Structure Information
Structure

Compound Identification

SMILES

CC1CC(=O)C(O)C2(C)C3C4(O)OCC33C(CC12)OC(=O)C(OC(=O)C1=CC=CC=C1)C3C(C)C4O

InChIKey

InChIKey=ZTONFUHJTDQOHU-UHFFFAOYSA-N

Formula

C27H32O9

Mass

500.544

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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

C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Oxepane - Delta_valerolactone - Delta valerolactone - Benzenoid - Pyran - Oxane - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Tetrahydrofuran - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Lactone - Ketone - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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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