Structure Information
Structure

Compound Identification

SMILES

Br.CCN1C[C@@]2(CCC(OC)C34C5C[C@H]6C(OC)[C@]5(O)[C@](O)(C[C@@H]6OC)C(C[C@H]23)[C@@H]14)OC(=O)C1=CC=CC=C1NC(C)=O

InChIKey

InChIKey=CFFYROOPXPKMEQ-XVFCRJSRSA-N

Formula

C32H45BrN2O8

Mass

665.622

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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

Lappaconitine-type diterpenoid alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Lappaconitine-type diterpenoid alkaloid - Acylaminobenzoic acid or derivatives - Acetanilide - Quinolidine - Benzoate ester - Anilide - Alkaloid or derivatives - N-acetylarylamine - Benzoic acid or derivatives - N-arylamide - Benzoyl - Azepane - Piperidine - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Acetamide - Cyclic alcohol - Vinylogous amide - 1,2-diol - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Ether - Dialkyl ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrobromide - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as lappaconitine-type diterpenoid alkaloids. These are c18-bisnorditerpenoid alkaloids with a structure based on the heptacyclic lappaconitine skeleton. Lappaconitine similar to aconitane, with the difference that the former lacks a carbon atom at the 18-position.

External Descriptors

Not available

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