Okanin

Base Information

• Chemical Name: Okanin
• CAS No.: 484-76-4
• Molecular Formula: C15H12 O6
• Molecular Weight: 288.257
• UNII: 8R55YLB39F
• ChEMBL ID: CHEMBL222557
• Metabolomics Workbench ID: 26657
• Nikkaji Number: J12.560A
• NSC Number: 93087
• Wikidata: Q7081816
• Wikipedia: Okanin
• Mol file: 484-76-4.mol

Synonyms:okanin

Chemical Property of Okanin

Chemical Property:

• Vapor Pressure: 7.12E-17mmHg at 25°C
• Melting Point: 235-242 °C
• Boiling Point: 638°Cat760mmHg
• PKA: 7.22±0.40(Predicted)
• Flash Point: 353.7°C
• PSA: 118.22000
• Density: 1.584g/cm³
• LogP: 2.11070
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 288.06338810
• Heavy Atom Count: 21
• Complexity: 396

Purity/Quality:

≥98% ^*data from raw suppliers

Okanin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)C2=C(C(=C(C=C2)O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1/C=C/C(=O)C2=C(C(=C(C=C2)O)O)O)O)O
• Uses: Okanin, extracted from Dalbergia sissoo Roxb. leaves is a good antibacterial agent and possible anti-inflammatory agent. Chalcone. Anti-cancer agent.

Technology Process of Okanin

There total 9 articles about Okanin 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: 97.1%

C25H32O11 → okanin (484-76-4)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 0.25h; Reflux;

DOI:10.1016/j.bmc.2015.12.024

Reference yield:

→ okanin (484-76-4)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01558a057

Reference yield:

→ okanin (484-76-4)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01558a057

upstream raw materials:

3.4.2'.3'.4'-pentabenzoyloxy-trans-chalcone

2',3',4'-trihydroxyacetophenone

3,4-dihydroxybenzaldehyde

3,4-dibenzoyloxybenzaldehyde

Downstream raw materials:

3,4,2',3',4'-pentaacetoxy-trans-chalcone

3.4.2'.3'.4'-pentabenzoyloxy-trans-chalcone

Refernces

• 1、 Hofmann, Emily,Webster, Jonathan,Do, Thuy,Kline, Reid,Snider, Lindsey,Hauser, Quintin,Higginbottom, Grace,Campbell, Austin,Ma, Lili,Paula, Stefan. "Hydroxylated chalcones with dual properties: Xanthine oxidase inhibitors and radical scavengers". . p. 578 - 587. Retrieved 2016/02/09.