Andrographin

Base Information

• Chemical Name: Andrographin
• CAS No.: 1165-40-8
• Molecular Formula: C18H16 O6
• Molecular Weight: 328.321
• DSSTox Substance ID: DTXSID901317877
• Nikkaji Number: J13.160A
• Wikidata: Q104913268
• Metabolomics Workbench ID: 24399
• Mol file: 1165-40-8.mol

Synonyms:Andrographin;1165-40-8;Skullcapflavone I 2'-methyl ether;5-Hydroxy-2',7,8-trimethoxyflavone;5-hydroxy-7,8,2'-trimethoxyflavone;SCHEMBL6069963;DTXSID901317877;5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one;LMPK12111316;5-Hydroxy-7,8,2?-trimethoxyflavone;5-Hydroxy-2/',7,8-trimethoxyflavone;XH161940

Chemical Property of Andrographin

Chemical Property:

• PSA: 78.13000
• LogP: 3.19140
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 328.09468823
• Heavy Atom Count: 24
• Complexity: 490

Purity/Quality:

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

5-Hydroxy-7,8,2′-trimethoxyflavone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC

Technology Process of Andrographin

There total 2 articles about Andrographin 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:

andrographidine E (113963-41-0) → 5-hydroxy-7,8,2'-trimethoxyflavone (1165-40-8) + methyl-alpha-D-glucopyranoside (97-30-3)

Guidance literature:

With hydrogenchloride; In methanol;

Reference yield:

→ 5-hydroxy-7,8,2'-trimethoxyflavone (1165-40-8)

Guidance literature:

Panicolin, Dimethylsulfat;

upstream raw materials:

andrographidine E