Structure Information
Structure

Compound Identification

SMILES

CC1CCCC2(C)CC3OC(=O)C(CNCC4=CC=NC=C4)C3C=C12

InChIKey

InChIKey=AXMXPBSJTYIHAZ-UHFFFAOYSA-N

Formula

C21H28N2O2

Mass

340.467

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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

Eudesmanolides, secoeudesmanolides, and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Eudesmanolide - Sesquiterpenoid - Naphthofuran - Aralkylamine - Gamma butyrolactone - Pyridine - Oxolane - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Lactone - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton.

External Descriptors

Not available

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