Structure Information
Structure

Compound Identification

SMILES

CCCCN(C)C(=O)C1=CC(NC(=S)NC2=CC=C(C)C=C2)=C(C=C1)N1CC2CC(C1)C1=CC=CC(=O)N1C2

InChIKey

InChIKey=LHWZWHRPSDFOIP-UHFFFAOYSA-N

Formula

C31H37N5O2S

Mass

543.73

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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 - Phenylpiperidine - Aminobenzamide - Aminobenzoic acid or derivatives - N-phenylthiourea - Benzamide - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Benzoyl - Dialkylarylamine - Toluene - Aralkylamine - Pyridinone - Piperidine - Monocyclic benzene moiety - Benzenoid - Pyridine - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Thiourea - Lactam - Tertiary amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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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