Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(=O)OC1C2C(=C)C(O)C3(O)OCC22C3C3(C)C(CC2OC1=O)C(C)=CC(=O)C3OC

InChIKey

InChIKey=CAAOPESQOADYQF-UHFFFAOYSA-N

Formula

C26H34O9

Mass

490.549

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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

Not available

Direct Parent

Quassinoids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Delta valerolactone - Fatty acid ester - Cyclohexenone - Delta_valerolactone - Oxepane - Dicarboxylic acid or derivatives - Fatty acyl - Oxane - Pyran - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Carboxylic acid ester - Lactone - Hemiacetal - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Organic oxygen compound - Organooxygen compound - Carbonyl group - Alcohol - Organic oxide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as quassinoids. These are a group of compounds chemically degraded from triterpenes. According to their basic skeleton, quassinoids are categorized into five distinct groups, C-18, C-19, C-20, C-22 and C-25 types. The C-20 quassinoids can be further classified into two types, tetracyclic and the pentacyclic. The tetracyclic variety does not have oxygenation at C-20, while the pentacyclic quassinoids possess additional oxygenation at C-20 that allows for the formation of an additional ring.

External Descriptors

Not available

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