Structure Information
Structure

Compound Identification

SMILES

C[C@@]12CN3C4[C@@H]5C[C@H]6[C@H](OC(=O)\C=C\C7=CC=CC=C7)[C@H]7[C@]4(CCC1)[C@@H]2[C@@]3(O)CC57[C@H](O)C6=C

InChIKey

InChIKey=RJZQOUOLLUXGKS-ORQGVBFASA-N

Formula

C29H33NO4

Mass

459.586

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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 - Cinnamic acid or derivatives - Cinnamic acid ester - Azaspirodecane - Quinolizidine - Indole or derivatives - Indolizidine - Alkaloid or derivatives - Isoindoline - Isoindole or derivatives - Styrene - Azepane - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Piperidine - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Secondary alcohol - Hemiaminal - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Alkanolamine - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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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