Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1[C@H]2[C@@]34CCC[C@]5(C)CN6[C@H]([C@@H]35)[C@@H](O)[C@]22[C@H](C[C@@H]1C(=C)[C@H]2O)[C@H]46

InChIKey

InChIKey=RINGSRWVMFQHRI-KWNVMNOISA-N

Formula

C22H29NO4

Mass

371.477

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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 - Azaspirodecane - Alkaloid or derivatives - Isoindole or derivatives - Isoindoline - Indolizidine - Indole or derivatives - Azepane - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - 1,2-aminoalcohol - 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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