Pogostone - ≥98% , CAS No.23800-56-8

CAS: 23800-56-8 Cat. No.: P414333 分子式: C₁₂H₁₆O₄ 分子量: 224.25 PubChem CID: 54695756

GRADE & PURITY ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

概要

Information

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

Specifications

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

製品の性質

• ALogP: 1.821
• HBD数: 1
• 回転可能な結合: 4

名前と識別子

• パブケム・シド: 504771379
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504771379
• カノニカル・スマイル: 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
• 異性体SMILES: CC1=CC(=C(C(=O)O1)C(=O)CCC(C)C)O
• PubChem CID: 54695756
• 分子量: 224.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro
• 感度: light sensitive
• 分子量: 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

参考文献

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]

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 23800-56-8, the molecular formula is C12H16O4, and the molecular weight is 224.25 g/mol. InChIKey AJFJTORMMHWKFW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.