(R)-Equol - Moligand™,≥98% , CAS No.221054-79-1

CAS: 221054-79-1 Cat. No.: R347296 分子式: C₁₅H₁₄O₃ 分子量: 242.27

GRADE & PURITY Moligand™, ≥98%

Synonyms

STK801893 | R-Equol | AKOS004120071 | BBL026747 | DTXSID101318590 | EQUOL (R)-FORM [MI] | EX-A1353 | MFCD09025608 | (3R)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol | 2V8RAP1HXA | (3R)-3-(4-HYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-7-OL | Isoequol |

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

概要

(R)-Equol is a non-steroidal estrogen produced from the metabolism of the isoflavonoid phytoestrogen daidzein by human intestinal microflora. It is a chiral molecule that exists in two enantiomeric forms. In contrast to the estrogen receptor selectivity of (S)-equol , (R)-equol is a weaker ER agonist that binds to ERα and ERβ with K|i|values of 27.4 and 15.4 nM, respectively. The (R)-enantiomer demonstrates higher ER agonist activity at ERα compared to ERβ.

Specifications

同義語

STK801893 | R-Equol | AKOS004120071 | BBL026747 | DTXSID101318590 | EQUOL (R)-FORM [MI] | EX-A1353 | MFCD09025608 | (3R)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol | 2V8RAP1HXA | (3R)-3-(4-HYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-7-OL | Isoequol |

仕様と純度

Moligand™,≥98%

保管条件

Protected from light,Store at -20°C,Argon charged,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

AGONIST

純度

≥98%

名前と識別子

• カノニカル・スマイル: C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
• IUPAC Name: (3R)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
• InChIKey: ADFCQWZHKCXPAJ-LBPRGKRZSA-N
• INCHI: 1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m0/s1
• 異性体SMILES: C1[C@@H](COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
• 分子量: 242.27
• Reaxy-Rn: 87753
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=87753&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Isoflavonoids
• Subclass: Isoflavans
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoflavanols
• Alternative Parents: Hydroxyisoflavonoids 1-benzopyrans Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyisoflavonoid - Isoflavanol - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as isoflavanols. These are polycyclic compounds containing a hydroxylated isoflavan skeleton.
• 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in ethanol (~20 mg/ml), DMSO (~20 mg/ml), DMF (~10 mg/ml), and ethanol : PBS (1:10, pH 7.2) (~0.1 mg/ml).
• 感度: light sensitive
• 屈折率: n20D1.65 (Predicted)
• 分子量: 242.270 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 242.094 Da
• Monoisotopic Mass: 242.094 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 273.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

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.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

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

The CAS Number is 221054-79-1, the molecular formula is C15H14O3, and the molecular weight is 242.27 g/mol. InChIKey ADFCQWZHKCXPAJ-LBPRGKRZSA-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.