Structure Information
Structure

Compound Identification

SMILES

CC\C(C)=C\C(=O)O[C@@H]1[C@@H]2[C@@]34CO[C@@]2([C@@H](O)[C@H](O)C3[C@@]2(C)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)[C@@H](C)[C@@H]2C[C@H]4OC1=O)C(=O)OC

InChIKey

InChIKey=SVLMUIWHTIHSPF-PYYDCYJCSA-N

Formula

C33H44O16

Mass

696.699

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