Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=C2C3CNCC(C3)CN2C1=O.CN1C2=C(C3=CC=CC=C13)C(=O)C(CN1C=CN=C1C)CC2

InChIKey

InChIKey=ZGWIOMZCPXRVSB-UHFFFAOYSA-N

Formula

C29H32BrN5O2

Mass

562.512

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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

Not available

Substituents

Cytisine - Carbazole - N-alkylindole - Indole - Indole or derivatives - Aryl ketone - Aryl alkyl ketone - Pyridinone - Aralkylamine - Aryl bromide - Aryl halide - N-methylpyrrole - N-substituted imidazole - Piperidine - Pyridine - Substituted pyrrole - Benzenoid - Vinylogous amide - Azole - Pyrrole - Heteroaromatic compound - Imidazole - Lactam - Ketone - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen 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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