Structure Information
Structure

Compound Identification

SMILES

[H]C12CC3([H])C(=C)CC11CC4(O)N5CC6(C)CCCC(C25[H])(C1([H])C3([H])OC(C)=O)C46[H]

InChIKey

InChIKey=DWUXLTHMRXTVCJ-UHFFFAOYSA-N

Formula

C22H29NO3

Mass

355.478

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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 - Alkaloid or derivatives - Indolizidine - Isoindoline - Isoindole or derivatives - Azepane - N-alkylpyrrolidine - Piperidine - Cyclic alcohol - Pyrrolidine - Carboxylic acid ester - Hemiaminal - Alkanolamine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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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