3'-Hydroxyflavanone - ≥98% , CAS No.92496-65-6

CAS: 92496-65-6 Cat. No.: H157178 分子式: C₁₅H₁₂O₃ 分子量: 240.26

グレード＆純度 ≥98%

Synonyms

2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one | 2-(3-hydroxyphenyl)chroman-4-one | 3'-hydroxy flavanone | 3''''-Hydroxyflavanone | 3''-HYDROXYFLAVANONE | 3'-Hydroxyflavanone | 3-hydroxyflavanone | 3'-Hydroxyflavanone, (+/-)- | 2-(3-hydroxyphenyl)-2,3-dihyd

Storage

Room temperature,Argon charged

Shipped In

Normal

仕様

同義語

2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one | 2-(3-hydroxyphenyl)chroman-4-one | 3'-hydroxy flavanone | 3''''-Hydroxyflavanone | 3''-HYDROXYFLAVANONE | 3'-Hydroxyflavanone | 3-hydroxyflavanone | 3'-Hydroxyflavanone, (+/-)- | 2-(3-hydroxyphenyl)-2,3-dihyd

仕様と純度

≥98%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥98%

Product Line

H157178-200mg

名前と識別子

パブケム・シド

528757783

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528757783

カノニカル・スマイル

C1C(OC2=CC=CC=C2C1=O)C3=CC(=CC=C3)O

IUPAC Name

2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one

InChIKey

JVSPTYZZNUXJHN-UHFFFAOYSA-N

INCHI

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

異性体SMILES

C1C(OC2=CC=CC=C2C1=O)C3=CC(=CC=C3)O

分子量

240.26

Reaxy-Rn

1288274

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1288274&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Flavonoids
• Subclass: Flavans
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavanones
• Alternative Parents: Monohydroxyflavonoids 3'-hydroxyflavonoids 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 - Hydroxyflavonoid - 3'-hydroxyflavonoid - Monohydroxyflavonoid - Chromone - Chromane - Benzopyran - 1-benzopyran - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: 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: 3'-hydroxyflavanones - 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

関連ターゲット（人間）

ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HEK293 (82097 Activities)

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HeLa (62764 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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関連ターゲット（非人間）

Enterococcus faecalis (29875 Activities)

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Plasmodium falciparum (966862 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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作用メカニズム

化学的性質と物理的性質

• 感度: Air sensitive
• 分子量: 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