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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 19821
    role 19769
      application 19481
        agrochemical 15037
          cafenstrole 1
Path 2
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  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
                                  heteroarene 16530
                                    monocyclic heteroarene 13437
                                      azole 12628
                                        triazoles 3664
                                          cafenstrole 1
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