Structure Information
Structure

Compound Identification

SMILES

COC(=O)C12OCC34C1C(OC(=O)C1=CC=CC=C1)C(=O)OC3CC1=C(C)C(=O)C(O)=CC1(C)C4C(O)C2O

InChIKey

InChIKey=XFGZLTBOPDPUJU-UHFFFAOYSA-N

Formula

C28H28O11

Mass

540.521

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

Aromatic heteropolycyclic compounds

Substituents

Quassinoid - Naphthopyranone - Naphthopyran - Naphthalene - Benzoate ester - Benzoic acid or derivatives - Furopyran - Tricarboxylic acid or derivatives - Benzoyl - Delta valerolactone - Beta-hydroxy acid - Pyranone - Oxepane - Delta_valerolactone - Monocyclic benzene moiety - Pyran - Oxane - Hydroxy acid - Benzenoid - Tetrahydrofuran - Furan - Methyl ester - Cyclic alcohol - 1,2-diol - Carboxylic acid ester - Cyclic ketone - Secondary alcohol - Lactone - Ketone - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Enol - Ether - Polyol - Organic oxygen compound - Alcohol - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic 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