Structure Information
Structure

Compound Identification

SMILES

COc1ccc(C=NNC(=O)C2=C(Cl)c3ccccc3S2)cc1CN1C[C@@H]2C[C@@H](C1)C1=CC=CC(=O)N1C2

InChIKey

InChIKey=GAVCTEAUCXGDSL-PMACEKPBSA-N

Formula

C29H27ClN4O3S

Mass

547.07

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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 - Benzylpiperidine - N-benzylpiperidine - 1-benzothiophene - Benzothiophene - Phenoxy compound - Methoxybenzene - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Phenylmethylamine - Phenol ether - Benzylamine - Anisole - Aralkylamine - Pyridinone - Alkyl aryl ether - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Thiophene - Tertiary aliphatic amine - Tertiary amine - Lactam - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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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