Structure Information
Structure

Compound Identification

SMILES

CO[C@H]1C[C@]23C(=NC4=C2C=C(OC)C=C4)[C@@H]2C[C@@H](\C(CN12)=C/C)[C@]3(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C(=O)OC

InChIKey

InChIKey=XKFJXNCXTUBNCB-IITKNETISA-N

Formula

C33H38N2O9

Mass

606.672

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Corynanthean-type alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Corynanthean-type alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Corynanthean skeleton - Akuammilan skeleton - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Quinolizidine - 3-alkylindole - Benzoate ester - Indole or derivatives - Benzoic acid or derivatives - Benzoyl - Phenol ether - Anisole - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Benzenoid - Piperidine - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Ketimine - Hemiaminal - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Imine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as corynanthean-type alkaloids. These are alkaloids with a structure based on the corynanthean nucleus, which is a tetracycle characterized by an indole fused to a quinolizidine. Additionally, the quinolizidine ring system is substituted to a 2-methylpropyl group and one ethyl group.

External Descriptors

Not available

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