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
Accession: CHEBI:5852
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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An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group.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
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 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008
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Scn5a
sodium voltage-gated channel alpha subunit 5
decreases activity
ISO
Ibogaine results in decreased activity of SCN5A protein
CTD
PMID:23707769
NCBI chr 8:119,220,905...119,318,816
Ensembl chr 8:119,220,905...119,318,769
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 2:211,418,557...211,526,588
Ensembl chr 2:211,418,623...211,526,587
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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 1:29,709,443...29,750,413
Ensembl chr 1:29,709,443...29,750,413
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