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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 Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases glutathionylation
multiple interactions		 ISO CYP3A4 protein results in increased glutathionylation of dauricine
[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 chr12:14,321,771...14,343,886
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19909
    role 19880
      application 19720
        NMR chemical shift reference compound 18090
          ammonia 17888
            organic amino compound 17888
              tertiary amino compound 10171
                dauricine 1
                  guattegaumerine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19909
    subatomic particle 19907
      composite particle 19907
        hadron 19907
          baryon 19907
            nucleon 19907
              atomic nucleus 19907
                atom 19907
                  main group element atom 19846
                    main group molecular entity 19846
                      s-block molecular entity 19679
                        hydrogen molecular entity 19661
                          hydrides 19163
                            inorganic hydride 18182
                              pnictogen hydride 18172
                                nitrogen hydride 18079
                                  azane 17889
                                    ammonia 17888
                                      organic amino compound 17888
                                        tertiary amino compound 10171
                                          dauricine 1
                                            guattegaumerine 0
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