Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=XSHAQOQNEFALAT-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 - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Cinnamic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Alpha-amino acid or derivatives - Benzoic acid or derivatives - Benzamide - N-acyl-piperidine - Benzoyl - Methoxybenzene - Phenol ether - Phenoxy compound - Anisole - Chlorobenzene - Halobenzene - Pyridinone - Alkyl aryl ether - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous halide - Secondary carboxylic acid amide - Lactam - Carboxamide group - Ether - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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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