Structure Information
Structure

Compound Identification

SMILES

[H][C@]12C(=O)OC[C@@]11[C@@]([H])(C[C@]3([H])C(C)=CC(=O)[C@@]([H])(O)[C@]23C)OC(=O)[C@]([H])(C)[C@]1([H])CC(O)=O

InChIKey

InChIKey=HEARPDWGNHOTSL-NBKKPOIJSA-N

Formula

C20H24O8

Mass

392.404

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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

Quassinoid - Naphthopyran - Naphthalene - Tricarboxylic acid or derivatives - Delta valerolactone - Delta_valerolactone - Cyclohexenone - Gamma butyrolactone - Oxane - Pyran - Tetrahydrofuran - Cyclic ketone - Carboxylic acid ester - Ketone - Lactone - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Organooxygen compound - 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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