Preferred Name

ibogaine

Synonyms

(18R)-12-methoxyibogamine

Ibogaine

Endabuse

(-)-ibogaine

12-methoxyibogamine

Definitions

An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group.

ID

http://purl.obolibrary.org/obo/CHEBI_5852

charge

0

database_cross_reference

Wikipedia:Ibogaine

PMID:30471678

PMID:31364847

PMID:30967101

PMID:30471681

KEGG:C09214

PMID:30216039

PMID:30678129

PMID:8874134

KNApSAcK:C00001741

PMID:31630892

PMID:17698848

MetaCyc:CPD-21566

PMID:7531855

PMID:30890941

CAS:83-74-9

PMID:18650249

PMID:7596224

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An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group.

formula

C20H26N2O

has functional parent

http://purl.obolibrary.org/obo/CHEBI_5853

has role

http://purl.obolibrary.org/obo/CHEBI_35499

http://purl.obolibrary.org/obo/CHEBI_76924

http://purl.obolibrary.org/obo/CHEBI_35222

http://purl.obolibrary.org/obo/CHEBI_146270

has_exact_synonym

(18R)-12-methoxyibogamine

Ibogaine

has_obo_namespace

chebi_ontology

has_related_synonym

Endabuse

(-)-ibogaine

12-methoxyibogamine

id

CHEBI:5852

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

is conjugate base of

http://purl.obolibrary.org/obo/CHEBI_146259

label

ibogaine

mass

310.441

monoisotopicmass

310.20451

notation

CHEBI:5852

prefLabel

ibogaine

smiles

[C@@]12([C@@]3([C@H](C[C@](C1)(CN3CCC=4C5=C(C=CC(=C5)OC)NC42)[H])CC)[H])[H]

treeView

http://purl.obolibrary.org/obo/CHEBI_35618

http://purl.obolibrary.org/obo/CHEBI_38164

http://purl.obolibrary.org/obo/CHEBI_65323

subClassOf

http://purl.obolibrary.org/obo/CHEBI_35618

http://purl.obolibrary.org/obo/CHEBI_38164

http://purl.obolibrary.org/obo/CHEBI_65323

Delete Subject Author Type Created
No notes to display