3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxychromen-4-one
PubChem CID: 15290461
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| Topological Polar Surface Area | 135.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | BWMPBUKVVAIQMC-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 3,3',5,7-Tetrahydroxy-4',6,8-trimethoxyflavone, 3',5,7-Trihydroxy-4',6,8-trimethoxyflavonol, Isolimocitrol |
| Heavy Atom Count | 27.0 |
| Compound Name | 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxychromen-4-one |
| Description | 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4h-chromen-4-one is a member of the class of compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4h-chromen-4-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4h-chromen-4-one can be found in lemon, which makes 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4h-chromen-4-one a potential biomarker for the consumption of this food product. |
| Exact Mass | 376.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.079 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 591.0 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 376.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxychromen-4-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C18H16O9/c1-24-9-5-4-7(6-8(9)19)15-13(22)11(20)10-12(21)17(25-2)14(23)18(26-3)16(10)27-15/h4-6,19,21-23H,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)O)O |
| Xlogp | 2.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C18H16O9 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all