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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:2-(3,4-dimethoxyphenyl)-5-\{[2-(3,4-dimethoxyphenyl)ethyl]amino\}-2-(propan-2-yl)pentanenitrile
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Accession:CHEBI:134080 term browser browse the term
Definition:A secondary amino compound that is 3,4-dimethoxyphenylethylamine in which one of the hydrogens attached to the nitrogen has been replaced by a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.
Synonyms:related_synonym: Formula=C26H36N2O4;   InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3;   InChIKey=UPKQNCPKPOLASS-UHFFFAOYSA-N;   SMILES=O(C=1C=C(CCNCCCC(C2=CC(OC)=C(OC)C=C2)(C(C)C)C#N)C=CC1OC)C


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norverapamil term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp3a9 cytochrome P450, family 3, subfamily a, polypeptide 9 decreases activity ISO norverapamil results in decreased activity of CYP3A5 protein CTD PMID:15689501 NCBI chr12:16,806,222...16,846,428
Ensembl chr12:16,806,207...16,846,422 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19880
    chemical entity 19878
      group 19831
        pseudohalo group 4581
          cyano group 4581
            nitrile 4581
              2-(3,4-dimethoxyphenyl)-5-\{[2-(3,4-dimethoxyphenyl)ethyl]amino\}-2-(propan-2-yl)pentanenitrile 1
                (R)-norverapamil + 1
                (S)-norverapamil + 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    main group molecular entity 19817
                      s-block molecular entity 19653
                        hydrogen molecular entity 19634
                          hydrides 19144
                            inorganic hydride 18161
                              pnictogen hydride 18151
                                nitrogen hydride 18064
                                  azane 17872
                                    ammonia 17871
                                      organic amino compound 17871
                                        secondary amino compound 6954
                                          2-(3,4-dimethoxyphenyl)-5-\{[2-(3,4-dimethoxyphenyl)ethyl]amino\}-2-(propan-2-yl)pentanenitrile 1
                                            (R)-norverapamil + 1
                                            (S)-norverapamil + 1
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