8-Demethylthymonin
PubChem CID: 157010019
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| Compound Synonyms | 8-Demethylthymonin |
|---|---|
| Topological Polar Surface Area | 126.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | YKXZTXWDLQVGGK-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Compound Name | 8-Demethylthymonin |
| Description | 8-demethylthymonin is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. 8-demethylthymonin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 8-demethylthymonin can be found in common thyme, which makes 8-demethylthymonin a potential biomarker for the consumption of this food product. |
| Exact Mass | 348.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.085 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 485.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 348.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,6,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C17H16O8/c1-23-11-5-7(3-4-8(11)18)10-6-9(19)12-13(20)14(21)17(24-2)15(22)16(12)25-10/h3-5,10,18,20-22H,6H2,1-2H3 |
| Smiles | COC1=C(C=CC(=C1)C2CC(=O)C3=C(C(=C(C(=C3O2)O)OC)O)O)O |
| Xlogp | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H16O8 |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all