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Structure Information
Structure

Compound Identification

SMILES

[I-].COC1=C(O)C(OC)=C2C(CC[C@@H]3C4=C2C(O)=C(OC)C=C4CC[N+]3(C)C)=C1

InChIKey

InChIKey=QMANBOTXYCQXPN-PFEQFJNWSA-N

Formula

C22H28INO5

Mass

513.372

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Homoaporphines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Homoaporphines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Homoaporphine - Tetrahydroisoquinoline - Anisole - Phenol ether - Phenol - Aralkylamine - Alkyl aryl ether - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Ether - Azacycle - Organoheterocyclic compound - Organic iodide salt - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as homoaporphines. These are alkaloids derived from phenethylisoquinoline precursors by direct intramolecular oxidative coupling. They incorporate a nucleus A and are always pentaoxygenated at C- 1, -2, - 10, - 11, and - 12. The nitrogen function in ring B is usually N-methylated, but it may also be secondary.

External Descriptors

Not available

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