6,8-Dihydroxykaempferol
PubChem CID: 12133005
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| Compound Synonyms | 6,8-dihydroxykaempferol, SCHEMBL17938772, DTXSID101341709, 3,4',5,6,7,8-Hexahydroxyflavone, 4431-48-5 |
|---|---|
| Topological Polar Surface Area | 148.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 23.0 |
| Description | 3,4',5,6,7,8-hexahydroxyflavone 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. 3,4',5,6,7,8-hexahydroxyflavone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3,4',5,6,7,8-hexahydroxyflavone can be found in almond, which makes 3,4',5,6,7,8-hexahydroxyflavone a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 510.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,6,7,8-pentahydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 1.8 |
| Is Pains | True |
| Molecular Formula | C15H10O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WZIBNDUAQVRELQ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 1.0 |
| Synonyms | 3,4',5,6,7,8-Hexahydroxyflavone, 3,5,6,7,8-Pentahydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9CI, 4',5,6,7,8-Pentahydroxyflavonol, Calycopteretin |
| Compound Name | 6,8-Dihydroxykaempferol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 318.038 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 318.038 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 318.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.036752008695652 |
| Inchi | InChI=1S/C15H10O8/c16-6-3-1-5(2-4-6)14-12(21)9(18)7-8(17)10(19)11(20)13(22)15(7)23-14/h1-4,16-17,19-22H |
| Smiles | C1=CC(=CC=C1C2=C(C(=O)C3=C(C(=C(C(=C3O2)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients