Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=O)C2(C)C3C(O)C4OC(=O)C5C4(C)OCC35C(=O)C=C12

InChIKey

InChIKey=BHRGGWSNTHQGED-UHFFFAOYSA-N

Formula

C18H18O6

Mass

330.336

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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

C-18 quassinoid skeleton - Caprolactone - Furofuran - Cyclohexenone - Oxepane - Gamma butyrolactone - Cyclic alcohol - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Ketone - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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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