Structure Information
Structure

Compound Identification

SMILES

[H]\C(C(=O)O[C@@]1([H])C(=O)O[C@]2([H])C[C@]3([H])[C@]([H])(C)C=C(O[C@@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@@]([H])(O)[C@@]4([H])O)C(=O)[C@]3(C)[C@]3([H])[C@@]([H])(O)[C@]([H])(O)[C@]4(OC[C@@]23[C@@]14[H])C(=O)OC)=C(\C)C(C)C

InChIKey

InChIKey=YSFALLIAQRJCQF-OQLLNHDXSA-N

Formula

C34H46O16

Mass

710.726

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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 - Delta_valerolactone - Beta-hydroxy acid - Oxepane - Fatty acid ester - Cyclohexenone - Delta valerolactone - Fatty acyl - Oxane - Hydroxy acid - Monosaccharide - Pyran - Furan - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Lactone - Ketone - Polyol - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Oxacycle - Organic oxide - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Alcohol - Carbonyl group - Organooxygen 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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