Structure Information
Structure

Compound Identification

SMILES

CC1=C(Cl)C(=O)[C@@]2(C)[C@H]3[C@@H](O)[C@@H]4OC(=O)[C@@H]5[C@@]4(C)OC[C@@]35C(=O)C=C12

InChIKey

InChIKey=XWZRMHYASRAXNP-LDIGSIOESA-N

Formula

C18H17ClO6

Mass

364.78

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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 - Furofuran - Caprolactone - Cyclohexenone - Oxepane - Gamma butyrolactone - Alpha-haloketone - Alpha-chloroketone - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen 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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