CHEBI:5852 - ibogaine

ChEBI IDCHEBI:5852
ChEBI Nameibogaine
Stars
DefinitionAn organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group.
Last Modified6 March 2020
DownloadsMolfile
FormulaC20H26N2O
Net Charge0
Average Mass310.441
Monoisotopic Mass310.20451
SMILES[H][C@@]12C[C@H](CC)[C@]3([H])[N@@](CCc4c(nc5ccc(OC)cc45)[C@]3([H])C1)C2
InChIInChI=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
InChIKeyHSIBGVUMFOSJPD-CFDPKNGZSA-N
Wikipedia
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
inhibitor  A substance that diminishes the rate of a chemical reaction.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
hallucinogen  Drugs capable of inducing illusions, hallucinations, delusions, paranoid ideations and other alterations of mood and thinking.
oneirogen  Any substance that produces or enhances dream-like states of consciousness.
ChEBI Ontology
Outgoing Relation(s)
ibogaine (CHEBI:5852) has functional parent ibogamine (CHEBI:5853)
ibogaine (CHEBI:5852) has role hallucinogen (CHEBI:35499)
ibogaine (CHEBI:5852) has role inhibitor (CHEBI:35222)
ibogaine (CHEBI:5852) has role oneirogen (CHEBI:146270)
ibogaine (CHEBI:5852) has role plant metabolite (CHEBI:76924)
ibogaine (CHEBI:5852) is a aromatic ether (CHEBI:35618)
ibogaine (CHEBI:5852) is a monoterpenoid indole alkaloid (CHEBI:65323)
ibogaine (CHEBI:5852) is a organic heteropentacyclic compound (CHEBI:38164)
ibogaine (CHEBI:5852) is conjugate base of ibogaine(1+) (CHEBI:146259)
Incoming Relation(s)
noribogaine (CHEBI:146264) has functional parent ibogaine (CHEBI:5852)
ibogaine(1+) (CHEBI:146259) is conjugate acid of ibogaine (CHEBI:5852)
IUPAC Name 
(18R)-12-methoxyibogamine
Synonyms  Source
12-methoxyibogamineChemIDplus
(−)-ibogaineChemIDplus
IbogaineKEGG COMPOUND
Brand Name  Source
EndabuseChemIDplus
Manual XrefsDatabases
C00001741KNApSAcK
C09214KEGG COMPOUND
CPD-21566MetaCyc
IbogaineWikipedia
Registry NumbersSources
CAS:83-74-9NIST Chemistry WebBook
CAS:83-74-9KEGG COMPOUND
CAS:83-74-9ChemIDplus
Citations