Gardenin A

Base Information

• Chemical Name: Gardenin A
• CAS No.: 21187-73-5
• Molecular Formula: C21H22O9
• Molecular Weight: 418.4
• Hs Code.: 2914509090
• NSC Number: 94889
• UNII: 24J0W87Z43
• DSSTox Substance ID: DTXSID30175417
• Nikkaji Number: J94.569B
• Wikidata: Q27253857
• Metabolomics Workbench ID: 24576
• ChEMBL ID: CHEMBL77705
• Mol file: 21187-73-5.mol

Synonyms:gardenin A

Chemical Property of Gardenin A

Chemical Property:

• Vapor Pressure: 3.57E-16mmHg at 25°C
• Melting Point: 162-163oC
• Boiling Point: 624.2°C at 760 mmHg
• PKA: 6.80±0.40(Predicted)
• Flash Point: 218.5°C
• PSA: 105.82000
• Density: 1.3g/cm³
• LogP: 3.21720
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 418.12638228
• Heavy Atom Count: 30
• Complexity: 610

Purity/Quality:

98% ^*data from raw suppliers

3'',4'',5'',6,7,8-Hexamethoxy-5-hydroxyflavone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O
• Uses: 3'',4'',5'',6,7,8-Hexamethoxy-5-hydroxyflavone is a flavonoid and a secondary metabolite in the methanolic extract of Gardenia resinifera and Gardenia latifolia.

Technology Process of Gardenin A

There total 2 articles about Gardenin A 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-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-benzopyran-4-one (6965-36-2) → gardenin A (21187-73-5)

Guidance literature:

With aluminium trichloride; In diethyl ether; Heating;

Reference yield:

→ gardenin A (21187-73-5)

Guidance literature:

Reference yield:

gardenin A (21187-73-5) + dimethyl sulfate (77-78-1) → 2-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-benzopyran-4-one (6965-36-2)

Guidance literature:

upstream raw materials:

2-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-benzopyran-4-one

Downstream raw materials:

5,6,7,8-tetrahydroxy-2-(3,4,5-trihydroxy-phenyl)-chromen-4-one

2-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-benzopyran-4-one

Refernces