Dihydrofumigatin
PubChem CID: 25244596
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| Compound Synonyms | Dihydrofumigatin, fumigatol, 3-methoxy-6-methyl-1 ,2,4-benzenetriol |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | FBRSHCVRTNPNES-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Compound Name | Dihydrofumigatin |
| Description | Dihydrofumigatin is a member of the class of compounds known as ubiquinols. Ubiquinols are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methylbenzene-1,4-diol moiety to which an isoprenyl group is attached at ring position 2(or 6). Dihydrofumigatin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Dihydrofumigatin can be found in ceylon cinnamon, which makes dihydrofumigatin a potential biomarker for the consumption of this food product. |
| Exact Mass | 170.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.058 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 150.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 170.16 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-6-methylbenzene-1,2,4-triol |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C8H10O4/c1-4-3-5(9)8(12-2)7(11)6(4)10/h3,9-11H,1-2H3 |
| Smiles | CC1=CC(=C(C(=C1O)O)OC)O |
| Xlogp | 0.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C8H10O4 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Verum (Plant) Rel Props:Source_db:fooddb_chem_all