Showing Metabocard for 2'-O-methylisoliquiritigenin (BASm0013244)
| Common Name | 2'-o-methylisoliquiritigenin |
|---|---|
| Description | 2'-O-Methylisoliquiritigenin (CAS: 51828-10-5), also known as 4,4'-dihydroxy-2'-methoxychalcone or 3-deoxysappanchalcone, belongs to the class of organic compounds known as cinnamylphenols. These are organic compounds containing the 1,3-diphenylpropene moiety with one benzene ring bearing one or more hydroxyl groups. Thus, 2'-O-methylisoliquiritigenin is considered to be a flavonoid lipid molecule. 2'-O-Methylisoliquiritigenin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 2'-O-Methylisoliquiritigenin is a stress metabolite of Pisum sativum (pea). |
| Structure | |
| Molecular Formula | C16H14O4 |
| Average Mass | 270.28000 |
| Monoisotopic Mass | 270.08921 |
| IUPAC Name | (2E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Traditional Name | 2'-o-methylisoliquiritigenin |
| CAS Registry Number | 112408-67-0 |
| SMILES | COc1cc(O)ccc1C(=O)/C=C/c1ccc(O)cc1 |
| InChI Identifier | InChI=1S/C16H14O4/c1-20-16-10-13(18)7-8-14(16)15(19)9-4-11-2-5-12(17)6-3-11/h2-10,17-18H,1H3/b9-4+ |
| InChI Key | PACBGANPVNHGNP-RUDMXATFSA-N |
| CHEBI ID | CHEBI:519567 |
| HMDB ID | HMDB0037319 |
| State | Solid |
| Water Solubility | 2.32e-02 g/l |
| logP | 3.40 |
| logS | -4.07 |
| pKa (Strongest Acidic) | 7.89 |
| pKa (Strongest Basic) | -4.89 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 66.76 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 77.30 m³·mol⁻¹ |
| Polarizability | 28.64 |