Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C=C3C(C)(CC(O)C2C13C)C1OC(=O)CC1CO

InChIKey

InChIKey=YFMDXVXBTWWJRE-UHFFFAOYSA-N

Formula

C25H32O8

Mass

460.523

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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 - Naphthopyran - Naphthalene - Dihydropyranone - Cyclohexenone - Dicarboxylic acid or derivatives - Gamma butyrolactone - Pyran - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Lactone - Ketone - Carboxylic acid ester - Cyclic ketone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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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