Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=AJESAGOZCRSVNL-UHFFFAOYSA-N

Formula

C29H28ClN3O5

Mass

534.01

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