Structure Information
Structure

Compound Identification

SMILES

CC[C@]12OC1[C@H]1CC3(C2N(CCC2=C3NC3=C2C=CC(CC2=CC(OC)=C(OC)C=C2)=C3)C1=O)C(=O)OC

InChIKey

InChIKey=HRSSLGYLZKCXOG-CBMAUHEGSA-N

Formula

C30H32N2O6

Mass

516.594

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Ibogan skeleton - Catharanthine skeleton - Pyrroloazepine - O-dimethoxybenzene - Dimethoxybenzene - 3-alkylindole - Piperidinecarboxylic acid - Indole - Indole or derivatives - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Oxepane - Para-oxazepine - Alkyl aryl ether - Epoxypiperidine - Azepine - Delta-lactam - Piperidinone - Piperidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Carboxylic acid ester - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxygen 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

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