Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(Cl)C=C1)C(=O)NC(=CC1=CC=CC=C1Cl)C(=O)N1CC2CC(C1)C1=CC=CC(=O)N1C2

InChIKey

InChIKey=WHEBCUGHUXMVIS-UHFFFAOYSA-N

Formula

C28H25Cl2N3O4

Mass

538.43

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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 - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Chlorobenzene - Halobenzene - Pyridinone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyridine - Piperidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen 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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