GRADE & PURITY ≥98%

Synonyms

AC-34390 | HY-N2446 | Kakuol | 1-(6-Hydroxy-1,3-benzodioxol-5-yl)-1-propanone # | FT-0775497 | 1-(6-HYDROXY-2H-1,3-BENZODIOXOL-5-YL)PROPAN-1-ONE | 1-Propanone,1-(6-hydroxy-1,3-benzodioxol-5-yl)- | MFCD24717047 | 1-(6-hydroxybenzo[d][1,3]dioxol-5-yl)propan

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Kakuol Kakuol is a natural compound extracted from the rhizomes of Asarum sieboldii with antifungal activity.

Specifications

Sinónimos

AC-34390 | HY-N2446 | Kakuol | 1-(6-Hydroxy-1, 3-benzodioxol-5-yl)-1-propanone # | FT-0775497 | 1-(6-HYDROXY-2H-1, 3-BENZODIOXOL-5-YL)PROPAN-1-ONE | 1-Propanone, 1-(6-hydroxy-1, 3-benzodioxol-5-yl)- | MFCD24717047 | 1-(6-hydroxybenzo[d][1, 3]dioxol-5-yl)propan

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Kakuol is a natural compound extracted from the rhizomes of Asarum sieboldii with antifungal activity.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCC(=O)C1=CC2=C(C=C1O)OCO2
• IUPAC Name: 1-(6-hydroxy-1,3-benzodioxol-5-yl)propan-1-one
• InChIKey: SLLMHZXMVHNZOR-UHFFFAOYSA-N
• INCHI: 1S/C10H10O4/c1-2-7(11)6-3-9-10(4-8(6)12)14-5-13-9/h3-4,12H,2,5H2,1H3
• Isómeros SMILES: CCC(=O)C1=CC2=C(C=C1O)OCO2
• Peso molecular: 194.18
• Reaxy-Rn: 1344132
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1344132&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Vinylogous acid - Ketone - Oxacycle - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• External Descriptors: benzodioxoles

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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro Ethanol: mg/mL
• Sensibilidad: Light sensitive
• Peso molecular: 194.180 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 194.058 Da
• Monoisotopic Mass: 194.058 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 228.000
• 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