Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@@H]1CCCN1CC1[C@@H]2CCC(=C)C3CCC(=C)C3C2OC1=O

InChIKey

InChIKey=XXYMNUOJMDOHBS-GKHKXDQZSA-N

Formula

C20H27NO4

Mass

345.439

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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

Guaianolides and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Guaianolide-skeleton - Guaiane 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 guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.

External Descriptors

Not available

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