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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:dioncophylline A
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Accession:CHEBI:31504 term browser browse the term
Definition:An isoquinoline alkaloid that is the biaryl resulting from substitution of the hydrogen at the 7-position of (1R,3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol by a 4,5-dimethoxy-2-methylnaphthalen-1-yl group. It is a naphthylisoquinoline alkaloid isolated from the roots and stem barks of Triphyophyllum peltatum and exhibits antifungal, antimalarial, antineoplastic and molluscicidal activites.
Synonyms:exact_synonym: (1R,3R)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
 related_synonym: Formula=C24H27NO3;   InChI=1S/C24H27NO3/c1-13-11-20(28-5)23-17(7-6-8-19(23)27-4)21(13)18-10-9-16-12-14(2)25-15(3)22(16)24(18)26/h6-11,14-15,25-26H,12H2,1-5H3/t14-,15-/m1/s1;   InChIKey=MXIZZLBQRBAZEX-HUUCEWRRSA-N;   SMILES=COc1cccc2c(c(C)cc(OC)c12)-c1ccc2C[C@@H](C)N[C@H](C)c2c1O
 alt_id: CHEBI:66271
 xref: CAS:60142-17-8;   KEGG:C12336;   KNApSAcK:C00025302;   PMID:16971341;   PMID:17252498;   PMID:17263326;   PMID:8953426;   PMID:9134743;   PMID:9371362;   Patent:US5260315;   Reaxys:5830236


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      biological role 25929
        biochemical role 25162
          metabolite 25092
            dioncophylline A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            organic molecule 25222
                              organic cyclic compound 24274
                                carbocyclic compound 22040
                                  carbopolycyclic compound 19842
                                    carbobicyclic compound 5970
                                      naphthalenes 3836
                                        alkyloxynaphthalene 119
                                          methoxynaphthalene 120
                                            dioncophylline A 0
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