Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@H]1[C@@H]2[C@@]34C[C@H]5[C@@H]6[C@]7(C)CN5[C@H]([C@@H]3[C@H](O)[C@H]1C(=C)C4)[C@@]26[C@H](OC(C)=O)[C@H](C7)OC(=O)C1=CC=CC=C1

InChIKey

InChIKey=MXDMNWAHROTMFX-FOVFCKTKSA-N

Formula

C31H35NO7

Mass

533.621

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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 - Azaspirodecane - Benzoate ester - Quinolizidine - Benzoic acid or derivatives - Indole or derivatives - Alkaloid or derivatives - Indolizidine - Isoindoline - Isoindole or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Azepane - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Cyclic alcohol - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen 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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