Structure Information
Structure

Compound Identification

SMILES

CC1C2CC(=O)OC3C(OC(=O)C=C(C)C)C4C(C)=CC(=O)C(OC(C)=O)C4(C)C(C(=O)C1OC(C)=O)C23COC(C)=O

InChIKey

InChIKey=DWEYLBMYZYWWKZ-UHFFFAOYSA-N

Formula

C31H38O12

Mass

602.633

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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 - Pentacarboxylic acid or derivatives - Naphthopyran - Naphthalene - Delta valerolactone - Fatty acid ester - Cyclohexenone - Delta_valerolactone - Alpha-acyloxy ketone - Fatty acyl - Oxane - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Ketone - Carboxylic acid ester - Cyclic ketone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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