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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organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group.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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ibogaine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO Ibogaine results in decreased activity of KCNH2 protein CTD PMID:23707769 PMID:24307198 NCBI chr 4:7,355,066...7,387,282
Ensembl chr 4:7,355,574...7,387,253
JBrowse link
G Scn5a sodium voltage-gated channel alpha subunit 5 decreases activity ISO Ibogaine results in decreased activity of SCN5A protein CTD PMID:23707769 NCBI chr 8:128,169,191...128,266,681
Ensembl chr 8:128,169,191...128,266,639
JBrowse link
G Sec24d SEC24 homolog D, COPII coat complex component increases response to substance ISO SEC24D protein results in increased susceptibility to Ibogaine CTD PMID:27555326 NCBI chr 2:227,455,704...227,562,801
Ensembl chr 2:227,455,722...227,562,319
JBrowse link
G Slc6a3 solute carrier family 6 member 3 multiple interactions
increases expression
ISO Ibogaine inhibits the reaction [SLC6A3 protein mutant form results in decreased import of Dopamine]; Ibogaine promotes the reaction [SLC6A3 protein results in increased import of Dopamine]
Ibogaine results in increased expression of SLC6A3 protein
CTD PMID:27555326 NCBI chr 1:32,323,011...32,363,983
Ensembl chr 1:32,321,580...32,363,983
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19781
    role 19726
      biological role 19726
        inhibitor 18301
          ibogaine 4
            noribogaine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    main group molecular entity 19669
                      s-block molecular entity 19434
                        hydrogen molecular entity 19429
                          hydrides 18757
                            inorganic hydride 17455
                              pnictogen hydride 17431
                                nitrogen hydride 17278
                                  azane 17010
                                    ammonia 17009
                                      organic amino compound 17008
                                        tertiary amino compound 8673
                                          ibogamine 4
                                            ibogaine 4
                                              noribogaine 0
paths to the root