Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)C1=CC=CC=C1)C(=O)O[C@@H]3C[C@H]1C(C)=C(OC(=O)C3=CC=CC=C3)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O

InChIKey

InChIKey=UROZKWCKXZUMMH-INHIZDTASA-N

Formula

C35H34O12

Mass

646.645

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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

Aromatic heteropolycyclic compounds

Substituents

Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Tetracarboxylic acid or derivatives - Benzoate ester - Naphthalene - Furopyran - Benzoic acid or derivatives - Benzoyl - Cyclohexenone - Beta-hydroxy acid - Delta_valerolactone - Oxepane - Delta valerolactone - Hydroxy acid - Monocyclic benzene moiety - Benzenoid - Oxane - Pyran - Methyl ester - Enol ester - Furan - Tetrahydrofuran - Cyclic alcohol - 1,2-diol - Carboxylic acid ester - Cyclic ketone - Secondary alcohol - Lactone - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic 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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