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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 chr16:76,283,186...76,315,075
Ensembl chr16:76,283,103...76,354,440
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...12,424,882
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
multiple interactions
affects binding
ISO
EXP
entacapone results in decreased activity of 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]
entacapone binds to COMT protein
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
Ensembl chr 1:158,120,200...158,252,012
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 chr13:62,163,936...62,172,193
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...75,508,113
Ensembl chr 1:74,911,100...75,508,134
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
Ensembl chr 9:88,713,184...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
Ensembl chr 9:88,713,184...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
Ensembl chr 9:88,713,184...88,808,465
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19863
    chemical entity 19861
      group 19819
        pseudohalo group 4579
          cyano group 4579
            nitrile 4579
              entacapone 26
                3-O-ethylentacapone 0
                3-O-methylentacapone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19863
    subatomic particle 19861
      composite particle 19861
        hadron 19861
          baryon 19861
            nucleon 19861
              atomic nucleus 19861
                atom 19861
                  main group element atom 19807
                    p-block element atom 19807
                      carbon group element atom 19748
                        carbon atom 19744
                          organic molecular entity 19744
                            heteroorganic entity 19498
                              organochalcogen compound 19259
                                organooxygen compound 19175
                                  carbon oxoacid 18642
                                    carboxylic acid 18639
                                      carboacyl group 17708
                                        univalent carboacyl group 17708
                                          carbamoyl group 17559
                                            carboxamide 17559
                                              monocarboxylic acid amide 15689
                                                entacapone 26
                                                  3-O-ethylentacapone 0
                                                  3-O-methylentacapone 0
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