Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1CC[C@H]2C(CN3CCN(CC=Cc4ccccc4)CC3)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12

InChIKey

InChIKey=WVGDXNVLHFQIGG-ROKULZLRSA-N

Formula

C28H38N2O3

Mass

450.623

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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

Cadinanolides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cadinanolide skeleton - Sesquiterpenoid - Styrene - N-alkylpiperazine - Oxepane - Benzenoid - Piperazine - Gamma butyrolactone - 1,4-diazinane - Monocyclic benzene moiety - Tetrahydrofuran - Tertiary aliphatic amine - Tertiary amine - Lactone - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cadinanolides. These are sesquiterpene lactones based on 2-dioxonaphtho[4a,4-b]furan.

External Descriptors

Not available

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