Structure Information
Structure

Compound Identification

SMILES

C[C@]12CN3[C@H]4C[C@@]56C7C[C@@H](C[C@H]5[C@@](C37)([C@@H]14)C(=O)CC2)C(=C)C6=O

InChIKey

InChIKey=MQQDCHYVXYEUIQ-DBKXRDQPSA-N

Formula

C20H23NO2

Mass

309.409

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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 - Azaspirodecane - Isoindolone - Quinolizidine - Indole or derivatives - Indolizidine - Isoindoline - Isoindole or derivatives - Alkaloid or derivatives - Azepane - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Ketone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - 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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