Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C)C2C[C@H]3O[C@H](O)C[C@H]4C(C)C(=O)C(O)C([C@@]34C)[C@@]2(C)C1=O

InChIKey

InChIKey=ZXEXAUWPQPJYJZ-CRPYTBJPSA-N

Formula

C21H30O6

Mass

378.465

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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

Polycyclic triterpenoid - Triterpenoid - Quassinoid - Naphthopyran - Naphthalene - Cyclohexenone - Pyran - Oxane - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Hemiacetal - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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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