Compound Identification
SMILES
COCC[C@H]1CC2CN3CCC4=C(NC5=CC=CC=C45)[C@](C2)(C13)C(=O)NCCCCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12
InChIKey
InChIKey=BOLQAVIESYXIDT-PZIGZCLRSA-N
Formula
C37H54N6O4S
Mass
678.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Ibogan-type alkaloids
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Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ibogan-type alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Ibogan-type alkaloids
Alternative Parents
Biotin and derivatives 3-alkylindoles Pyrroloazepines Piperidinecarboxamides Thienoimidazolidines Aralkylamines Azepines Benzenoids Imidazolidinones N-acyl amines Heteroaromatic compounds Thiolanes Thiophenes Pyrroles Trialkylamines Amino acids and derivatives Ureas Secondary carboxylic acid amides Dialkylthioethers Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Biotin_derivative - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - 3-piperidinecarboxamide - Piperidinecarboxamide - Thienoimidazolidine - Azepine - Aralkylamine - Fatty amide - Imidazolidinone - Fatty acyl - N-acyl-amine - Benzenoid - Piperidine - Thiophene - Thiolane - Imidazolidine - Pyrrole - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Thioether - Organoheterocyclic compound - Azacycle - Dialkylthioether - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ibogan-type alkaloids. These are indole alkaloids with a structure based on the ibogamine skeleton or a derivative thereof. Ibogamine is a pentacyclic heterocyclic compound consisting of an indole fused to an azepane-containing tricyclic moiety ring. Iboga alkaloids arise from the cyclization of a secodine-type precursor through the formation of a 16,21 bond.
External Descriptors
Not available