Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@@H](O)C2=C3[C@H](C[C@H]4OC(=O)[C@H](O)[C@@H]1[C@@]34CO)[C@@H]1OC(=O)C[C@]1(C)O2

InChIKey

InChIKey=JTCXAZKJTVFSAJ-LQUIAYQWSA-N

Formula

C18H22O8

Mass

366.366

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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

Quassinoid - Furopyran - Delta valerolactone - Delta_valerolactone - Dicarboxylic acid or derivatives - Gamma butyrolactone - Pyran - Oxane - Furan - Oxolane - Carboxylic acid ester - Secondary alcohol - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Organooxygen compound - Primary alcohol - 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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