Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1[C@H](CC[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3CC(=O)C[C@@H]2[C@@]13COC(=O)C1=CC=CC=C1)OCC1=CC=CC=C1

InChIKey

InChIKey=PKKNMOHHVFVWTD-YZOXWVTMSA-N

Formula

C33H38O6

Mass

530.661

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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

Quassinoid - Naphthopyran - Benzoate ester - Naphthalene - Benzoic acid or derivatives - Benzylether - Benzoyl - Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Carboxylic acid ester - Cyclic ketone - Ketone - Lactone - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - 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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