Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@@H](O)[C@@]2(O)OC[C@]34[C@H]2[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2C[C@H]3OC(=O)[C@H](OC(=O)CN(C)C)[C@@H]14

InChIKey

InChIKey=CLTOSLWVIDHUCD-SMMGBBGPSA-N

Formula

C24H33NO9

Mass

479.526

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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 - Alpha-amino acid ester - Alpha-amino acid or derivatives - Naphthalene - Delta valerolactone - Delta_valerolactone - Oxepane - Cyclohexenone - Dicarboxylic acid or derivatives - Oxane - Pyran - Tetrahydrofuran - Cyclic alcohol - Tertiary amine - Hemiacetal - Ketone - Secondary alcohol - Cyclic ketone - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Polyol - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Organopnictogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - 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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