Structure Information
Structure

Compound Identification

SMILES

[Br-].O[C@H]([C@H]1C[C@@H]2CC[N+]1(CC1=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C(OCC3=CC=CC=C3)=C1)C[C@@H]2C=C)C1=CC=NC2=CC=CC=C12

InChIKey

InChIKey=GXWPJJQOZVACNP-HSHXVKBGSA-M

Formula

C47H47BrN2O4

Mass

783.807

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Cinchona alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinchona alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinchonan-skeleton - N-benzylpiperidine - Benzylpiperidine - 4-quinolinemethanol - Quinoline - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - Quinuclidine - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Piperidine - Pyridine - Heteroaromatic compound - Tetraalkylammonium salt - Quaternary ammonium salt - 1,2-aminoalcohol - Secondary alcohol - Organoheterocyclic compound - Ether - Azacycle - Amine - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic salt - Organic bromide salt - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cinchona alkaloids. These are alkaloids structurally characterized by the presence of the cinchonan skeleton, which consists of a quinoline linked to an azabicyclo[2.2.2]octane moiety.

External Descriptors

Not available

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