Pogostone - 10mM in DMSO , CAS No.23800-56-8

CAS: 23800-56-8 Cat. No.: P422792 Formula: C₁₂H₁₆O₄ Molecular Weight: 224.25 PubChem CID: 54695756

GRADE & PURITY 10mM in DMSO

Synonyms

DTXSID001019967 | 2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(4-methyl-1-oxopentyl)- | 4-HYDROXY-6-METHYL-3-(4-METHYLPENTANOYL)PYRAN-2-ONE | AKOS028108224 | AKOS026745813 | CCG-266750 | MS-23260 | UNII-QG8U8GA5EP | 4-hydroxy-6-methyl-3-(4-methylpentanoyl)-2-pyr

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Pogostone is one of the secondary metabolites from Pogostemon cablin (Blanco) Benth. (Lamiaceae), serving as the effective component of the antimicrobial activity.

Specifications

Synonyms

DTXSID001019967 | 2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(4-methyl-1-oxopentyl)- | 4-HYDROXY-6-METHYL-3-(4-METHYLPENTANOYL)PYRAN-2-ONE | AKOS028108224 | AKOS026745813 | CCG-266750 | MS-23260 | UNII-QG8U8GA5EP | 4-hydroxy-6-methyl-3-(4-methylpentanoyl)-2-pyr

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Pogostone is one of the secondary metabolites from Pogostemon cablin (Blanco) Benth. (Lamiaceae), serving as the effective component of the antimicrobial activity.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

• ALogP: 1.821
• HBD Count: 1
• Rotatable Bond: 4

Names and Identifiers

• Pubchem Sid: 528772911
• Canonical Smiles: CC1=CC(=C(C(=O)O1)C(=O)CCC(C)C)O
• IUPAC Name: 4-hydroxy-6-methyl-3-(4-methylpentanoyl)pyran-2-one
• InChIKey: AJFJTORMMHWKFW-UHFFFAOYSA-N
• INCHI: 1S/C12H16O4/c1-7(2)4-5-9(13)11-10(14)6-8(3)16-12(11)15/h6-7,14H,4-5H2,1-3H3
• Isomeric SMILES: CC1=CC(=C(C(=O)O1)C(=O)CCC(C)C)O
• PubChem CID: 54695756
• Molecular Weight: 224.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Pyranones and derivatives Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Pyranone - Pyran - Heteroaromatic compound - Vinylogous acid - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 224.250 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 224.105 Da
• Monoisotopic Mass: 224.105 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 374.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Xiuwen Zheng, Qianrong Xue, Yinghuan Wang, Lu Lu, Yipeng Pan, Jian Xu, Junqing Zhang.  (2024)  A. officinarum Hance – P. cablin (Blanco) Benth drug pair improves oxidative stress, intracellular Ca2+ concentrations and apoptosis by inhibiting the AGE/RAGE axis to ameliorate diabetic gastroparesis: In vitro and in vivo studies.  JOURNAL OF ETHNOPHARMACOLOGY,      [PMID:38280660] [10.1016/j.jep.2024.117832]

2. You Huang, Pei Wang, Pengyu Zhao, Weijian Cheng, Hao Fu, Xiao Zheng, Lin Chen, Wenyi Huang, Jiajia Xu, Chaomei Fu, Zhen Zhang, Xiao Wang.  (2024)  ROS/Thermo dual-sensitive hydrogel loaded with a nanoemulsion of patchouli essential oil for ulcerative colitis.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39401642] [10.1016/j.ijbiomac.2024.136542]

3. You Huang, Pengyu Zhao, Xing Zhang, Hao Fu, Chaomei Fu.  (2024)  Uncovering the pharmacological mechanisms of Patchouli essential oil for treating ulcerative colitis.  JOURNAL OF ETHNOPHARMACOLOGY,      [PMID:39182705] [10.1016/j.jep.2024.118737]

4. Huiping Gu, Xingyu Ren, Yuxuan Cao, Jinli Li, Xili Liu, Zhiqing Ma, Juntao Feng, Yong Wang.  (2025)  Antifungal Properties and Mechanism of Pogostone Against Postharvest Colletotrichum gloeosporioides Infection in Mango.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41339253] [10.1021/acs.jafc.5c09564]