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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](methyl)amino\}-2-(propan-2-yl)pentanenitrile
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Accession:CHEBI:77733 term browser browse the term
Definition:A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.
Synonyms:related_synonym: Formula=C27H38N2O4;   InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3;   InChIKey=SGTNSNPWRIOYBX-UHFFFAOYSA-N;   SMILES=COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
 xref: CAS:52-53-9;   KEGG:C07188;   KEGG:D02356;   LINCS:LSM-1298
 xref_mesh: MESH:D014700


show annotations for term's descendants           Sort by:
2-(3,4-dimethoxyphenyl)-5-\{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino\}-2-(propan-2-yl)pentanenitrile term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G ABCB1 ATP binding cassette subfamily B member 1 multiple interactions EXP [Verapamil results in decreased activity of ABCB1 protein] which affects the transport of Digoxin CTD PMID:20510202 NCBI chr14:13,644,891...13,852,829
Ensembl chr14:13,542,647...13,742,727 		JBrowse link
verapamil term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G ABCB1 ATP binding cassette subfamily B member 1 multiple interactions EXP [Verapamil results in decreased activity of ABCB1 protein] which affects the transport of Digoxin CTD PMID:20510202 NCBI chr14:13,644,891...13,852,829
Ensembl chr14:13,542,647...13,742,727 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 494
    chemical entity 501
      group 488
        pseudohalo group 2
          cyano group 2
            nitrile 2
              2-(3,4-dimethoxyphenyl)-5-\{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino\}-2-(propan-2-yl)pentanenitrile 1
                (S)-verapamil + 1
                dexverapamil + 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    main group molecular entity 487
                      s-block molecular entity 438
                        hydrogen molecular entity 437
                          hydrides 362
                            inorganic hydride 327
                              pnictogen hydride 326
                                nitrogen hydride 326
                                  azane 321
                                    ammonia 321
                                      organic amino compound 321
                                        tertiary amino compound 175
                                          2-(3,4-dimethoxyphenyl)-5-\{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino\}-2-(propan-2-yl)pentanenitrile 1
                                            (S)-verapamil + 1
                                            dexverapamil + 1
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