Structure Information
Structure

Compound Identification

SMILES

O=C1N2CC3CC(CN(CC4=CC=CS4)C3)C2=CC=C1C1=CC=CC=C1CN1CCOCC1

InChIKey

InChIKey=KZBINLZMJDLONG-UHFFFAOYSA-N

Formula

C27H31N3O2S

Mass

461.62

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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 - 3-phenylpyridine - Benzylamine - Phenylmethylamine - Pyridinone - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary amine - Tertiary aliphatic amine - Lactam - Azacycle - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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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