Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(NC(=S)N2CC3CC(C2)C2=CC=CC(=O)N2C3)C=C1

InChIKey

InChIKey=DWJAUQKUFYVBGL-UHFFFAOYSA-N

Formula

C20H21N3O3S

Mass

383.47

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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 - Benzoate ester - N-phenylthiourea - Benzoic acid or derivatives - Benzoyl - Pyridinone - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Lactam - Thiourea - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur 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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