1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one

Base Information

• Chemical Name: 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one
• CAS No.: 128701-01-9
• Molecular Formula: C20H22 O4
• DSSTox Substance ID: DTXSID001317537
• Nikkaji Number: J282.845F
• Wikidata: Q27139034
• Metabolomics Workbench ID: 46659
• ChEMBL ID: CHEMBL1270357
• Mol file: 128701-01-9.mol

Synonyms:Gingerenone C;CHEBI:70703;1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one;(E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one;128701-01-9;(4E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one;CHEMBL1270357;DTXSID001317537;Q27139034;1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-4-hepten-3-one

Chemical Property of 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 326.15180918
• Heavy Atom Count: 24
• Complexity: 398

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)CCC(=O)C=CCCC2=CC=C(C=C2)O)O
• Isomeric SMILES: COC1=C(C=CC(=C1)CCC(=O)/C=C/CCC2=CC=C(C=C2)O)O