Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C)C2CC3OC(CC4C(C)(OC(C)=O)C5OCOC5C(C34C)C2(C)C1=O)OC1OC(CO)C(O)C(O)C1O

InChIKey

InChIKey=NLABKWWGROHMBZ-UHFFFAOYSA-N

Formula

C30H44O13

Mass

612.669

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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

Quassinoid - Naphthopyran - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Naphthalene - Cyclohexenone - Monosaccharide - Oxane - Pyran - Meta-dioxolane - Secondary alcohol - Carboxylic acid ester - Ketone - Polyol - Oxacycle - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Primary alcohol - 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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