CHEBI:5852 - ibogaine

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ChEBI Name ibogaine
ChEBI ID CHEBI:5852
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An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H26N2O
Net Charge 0
Average Mass 310.441
Monoisotopic Mass 310.20451
InChI 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]
Roles Classification
Biological Role(s): 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.
(via alkaloid )
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(−)-ibogaine ChemIDplus
12-methoxyibogamine ChemIDplus
Ibogaine KEGG COMPOUND
Brand Name Source
Endabuse ChemIDplus
Manual Xrefs Databases
C00001741 KNApSAcK
C09214 KEGG COMPOUND
CPD-21566 MetaCyc
Ibogaine Wikipedia
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Registry Numbers Types Sources
83-74-9 CAS Registry Number ChemIDplus
83-74-9 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
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Last Modified
06 March 2020