4'-Hydroxyflavanone - ≥98% , CAS No.6515-37-3

CAS: 6515-37-3 Cat. No.: H157179 Formula: C₁₅H₁₂O₃ Molecular Weight: 240.26 Beilstein Registry Number: 18(3/4)637 EC Number: 676-790-1

GRADE & PURITY ≥98%

Synonyms

4''-Hydroxyflavanone | 4'-Hydroxyflavanone | 4'-Hydroxy-Flavanone | 4-hydroxyflavanone | 5K6L8O868Y | SMR001224351 | 2,3-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | 4 inverted exclamation mark -Hydroxyflavanone | ACon1_000184 | CHEBI:34361 | DTXSI

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research.

Product Application:

4'-Hydroxyflavanone could be a useful antitumor agent, specifically studied as a strong aromatase inhibitor against estrogen-dependent breast cancer.

Specifications

Synonyms

4''-Hydroxyflavanone | 4'-Hydroxyflavanone | 4'-Hydroxy-Flavanone | 4-hydroxyflavanone | 5K6L8O868Y | SMR001224351 | 2,3-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | 4 inverted exclamation mark -Hydroxyflavanone | ACon1_000184 | CHEBI:34361 | DTXSI

Specifications & Purity

≥98%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid

488188388

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188388

Canonical Smiles

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

IUPAC Name

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

InChIKey

ZLHVIYHWWQYJID-UHFFFAOYSA-N

INCHI

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

Isomeric SMILES

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

Molecular Weight

240.26

Beilstein

18(3/4)637

Reaxy-Rn

384424

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=384424&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: Flavans
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavanones
• Alternative Parents: Monohydroxyflavonoids 4'-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: 4'-hydroxyflavonoid - Monohydroxyflavonoid - Hydroxyflavonoid - Flavanone - Chromone - Chromane - Benzopyran - 1-benzopyran - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - 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

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 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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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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XDH Tclin Xanthine dehydrogenase (1038 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 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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GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

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

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

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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

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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

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GMNN Tbio Geminin (128009 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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ADORA1 Tclin Adenosine receptors; A1 & A3 (1051 Activities)

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Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)

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Enterococcus faecalis (29875 Activities)

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Plasmodium falciparum (966862 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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FTL Ferritin light chain (43324 Activities)

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Adora2b Adenosine A2 receptor (1828 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Chloroform (Slightly, Heated), Methanol (Slightly)
• x_melt_point_char: 192 °C
• Molecular Weight: 240.250 g/mol
• XLogP3: 2.800
• 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: 307.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 6515-37-3, the molecular formula is C15H12O3, and the molecular weight is 240.26 g/mol. InChIKey ZLHVIYHWWQYJID-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.