Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(=O)O[C@H]1[C@@H]2[C@H]3N4C[C@@]5(C)[C@H]6[C@@H]4C[C@@]22CC(=C)[C@@H]1[C@H](O)[C@H]2[C@@]36CCC5=O

InChIKey

InChIKey=LQWKDKOZXSGMGH-IVKRUUPLSA-N

Formula

C25H33NO4

Mass

411.542

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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 - Isoindolone - Azaspirodecane - Alkaloid or derivatives - Isoindole or derivatives - Isoindoline - Indolizidine - Indole or derivatives - Fatty acid ester - Azepane - Fatty acyl - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ketone - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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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