Structure Information
Structure

Compound Identification

SMILES

CN1C(N)=C(C[C@H]2[C@@H]3CCC(=C)[C@@H]4CCC(=C)[C@@H]4[C@H]3OC2=O)C(=O)N(C)C1=O

InChIKey

InChIKey=AMCZTNQYEULFGZ-JBJRXJHCSA-N

Formula

C21H27N3O4

Mass

385.464

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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 - Aminopyrimidine - Pyrimidone - Gamma butyrolactone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Oxolane - Vinylogous amide - Urea - Amino acid or derivatives - Lactone - Lactam - Carboxylic acid ester - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - 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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