Structure Information
Structure

Compound Identification

SMILES

O=C(CC[NH+]1CCOCC1)NC1=C(C=CC(=C1)C(=O)NCC1=CC=CS1)N1CC2CC(C1)C1=CC=CC(=O)N1C2

InChIKey

InChIKey=CVGHNFSKTZRAOZ-UHFFFAOYSA-O

Formula

C30H36N5O4S

Mass

562.71

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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 - Acylaminobenzoic acid or derivatives - Phenylpiperidine - Beta amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - 2'-aminoanilide - Benzamide - Benzoic acid or derivatives - Anilide - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - N-arylamide - Aralkylamine - Pyridinone - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Oxazinane - Morpholine - Thiophene - Quaternary ammonium salt - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organooxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - 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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