3,5,7-Trihydroxy-8-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID: 131836651
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| Topological Polar Surface Area | 105.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | KALYBGCOEHEKGT-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | 3,5,7-Trihydroxy-4',8-dimethoxyflavanone, 3,5,7-Trihydroxy-8,4'-dimethoxyflavanone |
| Heavy Atom Count | 24.0 |
| Compound Name | 3,5,7-Trihydroxy-8-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Description | 3,5,7-trihydroxy-8-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-one is a member of the class of compounds known as 8-o-methylated flavonoids. 8-o-methylated flavonoids are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. 3,5,7-trihydroxy-8-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3,5,7-trihydroxy-8-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-one can be found in european plum, which makes 3,5,7-trihydroxy-8-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-one a potential biomarker for the consumption of this food product. |
| Exact Mass | 332.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.09 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 332.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,7-trihydroxy-8-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,14-15,18-19,21H,1-2H3 |
| Smiles | COC1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)O |
| Xlogp | 2.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H16O7 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all