Structure Information
Structure

Compound Identification

SMILES

[H][C@]12C[C@@]3([H])C(=C)C[C@@]11C[C@@]4(O)N5C[C@]6(C)C[C@]([H])(O)[C@@]([H])(OC(C)=O)[C@@]2([C@]5([H])[C@@]1([H])C3=O)[C@@]46[H]

InChIKey

InChIKey=SMKLDHHGRDTUQJ-RXQMBHOVSA-N

Formula

C22H27NO5

Mass

385.46

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