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An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group.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An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group.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 | ||
has role |
http://purl.obolibrary.org/obo/CHEBI_35499 http://purl.obolibrary.org/obo/CHEBI_76924 |
|
has_exact_synonym |
(18R)-12-methoxyibogamine Ibogaine |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
Endabuse (-)-ibogaine 12-methoxyibogamine |
|
id |
CHEBI:5852 |
|
in_subset | ||
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 | ||
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 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 |