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

CAS: 221054-79-1 Cat. No.: R347296 Formula: C₁₅H₁₄O₃ Peso molecolare: 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

Panoramica

(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

Sinonimi

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 |

Specifiche e purezza

Moligand™,≥98%

Condizioni di conservazione di stoccaggio

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

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

AGONIST

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: C1[C@@H](COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
• Peso molecolare: 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
    • Classe Isoflavonoids
      • Subclass Isoflavans

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: 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).
• Sensibilità: light sensitive
• Indice di rifrazione: n20D1.65 (Predicted)
• Peso molecolare: 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

Domande frequenti

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.