Structure Information
Structure

Compound Identification

SMILES

CC(C)([C@@H]1CC[C@]2(C)[C@@H]3[C@H](OC(=O)C[C@@]13C)C=C1[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@@]21C)C(O)=O

InChIKey

InChIKey=YYUBABGZWWIQDU-BVVOELKMSA-N

Formula

C30H46O4

Mass

470.694

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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 - Naphthopyran - Naphthalene - Delta valerolactone - Delta_valerolactone - Pyran - Oxane - Dicarboxylic acid or derivatives - Lactone - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organooxygen compound - 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

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