Structure Information
Structure

Compound Identification

SMILES

CC(=O)N1CCN(C[C@H]2[C@@H]3CC\C(C)=C\CC\C(C)=C\[C@H]3OC2=O)CC1

InChIKey

InChIKey=MBHDDUWLICMNCR-SLNIIKKASA-N

Formula

C21H32N2O3

Mass

360.498

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene lactones

Intermediate Tree Nodes

Sesquiterpene lactones

Direct Parent

Germacranolides and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Germacranolide - Germacrane sesquiterpenoid - Sesquiterpenoid - N-alkylpiperazine - 1,4-diazinane - Gamma butyrolactone - Piperazine - Oxolane - Tertiary carboxylic acid amide - Acetamide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety.

External Descriptors

Not available

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