Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)C1=CC(NS(=O)(=O)C2=CC=C(Cl)C=C2)=C(C=C1)N1CC2CC(C1)C1=CC=CC(=O)N1C2

InChIKey

InChIKey=VIBJDUDKKDGIDD-UHFFFAOYSA-M

Formula

C24H21ClN3O5S

Mass

498.96

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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 - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - Tertiary aliphatic/aromatic amine - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Halobenzene - Pyridinone - Aralkylamine - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyridine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Amino acid - Lactam - Carboxylic acid salt - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic nitrogen compound - Amine - Organochloride - Organonitrogen compound - Organic anion - 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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