Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(O)C(Br)=CC(CC2(CN3CC4CC(C3)C3=CC=CC(=O)N3C4)C(=O)N(C)C(=S)N(C)C2=O)=C1

InChIKey

InChIKey=YOLQANLNDICHCO-UHFFFAOYSA-N

Formula

C27H31BrN4O5S

Mass

603.53

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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 - Thiobarbiturate - Phenoxy compound - 2-bromophenol - Phenol ether - 2-halophenol - Alkyl aryl ether - Phenol - Pyridinone - Bromobenzene - Aralkylamine - Halobenzene - Aryl bromide - 1,3-diazinane - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Thiourea - Tertiary amine - Lactam - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organohalogen 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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