Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:5852 - ibogaine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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to the indole nitrogen has been replaced by a methoxy group.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.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
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
(18
R
)-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
View more database links
Registry Numbers
Types
Sources
83-74-9
CAS Registry Number
ChemIDplus
83-74-9
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
17698848
PubMed citation
Europe PMC
18650249
PubMed citation
Europe PMC
30216039
PubMed citation
Europe PMC
30471678
PubMed citation
Europe PMC
30471681
PubMed citation
Europe PMC
30678129
PubMed citation
Europe PMC
30890941
PubMed citation
Europe PMC
30967101
PubMed citation
Europe PMC
31364847
PubMed citation
Europe PMC
31630892
PubMed citation
Europe PMC
7531855
PubMed citation
Europe PMC
7596224
PubMed citation
Europe PMC
8874134
PubMed citation
Europe PMC
Last Modified
06 March 2020