Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCC1OC(CC[C@H]1O)[C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O

InChIKey

InChIKey=DKEKHIOBJJTNIY-NXXMGSFOSA-N

Formula

C35H64O7

Mass

596.89

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty alcohols

Intermediate Tree Nodes

Not available

Direct Parent

Annonaceous acetogenins

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Annonaceae acetogenin skeleton - Long chain fatty alcohol - C-glycosyl compound - Glycosyl compound - 2-furanone - Oxane - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Lactone - Polyol - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain.

External Descriptors

Not available

Previous Back Next