Structure Information
Structure

Compound Identification

SMILES

CCOCCCN1C(=S)S\C(=C/C2=C(N=C3C=CC=CN3C2=O)N2C[C@@H]3C[C@H](C2)C2=CC=CC(=O)N2C3)C1=O

InChIKey

InChIKey=PQQNBBHMEOXZCI-PKZBJUDCSA-N

Formula

C28H29N5O4S2

Mass

563.69

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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 - Pyridopyrimidine - Dialkylarylamine - Aminopyrimidine - Pyridinone - Pyrimidone - Piperidine - Pyridine - Pyrimidine - Thiazolidinethione - Imidolactam - Dithiocarbamic acid ester - Thiazolidine - Heteroaromatic compound - Vinylogous amide - Cyclic dithiocarbamic acid ester - Tertiary amine - Amino acid or derivatives - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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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