Gossypin

Base Information

• Chemical Name: Gossypin
• CAS No.: 652-78-8
• Molecular Formula: C21H20O13
• Molecular Weight: 480.382
• Hs Code.: 2938909090
• European Community (EC) Number: 613-767-7
• UNII: A3Q367XWX9
• ChEMBL ID: CHEMBL402915
• DSSTox Substance ID: DTXSID60215512
• Metabolomics Workbench ID: 70358
• Nikkaji Number: J94.552H
• Wikidata: Q27106791
• Mol file: 652-78-8.mol

Synonyms:gossypetin 8-glucoside;gossypin

Chemical Property of Gossypin

Chemical Property:

• Vapor Pressure: 1.18E-33mmHg at 25°C
• Melting Point: 229-230 ºC
• Refractive Index: 1.799
• Boiling Point: 886 °C at 760 mmHg
• PKA: 5.70±0.40(Predicted)
• Flash Point: 310.8 °C
• PSA: 230.74000
• Density: 1.883 g/cm³
• LogP: -0.83330
• Storage Temp.: ?20°C
• Solubility.: DMSO: soluble15mg/mL, clear
• XLogP3: 0
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 480.09039069
• Heavy Atom Count: 34
• Complexity: 789

Purity/Quality:

≥98% ^*data from raw suppliers

Gossypin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XiXn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-62-37/38-36-22
• Safety Statements: 26-36-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
• Uses: antiinflammatory, antiangiogenesis, antineoplastic, inhibits NF-kB cell response

Technology Process of Gossypin

There total 1 articles about Gossypin 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:

Gossypetin-3-β-D-(2-O-β-D-glucopyranosidoglucopyranosid)-8-β-D-glucopyranosid → gossypin (652-78-8)

Guidance literature:

With hydrogenchloride; In ethanol; at 70 ℃; for 1h;

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + gossypin (652-78-8) → 2-(4,5-dihydroxy-9-(4-hydroxyphenyl)-7-(3,5,7-trihydroxy-8-{(3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-2-pyranyl)oxy}-4-oxo-4H-2-chromenyl)-9H-2-xanthenyl)-3,5,7-trihydroxy-8-{(3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-2-pyranyl)oxy}-4H-4-chromenone (1283102-47-5)

Guidance literature:

With iron(III) chloride; at 130 - 140 ℃;

Reference yield:

4-methoxy-benzaldehyde (123-11-5) + gossypin (652-78-8) → 2-(4,5-dihydroxy-9-(4-methoxyphenyl)-7-(3,5,7-trihydroxy-8-{(3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-2-pyranyl)oxy}-4-oxo-4H-2-chromenyl)-9H-2-xanthenyl)-3,5,7-trihydroxy-8-{(3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-2-pyranyl)oxy}-4H-4-chromenone (1283102-45-3)

Guidance literature:

With iron(III) chloride; at 130 - 140 ℃;

Downstream raw materials:

2-(4,5-dihydroxy-9-(4-nitrophenyl)-7-(3,5,7-trihydroxy-8-{(3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-2-pyranyl)oxy}-4-oxo-4H-2-chromenyl)-9H-2-xanthenyl)-3,5,7-trihydroxy-8-{(3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-2-pyranyl)oxy}-4H-4-chromenone

2-(4,5-dihydroxy-9-phenyl-7-(3,5,7-trihydroxy-8-{(3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-2-pyranyl)oxy}-4-oxo-4H-2-chromenyl)-9H-2-xanthenyl)-3,5,7-trihydroxy-8-{(3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-2-pyranyl)oxy}-4H-4-chromenone

2-(4,5-dihydroxy-9-(4-hydroxyphenyl)-7-(3,5,7-trihydroxy-8-{(3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-2-pyranyl)oxy}-4-oxo-4H-2-chromenyl)-9H-2-xanthenyl)-3,5,7-trihydroxy-8-{(3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-2-pyranyl)oxy}-4H-4-chromenone

2-(4,5-dihydroxy-9-(4-methoxyphenyl)-7-(3,5,7-trihydroxy-8-{(3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-2-pyranyl)oxy}-4-oxo-4H-2-chromenyl)-9H-2-xanthenyl)-3,5,7-trihydroxy-8-{(3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-2-pyranyl)oxy}-4H-4-chromenone

Refernces