Homoplantaginin

Base Information

• Chemical Name: Homoplantaginin
• CAS No.: 17680-84-1
• Molecular Formula: C22H22O11
• Molecular Weight: 462.41
• UNII: 396COT90TD
• DSSTox Substance ID: DTXSID20415733
• Nikkaji Number: J1.052.066E
• Wikidata: Q27256865
• Metabolomics Workbench ID: 138023
• ChEMBL ID: CHEMBL480657
• Mol file: 17680-84-1.mol

Synonyms:6-methoxy-4',5-dihydroxyflavone-7-O-glucoside;homoplantaginin

Chemical Property of Homoplantaginin

Chemical Property:

• Vapor Pressure: 7.19E-27mmHg at 25°C
• Melting Point: 256-258℃
• Refractive Index: 1.694
• Boiling Point: 798.1 °C at 760 mmHg
• PKA: 6.11±0.40(Predicted)
• Flash Point: 279.7 °C
• PSA: 179.28000
• Density: 1.609 g/cm³
• LogP: 0.05850
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 462.11621151
• Heavy Atom Count: 33
• Complexity: 721

Purity/Quality:

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

Homoplantaginin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O
• Isomeric SMILES: COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Technology Process of Homoplantaginin

There total 2 articles about Homoplantaginin 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: 84.0%

hispidulin-7-O-β-D-methylglucuronopyranoside → tectoridin (17680-84-1)

Guidance literature:

With sodium tetrahydroborate; at 20 ℃; for 1h;

Reference yield:

scutellarin (27740-01-8,676536-34-8) → tectoridin (17680-84-1)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid / 3 h / 20 °C

2: potassium carbonate / N,N-dimethyl-formamide / 20 - 40 °C / Inert atmosphere

3: sodium tetrahydroborate / 1 h / 20 °C

With sodium tetrahydroborate; sulfuric acid; potassium carbonate; In N,N-dimethyl-formamide;

Reference yield:

tectoridin (17680-84-1) → D-Glucose (2280-44-6) + hispidulin (1447-88-7)

Guidance literature:

With hydrolysis;

DOI:10.1007/BF00600848

upstream raw materials:

scutellarin

Downstream raw materials:

D-Glucose

hispidulin

Refernces

• 1、 Ding, Ning,Li, Yingxia,Wang, Yujie,Xiao, Qiang,Xie, Mingxian,Yan, Shiqiang. "Semi-synthesis of a series natural flavonoids and flavonoid glycosides from scutellarin". . . Retrieved 2020/01/22.