6-Hydroxyflavanone - ≥97% , CAS No.4250-77-5

CAS: 4250-77-5 Cat. No.: H157359 Formule: C₁₅H₁₂O₃ Poids moléculaire: 240.26 Beilstein Registry Number: 18(3/4)632 Numéro CE: 624-472-8

QUALITÉ & PURETÉ ≥97%

Synonyms

A872871 | 6-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one | IDI1_011957 | Maybridge3_000570 | DTXSID1022429 | InChI=1/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2 | 6-Hydroxyflavanone | 6-Hydroxy-Flavanone | AKOS015

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Description du produit :

la 6-hydroxyflavanone est un flavonoïde dont la biotransformation par les souches d'Aspergillus niger a été décrite. La structure cristalline des énantiomères S et R de la 6-hydroxyflavanone présente quatre sites cristallographiques de la cellule unitaire dans un rapport approximatif de 3:1/1:3. Elle a été identifiée comme un métabolite de la flavnone lors de l'incubation avec des microsomes de foie de rat par une analyse LC/MS à électrospray d'ions positifs.

Application du produit：

la 6-Hydroxyflavanone (6-HF) a été utilisée pour la séparation énantiomérique des flavonoïdes à l'aide de phases stationnaires chirales à base de polysaccharides par chromatographie nano-liquide (nano-LC). Le 6-HF racémique peut être utilisé dans la synthèse de la 6-propionoxy-flavanone (6-PF). le 6-HF peut être utilisé comme flavone synthétique pour étudier le mécanisme des effets cytotoxiques et apoptotiques induits par le ligand induisant l'apoptose lié au facteur de nécrose tumorale (TRAIL) dans les cellules cancéreuses HeLa.

Spécifications

Synonymes

A872871 | 6-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one | IDI1_011957 | Maybridge3_000570 | DTXSID1022429 | InChI=1/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2 | 6-Hydroxyflavanone | 6-Hydroxy-Flavanone | AKOS015

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Type d'action

INHIBITOR

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488192608

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192608

Sourires canoniques

C1C(OC2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3

IUPAC Name

6-hydroxy-2-phenyl-2,3-dihydrochromen-4-one

InChIKey

XYHWPQUEOOBIOW-UHFFFAOYSA-N

INCHI

1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2

Isomères SMILES

C1C(OC2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3

WGK Allemagne

3

Poids moléculaire

240.26

Beilstein

18(3/4)632

Reaxy-Rn

87354

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=87354&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass Flavans

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavans
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavanones
• Alternative Parents: 6-hydroxyflavonoids Chromones Aryl alkyl ketones Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-hydroxyflavonoid - Hydroxyflavonoid - Flavanone - Chromone - Chromane - Benzopyran - 1-benzopyran - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as flavanones. These are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.
• External Descriptors: monohydroxyflavanone

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

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Discover Target: HSD17B2

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HEK293 (82097 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 219-222°C
• Poids moléculaire: 240.250 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 240.079 Da
• Monoisotopic Mass: 240.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 309.000
• 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

Foire aux questions

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 4250-77-5, the molecular formula is C15H12O3, and the molecular weight is 240.26 g/mol. InChIKey XYHWPQUEOOBIOW-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.