Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@@]22[C@H]3[C@@]3(C)[C@H](O)C(=O)C=C(C)[C@@H]3C[C@H]2OC1=O

InChIKey

InChIKey=GCIFFNDSOLTCAI-FPUKFSPFSA-N

Formula

C25H34O9

Mass

478.538

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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 - Polycyclic triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Oxepane - Cyclohexenone - Fatty acyl - Dicarboxylic acid or derivatives - Oxane - Pyran - Tetrahydrofuran - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Cyclic ketone - Hemiacetal - Lactone - Ketone - Polyol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Alcohol - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - 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

CHEBI:2521 : triterpenoid
KEGG (C08746) : Dammarenes

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