Structure Information
Structure

Compound Identification

SMILES

COC(=O)C12OCC34C1C(OC(=O)C=C(C)C(C)C)C(=O)OC3CC1C(C)=C(OC)C(=O)CC1(C)C4C(O)C2O

InChIKey

InChIKey=WMIPTQPCFLUGBL-UHFFFAOYSA-N

Formula

C29H38O11

Mass

562.612

Export to:

JSON SDF CSV

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 - Furopyran - Tricarboxylic acid or derivatives - Delta_valerolactone - Beta-hydroxy acid - Cyclohexenone - Fatty acid ester - Oxepane - Delta valerolactone - Pyran - Oxane - Hydroxy acid - Fatty acyl - Tetrahydrofuran - Cyclic alcohol - Furan - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Ketone - 1,2-diol - Cyclic ketone - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic oxide - Carbonyl group - Organooxygen 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

Previous Back Next