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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:scoparone
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Accession:CHEBI:9055 term browser browse the term
Definition:A member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities.
Synonyms:exact_synonym: 6,7-dimethoxy-2H-chromen-2-one
 related_synonym: 6,7-Dimethoxycoumarin;   6,7-dimethoxy-2H-1-benzopyran-2-one;   6,7-dimethoxybenzopyran-2-one;   6,7-dimethylesculetin;   Formula=C11H10O4;   InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3;   InChIKey=GUAFOGOEJLSQBT-UHFFFAOYSA-N;   O,O-dimethylesculetin;   O-methylisoscopoletin;   O-methylscopoletin;   SMILES=COC1=C(OC)C=C2C=CC(=O)OC2=C1;   aesculetin dimethyl ether;   escoparone;   esculetin 6,7-dimethyl ether;   esculetin dimethyl ether;   scoparon;   scopoletin methyl ether;   scopoletin monomethyl ether
 xref: CAS:120-08-1;   Chemspider:8110;   FooDB:FDB002774;   HMDB:HMDB0030818;   KEGG:C09311;   KNApSAcK:C00002498
 xref_mesh: MESH:C018145
 xref: MetaCyc:CPD-14452;   PMID:157008;   PMID:1830846;   PMID:22068685;   PMID:23086487;   PMID:23930012;   PMID:27188970;   PMID:27306123;   PMID:27869223;   PMID:27929444;   PMID:27983636;   PMID:28623783;   PMID:28950382;   PMID:28970015;   PMID:29164835;   PMID:29793313;   PMID:29901189;   PMID:29921497;   PMID:30119184;   PMID:30360359;   PMID:30736072;   PMID:30861122;   PMID:30934718;   PMID:31421545;   PMID:32000066;   PMID:32521698;   PMID:32877694;   PMID:32961278;   PMID:33090488;   PMID:33560596;   PMID:33894369;   PMID:34410946;   PMID:544448;   PMID:700833;   Reaxys:169572;   Wikipedia:Scoparone



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scoparone term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ccl2 C-C motif chemokine ligand 2 multiple interactions ISO scoparone inhibits the reaction [Tetradecanoylphorbol Acetate results in increased expression of CCL2 mRNA]; scoparone inhibits the reaction [Tetradecanoylphorbol Acetate results in increased secretion of CCL2 protein] CTD PMID:16376386 NCBI chr10:67,005,424...67,007,222
Ensembl chr10:67,005,424...67,007,226
JBrowse link
G Dct dopachrome tautomerase increases expression ISO scoparone results in increased expression of DCT mRNA CTD PMID:17049123 NCBI chr15:95,062,006...95,100,863
Ensembl chr15:95,062,003...95,100,836
JBrowse link
G Ifnb1 interferon beta 1 multiple interactions ISO scoparone inhibits the reaction [[lipopolysaccharide, Escherichia coli O111 B4 co-treated with Galactose] results in increased expression of IFNB1 protein] CTD PMID:23535186 NCBI chr 5:103,020,969...103,021,523
Ensembl chr 5:103,020,969...103,021,523
JBrowse link
G Il6 interleukin 6 multiple interactions ISO scoparone inhibits the reaction [[Galactose co-treated with lipopolysaccharide, Escherichia coli O111 B4] results in increased expression of IL6 protein] CTD PMID:23535186 NCBI chr 4:5,214,602...5,219,178
Ensembl chr 4:5,213,394...5,219,178
JBrowse link
G Irf3 interferon regulatory factor 3 multiple interactions ISO scoparone inhibits the reaction [[lipopolysaccharide, Escherichia coli O111 B4 co-treated with Galactose] results in increased phosphorylation of IRF3 protein] CTD PMID:23535186 NCBI chr 1:95,479,966...95,484,926
Ensembl chr 1:95,479,821...95,484,935
JBrowse link
G Jun Jun proto-oncogene, AP-1 transcription factor subunit multiple interactions ISO scoparone inhibits the reaction [[Galactose co-treated with lipopolysaccharide, Escherichia coli O111 B4] affects the localization of and results in increased expression of JUN protein modified form] CTD PMID:23535186 NCBI chr 5:109,894,175...109,897,268
Ensembl chr 5:109,893,145...109,897,656
JBrowse link
G Myd88 MYD88, innate immune signal transduction adaptor multiple interactions ISO scoparone inhibits the reaction [[Galactose co-treated with lipopolysaccharide, Escherichia coli O111 B4] results in increased expression of MYD88 protein] CTD PMID:23535186 NCBI chr 8:119,074,439...119,078,508
Ensembl chr 8:119,074,437...119,079,415
JBrowse link
G Nfkb1 nuclear factor kappa B subunit 1 multiple interactions ISO scoparone inhibits the reaction [Tetradecanoylphorbol Acetate affects the localization of NFKB1 protein] CTD PMID:16376386 NCBI chr 2:224,016,214...224,132,135
