Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C2SC(=S)N(CCC(=O)N3CC4CC(C3)C3=CC=CC(=O)N3C4)C2=O)C=C1

InChIKey

InChIKey=KBAAVNZHBLMOHL-UHFFFAOYSA-N

Formula

C25H25N3O4S2

Mass

495.61

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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 - Beta amino acid or derivatives - N-acyl-piperidine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridinone - Monocyclic benzene moiety - Benzenoid - Thiazolidinethione - Pyridine - Piperidine - Heteroaromatic compound - Dithiocarbamic acid ester - Thiazolidine - Tertiary carboxylic acid amide - Cyclic dithiocarbamic acid ester - Carboxamide group - Lactam - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur 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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