TL;DR: Gingerenone B (CAS 128700-98-1) is a chemical compound with molecular formula C22H26O6 and molecular weight 386.17294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
Also Known As: Gingerenone B, (E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one, (4E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one, (4E)-7-(4-Hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one, (E)-1-(3-Methoxy-4-hydroxyphenyl)-7-(3,5-dimethoxy-4-hydroxyphenyl)-4-hepten-3-one
| Molecular Formula | C22H26O6 |
| Molecular Weight | 386.17294 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 386.17294 Da |
| Heavy Atoms | 28 |
| Complexity | 479.0 |
| SMILES | COC1=CC(=CC(=C1O)OC)CC/C=C/C(=O)CCC2=CC(=C(C=C2)O)OC |
| InChIKey | BGYDJLLXKGVQBP-FNORWQNLSA-N |
The XLogP value of 3.7 indicates that Gingerenone B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Gingerenone B. Following Lipinski's Rule of Five, Gingerenone B has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Gingerenone B is 128700-98-1.
The molecular formula of Gingerenone B is C22H26O6.
The molecular weight of Gingerenone B is 386.17294 g/mol.
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