Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1C[C@@](C)([C@H]2OC(=O)C[C@@H]2CO)C2=CC(=O)O[C@@H]3C[C@H]4[C@](C)(O)C=CC(=O)[C@]4(C)[C@@H]1[C@]23C

InChIKey

InChIKey=AROURRYSXPKSSD-PYUGWHIMSA-N

Formula

C27H34O9

Mass

502.56

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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

Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Tricarboxylic acid or derivatives - Dihydropyranone - Cyclohexenone - Gamma butyrolactone - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Tetrahydrofuran - Lactone - Ketone - Carboxylic acid ester - 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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