Compound Identification
SMILES
CC[C@H]1C[C@@H]2CN3CCC4C(NC5=C4C=C(OC)C(=C5)[C@H]4C[C@H]5C(C\C5=C\C)[C@@H](C(CC5=C4NC4=CC=CC=C54)NC)C(=O)OC)[C@](C2)([C@H]13)C(=O)OC
InChIKey
InChIKey=YASZRXHHZSXNQI-VRHVUSBISA-N
Formula
C44H56N4O5
Mass
720.955
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
Beta amino acids and derivatives 3-alkylindoles Piperidinecarboxylic acids Indolines Anisoles Secondary alkylarylamines Alkyl aryl ethers Aralkylamines Azepanes Dicarboxylic acids and derivatives Pyrroles Methyl esters Heteroaromatic compounds Trialkylamines Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Catharanthine skeleton - Beta amino acid or derivatives - 3-alkylindole - Dihydroindole - Piperidinecarboxylic acid - Indole or derivatives - Indole - Anisole - Phenol ether - Alkyl aryl ether - Azepane - Secondary aliphatic/aromatic amine - Aralkylamine - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Heteroaromatic compound - Pyrrole - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Ether - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen 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