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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | ibogaine | |
| Synonyms |
Endabuse (-)-ibogaine 12-methoxyibogamine (18R)-12-methoxyibogamine Ibogaine |
|
| 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An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group.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An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group.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 |
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