Isogingerenone B

Base Information

• Chemical Name: Isogingerenone B
• CAS No.: 128700-99-2
• Molecular Formula: C22H26 O6
• DSSTox Substance ID: DTXSID501130142
• Nikkaji Number: J282.844H
• Wikidata: Q76303530
• Metabolomics Workbench ID: 46939
• Mol file: 128700-99-2.mol

Synonyms:Isogingerenone B;CHEBI:175922;DTXSID501130142;(E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one;(4E)-1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one;(4E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one;1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one;128700-99-2

Chemical Property of Isogingerenone B

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 386.17293854
• Heavy Atom Count: 28
• Complexity: 479

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)CCC(=O)C=CCCC2=CC(=C(C=C2)O)OC
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)CCC(=O)/C=C/CCC2=CC(=C(C=C2)O)OC