Structure Information
Structure

Compound Identification

SMILES

C[C@@]12O[C@@H]1C[C@@H]1[C@H]2[C@H]2OC(=O)C(CNCC3=CC=CC=C3)[C@@H]2CCC1=C

InChIKey

InChIKey=JIMCXDMFYCGMDW-WNGFKORZSA-N

Formula

C22H27NO3

Mass

353.462

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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 - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Oxane - Oxolane - Amino acid or derivatives - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Carbonyl group - Amine - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - 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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