686
JBrowse link
G Hbb hemoglobin subunit beta affects binding EXP entacapone binds to HBB protein CTD PMID:19783845 NCBI chr 1:168,971,269...168,972,680
Ensembl chr 1:168,971,274...168,972,725
JBrowse link
G Hsd17b13 hydroxysteroid (17-beta) dehydrogenase 13 affects binding EXP entacapone binds to HSD17B13 protein CTD PMID:19783845 NCBI chr14:7,113,544...7,128,218
Ensembl chr14:7,113,544...7,128,218
JBrowse link
G Hsd17b4 hydroxysteroid (17-beta) dehydrogenase 4 affects binding EXP entacapone binds to HSD17B4 protein CTD PMID:19783845 NCBI chr18:44,810,462...44,897,677
Ensembl chr18:44,810,388...44,897,640
JBrowse link
G Pc pyruvate carboxylase affects binding EXP entacapone binds to PC protein CTD PMID:19783845 NCBI chr 1:219,759,157...219,859,854
Ensembl chr 1:219,759,183...219,859,848
JBrowse link
G Snca synuclein alpha multiple interactions ISO entacapone inhibits the reaction [SNCA protein binds to SNCA protein] CTD PMID:20150427 NCBI chr 4:90,782,412...90,883,236
Ensembl chr 4:90,782,374...90,882,285
JBrowse link
G Sult2a1 sulfotransferase family 2A member 1 affects binding EXP entacapone binds to SULT2A1 protein CTD PMID:19783845 NCBI chr 1:76,558,721...76,614,315
Ensembl chr 1:76,252,329...76,780,230
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 9:95,295,701...95,302,822
Ensembl chr 9:95,161,157...95,302,822
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 9:95,285,592...95,302,822
Ensembl chr 9:95,161,157...95,302,822
JBrowse link
G Ugt1a8 UDP glucuronosyltransferase family 1 member A8 increases glucuronidation ISO UGT1A8 protein results in increased glucuronidation of entacapone CTD PMID:15802387 NCBI chr 9:95,221,474...95,302,822
Ensembl chr 9:95,161,157...95,302,822
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 9:95,161,157...95,302,822
Ensembl chr 9:95,161,157...95,302,822
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    chemical entity 19787
      group 19698
        pseudohalo group 2882
          cyano group 2882
            nitrile 2882
              entacapone 18
                3-O-ethylentacapone 0
                3-O-methylentacapone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        carboacyl group 17348
                                          univalent carboacyl group 17348
                                            carbamoyl group 17134
                                              carboxamide 17134
                                                monocarboxylic acid amide 14553
                                                  entacapone 18
                                                    3-O-ethylentacapone 0
                                                    3-O-methylentacapone 0
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