2'-Hydroxyflavanone - ≥98%(HPLC) , CAS No.17348-76-4

CAS: 17348-76-4 Cat. No.: H157358 Fórmula: C₁₅H₁₂O₃ Peso molecular: 240.26 Beilstein Registry Number: 18(3/4)636

GRADE & PURITY ≥98%(HPLC)

Synonyms

2''-Hydroxyflavanone | 2''-hydroxy-flavanone | 2'-Hydroxyflavanone | 2'-Hydroxy-Flavanone | 2-(2-Hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one | 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(2-hydroxyphenyl)- | H1024 | NSC814528 | NSC-814528 | T71923 | 2-(2-hy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2''-Hydroxyflavanone | 2''-hydroxy-flavanone | 2'-Hydroxyflavanone | 2'-Hydroxy-Flavanone | 2-(2-Hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one | 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(2-hydroxyphenyl)- | H1024 | NSC814528 | NSC-814528 | T71923 | 2-(2-hy

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 488188501
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188501
• Sorrisos canónicos: C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3O
• IUPAC Name: 2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one
• InChIKey: KZKWCKFDCPVDFJ-UHFFFAOYSA-N
• INCHI: 1S/C15H12O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15-16H,9H2
• SMILES isoméricas: C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3O
• WGK Alemanha: 3
• Peso molecular: 240.26
• Beilstein: 18(3/4)636
• Reaxy-Rn: 224043
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=224043&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: Chromones Aryl alkyl ketones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavanone - Chromone - Chromane - Benzopyran - 1-benzopyran - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: 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: 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

Alvos associados (humanos)

AKR1C3 Tchem Aldo-keto reductase family 1 member C3 (2 Activities)

Discover Target: AKR1C3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AR Tclin Androgen Receptor (11781 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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HSD17B1 Tchem Estradiol 17-beta-dehydrogenase 1 (2224 Activities)

Discover Target: HSD17B1

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HSD17B2 Tchem Estradiol 17-beta-dehydrogenase 2 (1671 Activities)

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DU-145 (51482 Activities)

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PC-3 (62116 Activities)

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HEK293 (82097 Activities)

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LNCaP (8286 Activities)

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HeLa (62764 Activities)

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AKR1C3 Tchem Aldo-keto-reductase family 1 member C3 (1414 Activities)

Discover Target: AKR1C3

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AKR1B10 Tchem Aldo-keto reductase family 1 member B10 (300 Activities)

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Alvos associados (não humanos)

Hsd11b1 11-beta-hydroxysteroid dehydrogenase 1 (202 Activities)

Discover Target: Hsd11b1

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Enterococcus faecalis (29875 Activities)

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J774.A1 (2436 Activities)

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RAW264.7 (28094 Activities)

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Adora2b Adenosine A2 receptor (1828 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 166 °C
• Peso molecular: 240.250 g/mol
• XLogP3: 2.500
• 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: 315.000
• 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

Referências

1. Zhen Zhang, Yue Wang, Shuai Lv, Hailin Cong, Youqing Shen, Bing Yu.  (2024)  Isocyanate-chitin modified microspheres for chiral drug separation in high performance liquid chromatography.  JOURNAL OF APPLIED POLYMER SCIENCE,  141  (27): (e55594).  [PMID:] [10.1002/app.55594]

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

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

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

The CAS Number is 17348-76-4, the molecular formula is C15H12O3, and the molecular weight is 240.26 g/mol. InChIKey KZKWCKFDCPVDFJ-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.