Structure Information
Structure

Compound Identification

SMILES

CC1=C2C(O)C(=O)OC3CC4C(C)(C)C(=O)CCC4(C)C(CC1)C23C

InChIKey

InChIKey=OHDIWURERCBQIU-UHFFFAOYSA-N

Formula

C21H30O4

Mass

346.467

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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-20 quassinoid skeleton - Quassinoid - Naphthopyranone - Naphthopyran - Naphthalene - Delta valerolactone - Delta_valerolactone - Pyranone - Oxane - Pyran - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - 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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