Structure Information
Structure

Compound Identification

SMILES

CCN1CC2(COC(=O)C3=CC=CC=C3N3C(=O)CC(C)C3=O)CCC(OC)C34C5CC6C(OC)C5C5(C[C@@H]6OC)OCOC5(C(OC)C23)C14

InChIKey

InChIKey=KOWWOODYPWDWOJ-JNTXFKBISA-N

Formula

C38H50N2O10

Mass

694.822

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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 - Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - Benzoate ester - Quinolidine - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Azepane - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Piperidine - Pyrrolidone - 2-pyrrolidone - Benzenoid - Dicarboximide - Carboxylic acid imide - Pyrrolidine - Pyrrole - Meta-dioxolane - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Ether - Azacycle - Monocarboxylic acid or derivatives - Dialkyl ether - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - 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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