Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC1=CC=C(NC(=S)N2CCCC3=CC4C[C@H](CN5CCCC[C@H]45)[C@H]23)C=C1

InChIKey

InChIKey=HTFIDJSGQLUDQV-QOSLIDRCSA-N

Formula

C25H33N3O2S

Mass

439.62

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Lupin alkaloids

Subclass

Aloperine and related alkaloids

Intermediate Tree Nodes

Not available

Direct Parent

Aloperine and related alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aloperine skeleton - N-phenylthiourea - Quinolizidine - Monocyclic benzene moiety - Piperidine - Benzenoid - Methyl ester - Amino acid or derivatives - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Amine - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aloperine and related alkaloids. These are lupin Alkaloids with a structure based on the aloperine skeleton. Aloperine is a tetracyclic compound made up of a quinolizidine and a decahydroquinoline joined to form 3,15-diazatetracycloheptadecane.

External Descriptors

Not available

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