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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:cafenstrole
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Accession:CHEBI:81787 term browser browse the term
Definition:A benzene that has formula C16H22N4O3S.
Synonyms:related_synonym: Formula=C16H22N4O3S;   InChI=1S/C16H22N4O3S/c1-6-19(7-2)16(21)20-10-17-15(18-20)24(22,23)14-12(4)8-11(3)9-13(14)5/h8-10H,6-7H2,1-5H3;   InChIKey=HFEJHAAIJZXXRE-UHFFFAOYSA-N;   N,N-diethyl-3-(2,4,6-trimethylbenzene-1-sulfonyl)-1H-1,2,4-triazole-1-carboxamide;   N,N-diethyl-3-[(2,4,6-trimethylphenyl)sulfonyl]-1H-1,2,4-triazole-1-carboxamide;   N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide;   SMILES=C1(=C(C(=CC(=C1)C)C)S(C2=NN(C=N2)C(N(CC)CC)=O)(=O)=O)C
 xref: CAS:125306-83-4;   KEGG:C18497
 xref_mesh: MESH:C444649
 xref: PMID:11724382;   PMID:26396825;   PPDB:858;   Pesticides:cafenstrole



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cafenstrole term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 multiple interactions ISO cafenstrole binds to and results in increased activity of NR1I2 protein CTD PMID:21115097 NCBI chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658
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  CHEBI ontology 19911
    role 19854
      application 19722
        agrochemical 16894
          cafenstrole 1
Path 2
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  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19880
          baryon 19880
            nucleon 19909
              atomic nucleus 19880
                atom 19909
                  main group element atom 19849
                    p-block element atom 19849
                      carbon group element atom 19766
                        carbon atom 19785
                          organic molecular entity 19785
                            organic molecule 19737
                              organic cyclic compound 19526
                                organic heterocyclic compound 18870
                                  heteroarene 17171
                                    monocyclic heteroarene 14996
                                      azole 14519
                                        triazoles 8416
                                          cafenstrole 1
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