Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)C(=O)NC(=S)N1CC2CC(C1)C1=CC=CC(=O)N1C2

InChIKey

InChIKey=DSNBJZDRWMZWQT-UHFFFAOYSA-N

Formula

C21H23N3O4S

Mass

413.49

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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 - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridinone - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Thiourea - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen 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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