Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@@H](O)[C@H](O)[C@@H]2[C@@]3(C)[C@H](O)[C@@H](O)CC(C)=C3C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23C

InChIKey

InChIKey=KHGBORGCCDJDRD-UTVYUYPLSA-N

Formula

C20H30O8

Mass

398.452

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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 - Polycyclic triterpenoid - Quassinoid - Naphthopyran - Naphthalene - Delta valerolactone - Delta_valerolactone - Oxane - Pyran - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - Organooxygen compound - Hydrocarbon derivative - 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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