Structure Information
Structure

Compound Identification

SMILES

[H][C@@]12C[C@@]3([H])C(C)=C[C@H](O)[C@@H](O)[C@]3(C)C3[C@@]4(O)OC[C@@]13[C@@](O)([C@@H](O)C(=O)O2)C(=C)[C@H]4O

InChIKey

InChIKey=QPHFGJSVJHRLFM-OZRWYMOGSA-N

Formula

C20H26O9

Mass

410.419

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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

Polycyclic triterpenoid - Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Delta valerolactone - Delta_valerolactone - Oxepane - Oxane - Pyran - Cyclic alcohol - Tetrahydrofuran - Tertiary alcohol - Lactone - Hemiacetal - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Polyol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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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