Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)C(=O)O[C@]12CC34[C@H]5C[C@@H]([C@H](O)[C@H]3[C@@]36CCC[C@@](C)(CN1C53)[C@@H]26)C(=C)[C@H]4O

InChIKey

InChIKey=CEWNTNUOVMMJKZ-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 - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Azaspirodecane - O-dimethoxybenzene - Dimethoxybenzene - Benzoate ester - Quinolizidine - Indole or derivatives - Indolizidine - Isoindoline - Isoindole or derivatives - Benzoic acid or derivatives - Alkaloid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Azepane - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - Benzenoid - N-alkylpyrrolidine - Cyclic alcohol - Pyrrolidine - Carboxylic acid ester - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - 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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