Structure Information
Structure

Compound Identification

SMILES

CCN1CC2(COC)C3C(OC)C4[C@@H]1C3(C1CC3(O)C(OC(=O)C5=CC=C(OC)C=C5)C1C4(OC(C)=O)[C@@H](O)[C@H]3OC)C(CC2O)OC

InChIKey

InChIKey=MGTJNQWIXFSPLC-JYVHZSNQSA-N

Formula

C35H49NO12

Mass

675.772

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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

Not available

Direct Parent

Aconitane-type diterpenoid alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aconitane-type diterpenoid alkaloid - P-methoxybenzoic acid or derivatives - Benzoate ester - Quinolidine - Benzoic acid or derivatives - Alkaloid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Azepane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Piperidine - Tertiary alcohol - Cyclic alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid ester - Polyol - Ether - Azacycle - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.

External Descriptors

Not available

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