13849-90-6

Basic information

• Product Name: 3-Oxopomolic acid
• Synonyms: 3-Oxopomolic acid;3-Oxo-19alpha-hydroxyurs-12-en-28-oic acid;Pomonic acid
• CAS NO: 13849-90-6
• Molecular Formula: C30H46O4
• Molecular Weight: 470.68384
• Mol File: 13849-90-6.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-Oxopomolic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Oxopomolic acid(13849-90-6)
• EPA Substance Registry System: 3-Oxopomolic acid(13849-90-6)

Safety Data

• Hazardous Substances Data: 13849-90-6(Hazardous Substances Data)

Usage

General Description

3-Oxopomolic acid is a chemical compound belonging to the class of organic compounds known as ketocarboxylic acids. It is a derivative of the naturally occurring pomolic acid, which is found in fruits of several species within the Rosaceae family. 3-Oxopomolic acid is a yellow crystalline solid that is sparingly soluble in water and is relatively stable under normal conditions. It is used as an intermediate in the synthesis of various pharmaceuticals and organic compounds. Its chemical structure and properties make it a valuable compound in organic chemistry research and drug development.

Upstream product

• 13849-91-7 polnolic acid 

Downstream Products

• 14440-23-4 pomonic acid methyl ester 

Relevant articles and documents

Pentacylic triterpenes from Lavandula coronopifolia: structure related inhibitory activity on α-glucosidase

Ten pentacyclic triterpenes (1-10) were isolated from Lavandula coronopifolia. We evaluated their α-glucosidase inhibitory activity, and found that the aglycones, 1, 2, 3, 4, 7 and 10 showed superior IC50 values to the positive control. In order to explain the structural requirements for α-glucosidase inhibitory activity, eleven derivatives were prepared, including one new compound, 2-formyl-(A)1–19α-hydroxy-1-norursane-2, 12-dien-28-oic acid 10c. The results demonstrated that a free hydroxyl at ring-A and a free carboxylic group at position 28 are key structural features for the α-glucosidase inhibitory activity, also that an ursane skeleton is optimum for the activity. Additionally, enzyme kinetic analysis of pomolic acid 2, the most potent compound, revealed that it inhibited α-glucosidase in a mixed-type manner. The molecular docking simulation validated this type of inhibition and highlighted the role of the C-3 hydroxyl and C-28 carboxylic groups in interaction with the enzyme in silico.