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Structure Information
Structure

Compound Identification

SMILES

OCC1=C(CO)C2=C3[C@H](CC22C=CC(=O)C=C2)NCCC3=C1

InChIKey

InChIKey=DAJSKKZSVHOUPE-HNNXBMFYSA-N

Formula

C18H19NO3

Mass

297.354

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Proaporphines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Proaporphines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Proaporphine - Tetrahydroisoquinoline - Indane - Aralkylamine - Benzenoid - Ketone - Cyclic ketone - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Amine - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as proaporphines. These are benzylisoquinoline derivatives characterized by the presence of a spirocyclohexane ring that can occur in various oxidation levels, from cyclohexadienone to cyclohexanol.

External Descriptors

Not available

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