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Structure Information
Structure

Compound Identification

SMILES

CC[C@H]1C[NH+]2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCC2=CC(O)=C(OC)C=C12

InChIKey

InChIKey=DTGZHCFJNDAHEN-OZEXIGSWSA-P

Formula

C28H40N2O4

Mass

468.637

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Emetine alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Emetine alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Emetine alkaloid - Quinolizidine - Tetrahydroisoquinoline - Anisole - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Piperidine - Benzenoid - Quaternary ammonium salt - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Ether - Secondary aliphatic amine - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as emetine alkaloids. These are alkaloids with a structure characterized by the presence of both an isoquinoline and a benzoquinolizidine nuclei.

External Descriptors

Not available

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