Structure Information
Structure

Compound Identification

SMILES

[H][C@]12N3C[C@]4(C)C[C@]([H])(O)C[C@]11[C@]5([H])C[C@@]6([H])C(=C)C[C@]5(C[C@@]3(O)[C@]41[H])[C@]2([H])[C@@]6([H])O

InChIKey

InChIKey=KXIKXHXMNJBYBP-IZUOMIDXSA-N

Formula

C20H27NO3

Mass

329.44

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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 - Quinolizidine - Indole or derivatives - Indolizidine - Isoindoline - Alkaloid or derivatives - Isoindole or derivatives - Azepane - Piperidine - N-alkylpyrrolidine - Pyrrolidine - Cyclic alcohol - Hemiaminal - Secondary alcohol - Polyol - Organoheterocyclic compound - Azacycle - Alkanolamine - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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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