Ensembl chr 2:224,016,214...224,110,404
JBrowse link
G Nfkbia NFKB inhibitor alpha multiple interactions ISO scoparone inhibits the reaction [Tetradecanoylphorbol Acetate results in increased phosphorylation of NFKBIA protein] CTD PMID:16376386 NCBI chr 6:72,858,713...72,861,941
Ensembl chr 6:72,858,712...72,861,941
JBrowse link
G Rel REL proto-oncogene, NF-kB subunit multiple interactions ISO scoparone inhibits the reaction [Tetradecanoylphorbol Acetate affects the localization of REL protein] CTD PMID:16376386 NCBI chr14:97,690,105...97,721,194
Ensembl chr14:97,695,161...97,720,892
JBrowse link
G Rela RELA proto-oncogene, NF-kB subunit multiple interactions ISO scoparone inhibits the reaction [[Galactose co-treated with lipopolysaccharide, Escherichia coli O111 B4] affects the localization of and results in increased expression of RELA protein]
scoparone inhibits the reaction [Tetradecanoylphorbol Acetate affects the localization of RELA protein]; scoparone inhibits the reaction [Tetradecanoylphorbol Acetate results in increased activity of RELA protein]
CTD PMID:16376386 PMID:23535186 NCBI chr 1:202,925,001...202,935,484
Ensembl chr 1:202,924,945...202,935,484
JBrowse link
G Ticam1 toll-like receptor adaptor molecule 1 multiple interactions ISO scoparone inhibits the reaction [[Galactose co-treated with lipopolysaccharide, Escherichia coli O111 B4] results in increased expression of TICAM1 protein] CTD PMID:23535186 NCBI chr 9:1,102,559...1,115,573 JBrowse link
G Tlr4 toll-like receptor 4 multiple interactions ISO scoparone inhibits the reaction [[Galactose co-treated with lipopolysaccharide, Escherichia coli O111 B4] results in increased expression of TLR4 protein] CTD PMID:23535186 NCBI chr 5:80,145,867...80,159,501
Ensembl chr 5:80,145,826...80,159,628
JBrowse link
G Tnf tumor necrosis factor multiple interactions ISO scoparone inhibits the reaction [[Galactose co-treated with lipopolysaccharide, Escherichia coli O111 B4] results in increased expression of TNF protein] CTD PMID:23535186 NCBI chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629
JBrowse link
G Tyr tyrosinase multiple interactions
increases expression
ISO N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide inhibits the reaction [scoparone results in increased expression of TYR protein]; scoparone results in increased expression of and results in increased activity of TYR protein
scoparone results in increased expression of TYR mRNA
CTD PMID:17049123 NCBI chr 1:141,115,036...141,210,207
Ensembl chr 1:141,115,036...141,210,207
JBrowse link
G Tyrp1 tyrosinase-related protein 1 increases expression ISO scoparone results in increased expression of TYRP1 mRNA CTD PMID:17049123 NCBI chr 5:95,280,982...95,299,516
Ensembl chr 5:95,280,982...95,299,516
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19795
    role 19746
      application 19492
        anti-inflammatory agent 15837
          scoparone 16
Path 2
Term Annotations click to browse term
  CHEBI ontology 19795
    subatomic particle 19794
      composite particle 19794
        hadron 19794
          baryon 19794
            nucleon 19794
              atomic nucleus 19794
                atom 19794
                  main group element atom 19693
                    p-block element atom 19693
                      carbon group element atom 19614
                        carbon atom 19604
                          organic molecular entity 19604
                            organic molecule 19545
                              organic cyclic compound 19339
                                organic heterocyclic compound 18579
                                  oxacycle 17602
                                    benzopyran 11160
                                      1-benzopyran 10901
                                        chromenes 3027
                                          chromenone 2967
                                            coumarins 2721
                                              hydroxycoumarin 333
                                                esculetin 63
                                                  scoparone 16
paths to the root