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

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

QUALITÀ & PUREZZA 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

Panoramica

Information

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

Specifiche

Sinonimi

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

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Proprietà del prodotto

ALogP

1.821

Conteggio HBD

1

Legame rotabile

4

Nomi e identificatori

Pubchem Sid

528772911

Sorrisi canonici

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

Isomeri SMILES

CC1=CC(=C(C(=O)O1)C(=O)CCC(C)C)O

PubChem CID

54695756

Peso molecolare

224.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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