Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]4[C@]33CO[C@]4([C@@H](O)[C@H](O)[C@@H]3[C@@]2(C)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O)C(O)=O

InChIKey

InChIKey=CXVWQUMYRFPSCJ-SJULGOEYSA-N

Formula

C31H40O16

Mass

668.645

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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 - Naphthopyranone glycoside - C-20 quassinoid skeleton - Quassinoid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Naphthopyranone - Naphthopyran - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Naphthalene - Furopyran - Tricarboxylic acid or derivatives - Delta_valerolactone - Fatty acid ester - Cyclohexenone - Beta-hydroxy acid - Pyranone - Delta valerolactone - Oxepane - Hydroxy acid - Fatty acyl - Monosaccharide - Pyran - Oxane - Furan - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Cyclic ketone - Lactone - Secondary alcohol - Carboxylic acid ester - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Polyol - Dialkyl ether - Ether - Acetal - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - Organic oxide - Alcohol - Organic oxygen compound - 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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