Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C=C(C=C1)N1CC[NH+](C[C@H]2[C@H]3C[C@@H]4[C@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1

InChIKey

InChIKey=SIYYOCXGINPJHS-PGWRCXFVSA-O

Formula

C27H39N2O3

Mass

439.619

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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 - Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - O-xylene - Dialkylarylamine - Aniline or substituted anilines - Xylene - N-alkylpiperazine - Benzenoid - Piperazine - Gamma butyrolactone - Monocyclic benzene moiety - 1,4-diazinane - Oxolane - Quaternary ammonium salt - Lactone - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic cation - 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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