Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCCN4C=CN=C4)[C@H]3C=C12

InChIKey

InChIKey=XBYCLWZNSPFVFP-JFQNMGATSA-N

Formula

C21H31N3O2

Mass

357.498

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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 - Gamma butyrolactone - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Oxolane - Amino acid or derivatives - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Secondary aliphatic amine - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - 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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