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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 chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19918
    role 19894
      application 19729
        NMR chemical shift reference compound 17992
          ammonia 17848
            organic amino compound 17848
              tertiary amino compound 10141
                dauricine 1
                  guattegaumerine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19918
    subatomic particle 19916
      composite particle 19916
        hadron 19916
          baryon 19916
            nucleon 19916
              atomic nucleus 19916
                atom 19916
                  main group element atom 19866
                    main group molecular entity 19866
                      s-block molecular entity 19698
                        hydrogen molecular entity 19684
                          hydrides 19159
                            inorganic hydride 18151
                              pnictogen hydride 18140
                                nitrogen hydride 18046
                                  azane 17849
                                    ammonia 17848
                                      organic amino compound 17848
                                        tertiary amino compound 10141
                                          dauricine 1
                                            guattegaumerine 0
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