Structure Information
Structure

Compound Identification

SMILES

CCN1C[C@]2(COC(=O)C3=CC=CC=C3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(C)=O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)C14

InChIKey

InChIKey=IPWQJEONCUFCOR-RNNMQTRDSA-N

Formula

C38H50N2O11

Mass

710.821

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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 - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid imide, n-substituted - Piperidine - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Carboxylic acid imide - Cyclic alcohol - Pyrrole - Pyrrolidine - Tertiary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - 1,2-diol - Tertiary amine - Carboxylic acid ester - Lactam - Tertiary aliphatic amine - Dialkyl ether - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Alcohol - 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

CHEBI:7657 : diterpenoid

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