Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@@H](O)[C@]2(O)OC[C@@]34[C@@H](C[C@](C)([C@H]5OC(=O)C=C5C)[C@@H]23)OC(=O)[C@H](O)[C@@H]14

InChIKey

InChIKey=IRGXOUHTTCDCTK-ZTJWCXPSSA-N

Formula

C19H24O8

Mass

380.393

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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 - Delta valerolactone - Delta_valerolactone - Oxepane - 2-furanone - Dicarboxylic acid or derivatives - Oxane - Cyclic alcohol - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Lactone - Hemiacetal - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Polyol - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - 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

Not available

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