You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on ClassyFire.
Structure Information
Structure

Compound Identification

SMILES

CC1=CCC2C3(C)C=CC(=O)C(C)(C)C3CC3OC(=O)C=C1C23C

InChIKey

InChIKey=BBTIMCOIBFCQJN-UHFFFAOYSA-N

Formula

C21H26O3

Mass

326.436

Export to:

JSON SDF CSV

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

C-20 quassinoid skeleton - Quassinoid - Naphthopyranone - Naphthopyran - Naphthalene - Dihydropyranone - Cyclohexenone - Pyranone - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Ketone - Carboxylic acid ester - Cyclic ketone - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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

Previous Back Next