Xanthoangelol E

Base Information

• Chemical Name: Xanthoangelol E
• CAS No.: 132998-84-6
• Molecular Formula: C₂₁H₂₂O₆
• Molecular Weight: 370.402
• UNII: 6TIJ704AEZ
• Nikkaji Number: J359.036D,J449.765A
• Metabolomics Workbench ID: 26520
• ChEMBL ID: CHEMBL1718454
• Mol file: 132998-84-6.mol

Synonyms:xanthoangelol E;Ashitaba-chalcone;6TIJ704AEZ;XA-E;UNII-6TIJ704AEZ;CHEMBL1718454;2',4-Dihydroxy-4'-methoxy-3'-(2-hydroperoxy-3-methyl-3-butenyl)chalcone;(2E)-1-(3-(2-Hydroperoxy-3-methyl-3-buten-1-yl)-2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one;132998-84-6;2-Propen-1-one, 1-(3-(2-hydroperoxy-3-methyl-3-buten-1-yl)-2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-;2-Propen-1-one, 1-(3-(2-hydroperoxy-3-methyl-3-butenyl)-2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-;2-Propen-1-one, 1-(3-(2-hydroperoxy-3-methyl-3-butenyl)-2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-, (E)-;MLS002472955;SCHEMBL14523858;HMS2267D11;BDBM50069683;LMPK12120043;SMR001397063;HY-115918;CS-0433533;2',4-Dihydroxy-4'-methoxy-3'-(3-methyl-2-hydroperoxy-3-butenyl)chalcone

Chemical Property of Xanthoangelol E

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 370.14163842
• Heavy Atom Count: 27
• Complexity: 523

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C(CC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)OO
• Isomeric SMILES: CC(=C)C(CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)OO

Technology Process of Xanthoangelol E

There total 1 articles about Xanthoangelol E 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: 57.0%

4-hydroxyderricin (54647-08-4,55912-03-3) → xanthoangelol E (132998-84-6)

Guidance literature:

With oxygen; 3,7-bis(dimethylamine)phenothiazonium; In acetonitrile; at 15 ℃; for 1h; under 760.051 Torr; Reagent/catalyst; Solvent; Irradiation;

DOI:10.1080/00397911.2020.1745242

Reference yield:

xanthoangelol E (132998-84-6) → (E)-1-(2-hydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one (132998-83-5)

Guidance literature:

With triphenylphosphine; In methanol; for 1h; Ambient temperature;

DOI:10.1016/0031-9422(90)85357-L

Reference yield:

xanthoangelol E (132998-84-6) → 2',4-dihydroxy-4'-methoxy-3'-(2-hydroxy-3-methylbutyl)dihydrochalcone (132998-86-8)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol;

DOI:10.1016/0031-9422(90)85357-L

upstream raw materials:

4-hydroxyderricin

Downstream raw materials:

2',4-diacetoxy-4'-methoxy-3'-(3-methyl-2-oxo-3-butenyl)chalcone

2',4-dihydroxy-4'-methoxy-3'-(2-hydroxy-3-methylbutyl)dihydrochalcone

(E)-1-(2-hydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one