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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:acenocoumarol
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Accession:CHEBI:53766 term browser browse the term
Definition:A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group.
Synonyms:related_synonym: 3-(alpha-(4'-Nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin;   3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin;   3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin;   3-(alpha-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin;   3-(alpha-p-Nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin;   4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one;   4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one;   Acenocoumarin;   Acenocumarolo;   Acenokumarin;   Formula=C19H15NO6;   InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3;   InChIKey=VABCILAOYCMVPS-UHFFFAOYSA-N;   Nicoumalone;   Nicumalon;   Nitrophenylacetylethyl-4-hydroxycoumarine;   Nitrovarfarian;   Nitrowarfarin;   SMILES=CC(=O)CC(c1ccc(cc1)[N+]([O-])=O)c1c(O)c2ccccc2oc1=O;   acenocoumarolum;   acenocumarol
 alt_id: CHEBI:494206
 xref: Beilstein:1269370;   CAS:152-72-7;   DrugBank:DB01418;   KEGG:D07064;   LINCS:LSM-5112
 xref_mesh: MESH:D000074
 xref: PMID:17275317;   Patent:US2648682;   Reaxys:1269370


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acenocoumarol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb1a ATP binding cassette subfamily B member 1A affects response to substance ISO ABCB1 gene polymorphism affects the susceptibility to Acenocoumarol CTD PMID:18021343 NCBI chr 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709
JBrowse link
G Apoe apolipoprotein E affects response to substance ISO APOE gene polymorphism affects the susceptibility to Acenocoumarol CTD PMID:15861030 NCBI chr 1:79,353,924...79,357,852
Ensembl chr 1:79,353,916...79,357,932
JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 affects metabolic processing ISO CYP1A1 protein affects the metabolism of Acenocoumarol CTD PMID:11918509 NCBI chr 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125
JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 affects metabolic processing ISO CYP1A2 protein affects the metabolism of Acenocoumarol CTD PMID:11918509 NCBI chr 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312
JBrowse link
G Cyp2c24 cytochrome P450, family 2, subfamily c, polypeptide 24 affects response to substance ISO CYP2C18 gene polymorphism affects the susceptibility to Acenocoumarol CTD PMID:19578179 NCBI chr 1:236,873,967...236,936,238
Ensembl chr 1:236,873,967...236,936,238
JBrowse link
G Cyp2c6v1 cytochrome P450, family 2, subfamily C, polypeptide 6, variant 1 affects metabolic processing ISO CYP2C19 protein affects the metabolism of Acenocoumarol CTD PMID:11918509 NCBI chr 1:237,938,521...237,976,238
Ensembl chr 1:237,693,094...238,057,596
JBrowse link
G F10 coagulation factor X decreases activity EXP Acenocoumarol results in decreased activity of F10 protein CTD PMID:3490277 NCBI chr16:76,468,834...76,488,141
Ensembl chr16:76,468,838...76,488,141
JBrowse link
G F2 coagulation factor II decreases activity EXP Acenocoumarol results in decreased activity of F2 protein CTD PMID:3490277 NCBI chr 3:77,596,196...77,609,486
Ensembl chr 3:77,596,198...77,609,486
JBrowse link
G F5 coagulation factor V decreases activity EXP Acenocoumarol results in decreased activity of F5 protein CTD PMID:3490277 NCBI chr13:76,513,463...76,583,106
Ensembl chr13:76,513,255...76,582,317
JBrowse link
G F7 coagulation factor VII decreases activity EXP Acenocoumarol results in decreased activity of F7 protein CTD PMID:3490277 NCBI chr16:76,489,779...76,500,636
Ensembl chr16:76,489,717...76,500,610
JBrowse link
G F9 coagulation factor IX decreases activity EXP Acenocoumarol results in decreased activity of F9 protein CTD PMID:3490277 NCBI chr  X:138,352,334...138,396,835
Ensembl chr  X:138,352,298...138,396,835
JBrowse link
G Ggcx gamma-glutamyl carboxylase increases activity EXP Acenocoumarol results in increased activity of GGCX protein CTD PMID:3490277 NCBI chr 4:104,469,737...104,485,631
Ensembl chr 4:104,469,765...104,487,063
JBrowse link
G Vkorc1 vitamin K epoxide reductase complex, subunit 1 decreases response to substance
decreases activity
multiple interactions
increases response to substance
affects response to substance
ISO VKORC1 promoter polymorphism results in decreased susceptibility to Acenocoumarol; VKORC1 protein polymorphism results in decreased susceptibility to Acenocoumarol
Acenocoumarol results in decreased activity of VKORC1 protein
Acenocoumarol inhibits the reaction [VKORC1 protein results in increased reduction of Vitamin K 1]
VKORC1 protein results in increased susceptibility to Acenocoumarol
VKORC1 gene polymorphism affects the susceptibility to Acenocoumarol; VKORC1 gene SNP affects the susceptibility to Acenocoumarol; VKORC1 intron SNP affects the susceptibility to Acenocoumarol; VKORC1 polymorphism affects the susceptibility to Acenocoumarol; VKORC1 protein polymorphism affects the susceptibility to Acenocoumarol
CTD PMID:16201835 PMID:16611310 PMID:16869821 PMID:17036862 PMID:18698879 More... NCBI chr 1:182,502,491...182,505,012
Ensembl chr 1:182,500,844...182,505,008
JBrowse link
G Vkorc1l1 vitamin K epoxide reductase complex, subunit 1-like 1 multiple interactions
decreases activity
ISO Acenocoumarol inhibits the reaction [VKORC1L1 protein results in increased reduction of Vitamin K 1]
Acenocoumarol results in decreased activity of VKORC1L1 protein
CTD PMID:29581108 NCBI chr12:26,717,959...26,768,193 JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19821
    chemical entity 19821
      group 19741
        inorganic group 19271
          nitro group 10722
            nitro compound 10722
              C-nitro compound 10442
                acenocoumarol 14
                  (R)-acenocoumarol 0
                  (S)-acenocoumarol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic molecule 19569
                              organic cyclic compound 19360
                                organic heterocyclic compound 18591
                                  oxacycle 17587
                                    benzopyran 10402
                                      1-benzopyran 10129
                                        chromenes 948
                                          chromenone 877
                                            coumarins 595
                                              hydroxycoumarin 326
                                                acenocoumarol 14
                                                  (R)-acenocoumarol 0
                                                  (S)-acenocoumarol 0
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