Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=NTKGXDPAVXTLAX-UHFFFAOYSA-N

Formula

C29H27BrFN3O5

Mass

596.453

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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 - O-dimethoxybenzene - Dimethoxybenzene - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Pyridinone - Piperidine - Pyridine - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Carboxamide group - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organobromide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organohalogen 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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