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organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group.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:
inhibitor  A substance that diminishes the rate of a chemical reaction.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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