Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)C(=O)O[C@@H]1[C@H]2[C@@]34CCC[C@@]5(C)CN6C3[C@@H]3C[C@@H]1C(=C)[C@@H](O)C23C[C@]6(O)[C@@H]45

InChIKey

InChIKey=GKGJETBMSMLTIX-QLRGOLNFSA-N

Formula

C29H35NO6

Mass

493.6

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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

Aromatic heteropolycyclic compounds

Substituents

Hetisine-type diterpenoid alkaloid - P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Quinolizidine - Azaspirodecane - Benzoate ester - Dimethoxybenzene - O-dimethoxybenzene - Isoindole or derivatives - Isoindoline - Indolizidine - Indole or derivatives - Benzoic acid or derivatives - Alkaloid or derivatives - Phenol ether - Benzoyl - Phenoxy compound - Anisole - Methoxybenzene - Azepane - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Hemiaminal - Alkanolamine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organopnictogen compound - Aromatic 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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