Compound Identification
SMILES
CCC1CC2CC3(C1[N+]1([O-])CC(OC21)C1=C3NC2=C1C=C(OC)C=C2)C(=O)OC
InChIKey
InChIKey=FTRDJKNSAZYQLO-UHFFFAOYSA-N
Formula
C22H26N2O5
Mass
398.459
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
3-alkylindoles Pyrroloazepines Piperidinecarboxylic acids Anisoles Alkyl aryl ethers Azepines Trialkyl amine oxides Pyrroles Oxazolidines Heteroaromatic compounds Methyl esters Hemiaminals Trisubstituted amine oxides and derivatives Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic zwitterions Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Piperidinecarboxylic acid - Indole or derivatives - Indole - Anisole - Alkyl aryl ether - Azepine - Piperidine - Benzenoid - Oxazolidine - Pyrrole - Methyl ester - Heteroaromatic compound - Trialkyl amine oxide - Carboxylic acid ester - Hemiaminal - Trisubstituted n-oxide - Carboxylic acid derivative - Ether - N-oxide - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Organic zwitterion - 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