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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:(S)-canadine
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Accession:CHEBI:16592 term browser browse the term
Definition:The (S)-enantiomer of canadine.
Synonyms:exact_synonym: (13aS)-9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline
 related_synonym: (13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine;   (S)-Tetrahydroberberine;   Formula=C20H21NO4;   InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1;   InChIKey=VZTUIEROBZXUFA-INIZCTEOSA-N;   SMILES=[H][C@@]12Cc3ccc(OC)c(OC)c3CN1CCc1cc3OCOc3cc21;   canadine l-form
 alt_id: CHEBI:11059;   CHEBI:11074;   CHEBI:18773;   CHEBI:413
 xref: Beilstein:96684;   CAS:5096-57-1;   KEGG:C03329;   KNApSAcK:C00028005;   PMID:21661731;   Reaxys:96684
 cyclic_relationship: is_enantiomer_of CHEBI:18146


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26040
    role 25956
      biological role 25935
        pharmacological role 22059
          anti-obesity agent 486
            (S)-nandinine 0
              (S)-canadine 0
                (13S,14R)-1,13-dihydroxy-N-methylcanadine + 0
                (S)-N-methylcanadine + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26040
    subatomic particle 26015
      composite particle 26015
        hadron 26015
          baryon 26015
            nucleon 26015
              atomic nucleus 26015
                atom 26015
                  main group element atom 25840
                    main group molecular entity 25840
                      s-block molecular entity 25160
                        hydrogen molecular entity 24758
                          hydrides 22970
                            inorganic hydride 20486
                              pnictogen hydride 20427
                                nitrogen hydride 20203
                                  azane 19946
                                    ammonia 19945
                                      organic amino compound 19945
                                        tertiary amino compound 10435
                                          (S)-nandinine 0
                                            (S)-canadine 0
                                              (13S,14R)-1,13-dihydroxy-N-methylcanadine + 0
                                              (S)-N-methylcanadine + 0
paths to the root