Structure Information
Structure

Compound Identification

SMILES

CC12OC1CC1C2C2OC(=O)C(CN3CCN(CC3)C(=O)C3=CC=CC=C3)C2CCC1=C

InChIKey

InChIKey=AQKVTOZBUQIDGD-UHFFFAOYSA-N

Formula

C26H32N2O4

Mass

436.552

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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

Aromatic heteropolycyclic compounds

Substituents

Guaianolide-skeleton - Guaiane sesquiterpenoid - Sesquiterpenoid - Benzamide - Benzoic acid or derivatives - Benzoyl - N-alkylpiperazine - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - 1,4-diazinane - Oxane - Piperazine - Tertiary carboxylic acid amide - Oxolane - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Carboxamide group - Lactone - Tertiary amine - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Carbonyl group - Aromatic 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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