Structure Information
Structure

Compound Identification

SMILES

FC1=CC=C(C=C1)C(=O)N\N=C1/C(=O)N(CN2C[C@H]3C[C@H](C2)C2=CC=CC(=O)N2C3)C2=C1C=C(Br)C=C2

InChIKey

InChIKey=YAIKEVIXMKMQOU-HVRZEQJGSA-N

Formula

C27H23BrFN5O3

Mass

564.415

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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 - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Indole or derivatives - Benzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Pyridinone - Aryl bromide - Aryl fluoride - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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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