GRADE & PURITY ≥97%

Synonyms

UNII-5G1514R22R | FT-0696047 | SCHEMBL678189 | Q27116235 | CHEBI:34707 | 5,7-Dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one | 5,7,4'-trihydroxyisoflavanone | 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-(4-hydroxyphenyl)- | 5,7-dihydroxy

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

UNII-5G1514R22R | FT-0696047 | SCHEMBL678189 | Q27116235 | CHEBI:34707 | 5, 7-Dihydroxy-3-(4-hydroxyphenyl)-2, 3-dihydro-4H-chromen-4-one | 5, 7, 4'-trihydroxyisoflavanone | 4H-1-Benzopyran-4-one, 2, 3-dihydro-5, 7-dihydroxy-3-(4-hydroxyphenyl)- | 5, 7-dihydroxy

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504764950
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764950
• Sonrisas canónicas: C1C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)O
• IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
• InChIKey: UQGVUYNHDKMLSE-UHFFFAOYSA-N
• INCHI: 1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,11,16-18H,7H2
• Isómeros SMILES: C1C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)O
• Peso molecular: 272.25
• Reaxy-Rn: 288824
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=288824&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Isoflavonoids
      • Subclass Isoflavans

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Isoflavonoids
• Subclass: Isoflavans
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoflavanones
• Alternative Parents: Isoflavanols Hydroxyisoflavonoids Chromones Aryl alkyl ketones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoflavanone - Isoflavanol - Hydroxyisoflavonoid - Chromone - 1-benzopyran - Benzopyran - Chromane - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoflavanones. These are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4.
• External Descriptors: hydroxyisoflavanone

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

Objetivos asociados (humanos)

PSMB5 Tclin Proteasome Macropain subunit MB1 (2451 Activities)

Discover Target: PSMB5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 194.13° C (Predicted)
• Peso molecular: 272.250 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 272.068 Da
• Monoisotopic Mass: 272.068 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 363.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1