Dihydrodaidzein

Base Information

• Chemical Name: Dihydrodaidzein
• CAS No.: 17238-05-0
• Molecular Formula: C₁₅H₁₂O₄
• Molecular Weight: 256.258
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID70912308
• Nikkaji Number: J668.309F
• Wikidata: Q27145588
• Metabolomics Workbench ID: 22584
• Mol file: 17238-05-0.mol

Synonyms:dihydrodaidzein

Chemical Property of Dihydrodaidzein

Chemical Property:

• Vapor Pressure: 7.94E-12mmHg at 25°C
• Melting Point: 250-251°C
• Boiling Point: 529.5°Cat760mmHg
• PKA: 7.71±0.40(Predicted)
• Flash Point: 206.9°C
• PSA: 66.76000
• Density: 1.386g/cm³
• LogP: 2.45670
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: ≤0.1mg/ml in ethanol;30mg/ml in DMSO;10mg/ml in dimethyl formamide
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 256.07355886
• Heavy Atom Count: 19
• Complexity: 335

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

DihydroDaidzein ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O
• Uses: A metabolite of Daidzein. Daidzein is an isoflavonoid phytoestrogenic compound found in soybeans, pea pods, clover, kudzu, and other legumes. Dihydrodaidzein is an active, estrogenic metabolite of daidzein. It has vasodilatory action on rat isolated aortic rings at 1 μg/ml. It stimulates the estrogen receptor-dependent growth of breast cancer MCF-7 cells at micromolar concentrations. Dihydrodaidzein is produced by the metabolism of daidzein in colonic bacteria and may be further metabolized to various bioactive compounds, including equol .

Technology Process of Dihydrodaidzein

There total 21 articles about Dihydrodaidzein which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.8%

7,4'-diethoxymethoxyisoflavanone (112182-89-5) → dihydrodaidzein (17238-05-0,37054-07-2,58865-02-4)

Guidance literature:

With hydrogenchloride; In methanol; for 0.25h; Heating;

Reference yield: 82.0%

daidzein (486-66-8) → dihydrodaidzein (17238-05-0,37054-07-2,58865-02-4)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; for 2h; Heating;

DOI:10.1021/jo970892u

Reference yield: 73.0%

(+/-)-2,3-Dihydro-7-(methoxymethoxy)-3-<4-(methoxymethoxy)phenyl>-4H-1-benzopyran-4-on (141330-30-5) → dihydrodaidzein (17238-05-0,37054-07-2,58865-02-4)

Guidance literature:

With hydrogenchloride; In methanol; water; for 0.166667h; Heating;

DOI:10.1002/hlca.19920750205

upstream raw materials:

daidzein

7,4'-diethoxymethoxyisoflavanone

(+/-)-2,3-Dihydro-7-(methoxymethoxy)-3-<4-(methoxymethoxy)phenyl>-4H-1-benzopyran-4-on

7-(Methoxymethoxy)-3-<4-(methoxymethoxy)phenyl>-4H-1-benzopyran-4-on

Downstream raw materials:

trans-2,3-dihydro-7-hydroxy-3-(4-hydroxyphenyl)-4H-benzopyran-4-ol

equol

C₁₉H₂₁NO₄

C₁₈H₁₉NO₄