Isobavachin

Base Information

• Chemical Name: Isobavachin
• CAS No.: 31524-62-6
• Molecular Formula: C20H20 O4
• Molecular Weight: 324.376
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID20953509
• Nikkaji Number: J18.895F
• Wikidata: Q72484945
• ChEMBL ID: CHEMBL491534
• Mol file: 31524-62-6.mol

Synonyms:4',7-dihydroxy-8-prenylflavanone;isobavachin

Chemical Property of Isobavachin

Chemical Property:

• Vapor Pressure: 4.52E-13mmHg at 25°C
• Melting Point: 187-188℃
• Boiling Point: 558.3°C at 760 mmHg
• Flash Point: 202.1°C
• PSA: 66.76000
• Density: 1.244
• LogP: 4.31300
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 324.13615911
• Heavy Atom Count: 24
• Complexity: 474

Purity/Quality:

98%,99%, ^*data from raw suppliers

Isobavachin >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)C
• Isomeric SMILES: CC(=CCC1=C(C=CC2=C1O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)C
• Uses: Flavonoids is the parent compound for I315240. Flavonoids are ant-idiabetic activity, most of the flavonoids showed a remarkable in vitro activity.

Technology Process of Isobavachin

There total 1 articles about Isobavachin 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: 45.8%

dimethylallyl diphosphate (358-72-5) + liquiritigenin (578-86-9,41680-09-5) → ((2S)-2,3-dihydro-7-hydroxy-2-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one (31524-62-6)

Guidance literature:

With recombinant Sophora flavescens flavonoid prenyltransferase; magnesium chloride; In aq. buffer; at 40 ℃; for 2h; pH=9; stereospecific reaction; Kinetics; Enzymatic reaction;

DOI:10.1002/adsc.201300196

upstream raw materials:

dimethylallyl diphosphate

liquiritigenin

Refernces