Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]3C[C@H]1[C@H](C)[C@H](O)[C@@H](C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChIKey

InChIKey=POUGEQYQLBGWLB-OASHSOORSA-N

Formula

C32H46O16

Mass

686.704

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