Structure Information
Structure

Compound Identification

SMILES

CC[C@@H]1C[C@@H]2CN3CCC4=C(NC5=C4C=C(OC)C=C5)C(COC(=O)C4=CC(OC)=C(OC)C=C4)(C2)C13

InChIKey

InChIKey=VWFYUUBLQUOKET-NARBZXIWSA-N

Formula

C30H36N2O5

Mass

504.627

Export to:

JSON SDF CSV

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 - P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Pyrroloazepine - 3-alkylindole - Benzoate ester - O-dimethoxybenzene - Dimethoxybenzene - Benzoic acid or derivatives - Indole - Indole or derivatives - Methoxybenzene - Benzoyl - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Azepine - Aralkylamine - Benzenoid - Piperidine - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Amine - 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

Previous Back Next