Structure Information
Structure

Compound Identification

SMILES

COC(O)C1(C(O)CCC2CN3CCC4=C(NC5=C4C=CC=C5)C3CC12)C(O)=O

InChIKey

InChIKey=ROWMSYNNEDLXMQ-UHFFFAOYSA-N

Formula

C22H28N2O5

Mass

400.475

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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 - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Beta-hydroxy acid - Aralkylamine - Benzenoid - Piperidine - Hydroxy acid - Heteroaromatic compound - Cyclic alcohol - Pyrrole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid - Hemiacetal - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Organic nitrogen 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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