Structure Information
Structure

Compound Identification

SMILES

CCN1C[C@@]2(CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@]55OCO[C@@]5(C[C@@H]6OC)[C@H](C[C@H]23)[C@H]14)OC(=O)C1=CC=CC=C1NC(C)=O

InChIKey

InChIKey=PIUDCIPLFBTYSP-JGQCQXHMSA-N

Formula

C33H44N2O8

Mass

596.721

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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 - Benzoate ester - Quinolidine - Benzoic acid or derivatives - N-acetylarylamine - Anilide - Alkaloid or derivatives - Benzoyl - N-arylamide - Azepane - Monocyclic benzene moiety - Benzenoid - Piperidine - Acetamide - Vinylogous amide - Meta-dioxolane - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Azacycle - Carboxylic acid derivative - Oxacycle - Acetal - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - 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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