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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 chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
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  CHEBI ontology 20059
    role 20009
      application 19747
        refrigerant 18087
          ammonia 17517
            organic amino compound 17517
              tertiary amino compound 8854
                dauricine 1
                  guattegaumerine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20059
    subatomic particle 20056
      composite particle 20056
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19956
                    main group molecular entity 19956
                      s-block molecular entity 19744
                        hydrogen molecular entity 19736
                          hydrides 19102
                            inorganic hydride 17893
                              pnictogen hydride 17876
                                nitrogen hydride 17766
                                  azane 17518
                                    ammonia 17517
                                      organic amino compound 17517
                                        tertiary amino compound 8854
                                          dauricine 1
                                            guattegaumerine 0
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