Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(=O)NC1=CC=C2[C@@H]3C[C@H](CN2C1=O)C[NH+](CC1=CC=CC=N1)C3

InChIKey

InChIKey=XCKWBSZWLMBDFL-PKOBYXMFSA-O

Formula

C25H27N4O3

Mass

431.515

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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 - Benzamide - Benzoic acid or derivatives - Phenoxy compound - 2-pyridylmethylamine - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Pyridinone - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Quaternary ammonium salt - Heteroaromatic compound - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Organoheterocyclic compound - Ether - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organic cation - 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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