Structure Information
Structure

Compound Identification

SMILES

C[C@]12CN3C4[C@H]5C(O)[C@H]6C[C@@H]7C5(CC6=C)C[C@]3(O)[C@H]1C47CCC2

InChIKey

InChIKey=ZEHGKQGMRGFJOC-DUUFESMZSA-N

Formula

C20H27NO2

Mass

313.441

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Diterpenoids

Intermediate Tree Nodes

Villanovane, atisane, trachylobane or helvifulvane diterpenoids - Atisane diterpenoids

Direct Parent

Hetisine-type diterpenoid alkaloids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Hetisine-type diterpenoid alkaloid - Quinolizidine - Azaspirodecane - Alkaloid or derivatives - Isoindole or derivatives - Isoindoline - Indolizidine - Indole or derivatives - Azepane - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Cyclic alcohol - Secondary alcohol - Hemiaminal - Azacycle - Organoheterocyclic compound - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as hetisine-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hetisine skeleton, which is a heptacyclic compound with an additional N-C-6 bond as compared with the hetidine-type, and thus, is one of most complex entries in the atisane-class.

External Descriptors

Not available

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