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Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1(COC(=O)C2=CC(OC)=C(OC)C(OC)=C2)[C@@H]2C[C@@H]3N(CC[C@@]11C3=NC3=CC=CC=C13)C\C2=C\C

InChIKey

InChIKey=VFYWKVVSDATOPJ-MVMNWWGGSA-N

Formula

C31H34N2O7

Mass

546.62

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