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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:dauricine
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Accession:CHEBI:4331 term browser browse the term
Definition:A bisbenzylisoquinoline alkaloid resulting from the formal oxidative dimerisation of 4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenol by attachment of the phenolic oxygen of one molecule to the benzene ring of the second (ortho to the phenolic hydroxy group of the latter).
Synonyms:exact_synonym: 4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-(4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)phenol
 related_synonym: Formula=C38H44N2O6;   InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1;   InChIKey=AQASRZOCERRGBL-ROJLCIKYSA-N;   SMILES=COc1cc2CCN(C)[C@H](Cc3ccc(Oc4cc(C[C@H]5N(C)CCc6cc(OC)c(OC)cc56)ccc4O)cc3)c2cc1OC
 xref: Beilstein:75683;   CAS:524-17-4;   KEGG:C09419;   KNApSAcK:C00001845;   KNApSAcK:C00028131
 xref_mesh: MESH:C035934
 xref: Wikipedia:Dauricine


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dauricine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G CYP3A4 cytochrome P450 family 3 subfamily A member 4 multiple interactions
increases glutathionylation		 EXP [CYP3A4 protein results in increased glutathionylation of dauricine] which results in increased chemical synthesis of N-desmethyldauricine; [CYP3A4 protein results in increased glutathionylation of dauricine] which results in increased chemical synthesis of quinone methide; CYP3A4 protein results in increased oxidation of and results in increased activity of dauricine; Ketoconazole inhibits the reaction [CYP3A4 protein results in increased glutathionylation of dauricine] CTD PMID:19358519 NCBI chr 7:99,756,967...99,784,184
Ensembl chr 7:99,756,960...99,784,248 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26089
    role 26005
      application 25223
        NMR chemical shift reference compound 20450
          ammonia 19945
            organic amino compound 19965
              tertiary amino compound 10447
                dauricine 1
                  guattegaumerine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26089
    subatomic particle 26064
      composite particle 26064
        hadron 26064
          baryon 26064
            nucleon 26016
              atomic nucleus 26064
                atom 26064
                  main group element atom 25891
                    main group molecular entity 25891
                      s-block molecular entity 25200
                        hydrogen molecular entity 24793
                          hydrides 22993
                            inorganic hydride 20521
                              pnictogen hydride 20462
                                nitrogen hydride 20240
                                  azane 19966
                                    ammonia 19945
                                      organic amino compound 19965
                                        tertiary amino compound 10447
                                          dauricine 1
                                            guattegaumerine 0
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