Structure Information
Structure

Compound Identification

SMILES

C\C1=C/CC\C(C)=C\C2OC(=O)C(CN3CCC[C@H]3C(O)=O)[C@@H]2CC1

InChIKey

InChIKey=PTMPZOZMKYWVLH-ZWLIHDNESA-N

Formula

C20H29NO4

Mass

347.455

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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 - Proline or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Gamma butyrolactone - N-alkylpyrrolidine - Oxolane - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Lactone - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Amine - Organic oxide - Organooxygen compound - Organonitrogen 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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