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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:ibogaine
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Accession:CHEBI:5852 term browser browse the term
Definition:An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group.
Synonyms:exact_synonym: (18R)-12-methoxyibogamine
 related_synonym: 12-methoxyibogamine;   Endabuse;   Formula=C20H26N2O;   InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1;   InChIKey=HSIBGVUMFOSJPD-CFDPKNGZSA-N;   SMILES=[C@@]12([C@@]3([C@H](C[C@](C1)(CN3CCC=4C5=C(C=CC(=C5)OC)NC42)[H])CC)[H])[H]
 xref: CAS:83-74-9;   KEGG:C09214;   KNApSAcK:C00001741
 xref_mesh: MESH:D007050
 xref: MetaCyc:CPD-21566;   PMID:17698848;   PMID:18650249;   PMID:30216039;   PMID:30471678;   PMID:30471681;   PMID:30678129;   PMID:30890941;   PMID:30967101;   PMID:31364847;   PMID:31630892;   PMID:7531855;   PMID:7596224;   PMID:8874134;   Wikipedia:Ibogaine
 cyclic_relationship: is_conjugate_base_of CHEBI:146259

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        inhibitor 0
          ibogaine 0
            noribogaine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        tertiary amino compound 0
                                          ibogamine 0
                                            ibogaine 0
                                              noribogaine 0
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