Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3C4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)[C@H](OC1OC(CO)C(O)C(O)C1O)[C@H]3[C@@H](CO)[C@H]4O

InChIKey

InChIKey=SYVOZHUKDPLDTP-TWHXCYLBSA-N

Formula

C26H36O14

Mass

572.56

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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

Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Naphthopyran - Long chain fatty alcohol - Fatty alcohol ester - Alkyl glycoside - Naphthalene - Fatty alcohol - Cyclohexenone - Oxepane - Delta_valerolactone - Fatty acid ester - Delta valerolactone - Fatty acyl - Pyran - Oxane - Monosaccharide - Hemiketal - Acyloin - Alpha,beta-unsaturated ketone - Tetrahydrofuran - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - Cyclic ketone - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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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