Structure Information
Structure

Compound Identification

SMILES

CC1CCCN(CC2C3CCC4(C)C=CC(=O)C(C)=C4C3OC2=O)C1

InChIKey

InChIKey=DOKPHLDPKYIWJE-UHFFFAOYSA-N

Formula

C21H29NO3

Mass

343.467

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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

Aliphatic heteropolycyclic compounds

Substituents

Eudesmanolide - Sesquiterpenoid - Naphthofuran - Gamma butyrolactone - Piperidine - Tetrahydrofuran - Amino acid or derivatives - Carboxylic acid ester - Ketone - Lactone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic 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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