Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]1(O)C=C(C)C2=CC(=O)[C@@]34CO[C@]5(C)[C@@H](OC(=O)[C@H]35)[C@H](O)[C@@H]4[C@@]12C

InChIKey

InChIKey=LHUSSIYFBNCANU-HSVUOORVSA-N

Formula

C20H22O8

Mass

390.388

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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-18 quassinoid skeleton - Caprolactone - Furofuran - Cyclohexenone - Oxepane - Dicarboxylic acid or derivatives - Gamma butyrolactone - Cyclic alcohol - Methyl ester - Tertiary alcohol - Tetrahydrofuran - Lactone - Ketone - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - 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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