Byakangelicin

Base Information

• Chemical Name: Byakangelicin
• CAS No.: 482-25-7
• Molecular Formula: C17H18 O7
• Molecular Weight: 334.326
• European Community (EC) Number: 683-113-3,866-253-1
• UNII: LE80Z850I1
• DSSTox Substance ID: DTXSID70197456
• Nikkaji Number: J14.808C
• Wikidata: Q3639306
• Metabolomics Workbench ID: 67590
• ChEMBL ID: CHEMBL508648
• Mol file: 482-25-7.mol

Synonyms:9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one;byak-angelicin;byakangelicin

Chemical Property of Byakangelicin

Chemical Property:

• Vapor Pressure: 6.69E-14mmHg at 25°C
• Melting Point: 123-124℃
• Boiling Point: 571.5°Cat760mmHg
• PKA: 13.67±0.20(Predicted)
• Flash Point: 299.4°C
• PSA: 102.27000
• Density: 1.373g/cm³
• LogP: 2.05840
• Storage Temp.: ?20°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 334.10525291
• Heavy Atom Count: 24
• Complexity: 503

Purity/Quality:

99% ^*data from raw suppliers

(+)-Byakangelicin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O
• Isomeric SMILES: CC(C)([C@@H](COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O
• Uses: (+)-Byakangelicin is an effective inhibitor of sex hormones and affects the catabolism of endogenous hormones. It directly affects the cytochrome P450 isoform (CY) P3A4 in human hepatocytes. Also, an inhibitor of aldose reductase and used in the treatment of diabetic cataract.

Technology Process of Byakangelicin

There total 8 articles about Byakangelicin 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:

2''-O-α-L-rhamnosyl-(+)-byakangelicin → L-Rhamnose (3615-41-6,478518-52-4) + (R)-byakangelicin (482-25-7)

Guidance literature:

With hydrogenchloride; In methanol; water; for 2h; Reflux;

DOI:10.1016/j.phytol.2020.01.006

Reference yield:

3''-O-α-L-rhamnosyl-(+)-byakangelicin → L-Rhamnose (3615-41-6,478518-52-4) + (R)-byakangelicin (482-25-7)

Guidance literature:

With hydrogenchloride; In methanol; water; for 2h; Reflux;

DOI:10.1016/j.phytol.2020.01.006

Reference yield:

2'',3''-di-O-α-L-rhamnosyl-(+)-byakangelicin → L-Rhamnose (3615-41-6,478518-52-4) + (R)-byakangelicin (482-25-7)

Guidance literature:

With hydrogenchloride; In methanol; water; for 2h; Reflux;

DOI:10.1016/j.phytol.2020.01.006

Downstream raw materials:

4-methoxy-9-(3-methyl-2-oxo-butoxy)-furo[3,2-g]chromen-7-one

(+/-)-byakangelicol

Refernces

• 1、 Matsuo, Yukiko,Yamaguchi, Emi,Hakamata, Ryo,Ootomo, Kanae,Takatori, Kazuhiro,Fukaya, Haruhiko,Mimaki, Yoshihiro. "Benzofuran and coumarin derivatives from the root of Angelica dahurica and their PPAR-γ ligand-binding activity". . . Retrieved 2020/02/26.