Structure Information
Structure

Compound Identification

SMILES

O=C(CN1C(=O)S\C(=C\C2=CC=CO2)C1=O)N1C[C@@H]2C[C@H](C1)C1=CC=CC(=O)N1C2

InChIKey

InChIKey=VETIPRLHUXVWSV-RXZALDHMSA-N

Formula

C21H19N3O5S

Mass

425.46

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Lupin alkaloids

Subclass

Cytisine and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Cytisine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cytisine - Alpha-amino acid or derivatives - N-acyl-piperidine - Pyridinone - Thiazolidinedione - Piperidine - Pyridine - Dicarboximide - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazolidine - Lactam - Carboxamide group - Thiocarbamic acid derivative - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cytisine and derivatives. These are lupin alkaloids with a structure based on the cytisine skeleton, which is a tetracyclic ketone containing fused pyridine and piperidine rings that form pyrido[1,2a][1,5]diazocin-8-one.

External Descriptors

Not available

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