Structure Information
Structure

Compound Identification

SMILES

CC(C)CCNC(=O)C1=CC(NC(=S)NC2=CC(C)=CC(C)=C2)=C(C=C1)N1CC2CC(C1)C1=CC=CC(=O)N1C2

InChIKey

InChIKey=NODXLDBHWPCDAR-UHFFFAOYSA-N

Formula

C32H39N5O2S

Mass

557.76

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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 - Phenylpiperidine - Aminobenzamide - Aminobenzoic acid or derivatives - N-phenylthiourea - Benzamide - Benzoic acid or derivatives - M-xylene - Xylene - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - Pyridinone - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Thiourea - Carboxamide group - Lactam - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen 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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