6-Hydroxykaempferol
PubChem CID: 5281638
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| Compound Synonyms | 6-Hydroxykaempferol, 4324-55-4, 3,5,6,7-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one, DTXSID30415163, SCHEMBL674949, CHEMBL455504, DTXCID20366014, LMPK12112860, AKOS032946039, FS-7703, DA-60519, HY-116750, CS-0066458 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 22.0 |
| Description | 3,5,6,7-tetrahydroxy-2-(4-hydroxyphenyl)-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. Thus, 3,5,6,7-tetrahydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one is considered to be a flavonoid lipid molecule. 3,5,6,7-tetrahydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3,5,6,7-tetrahydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one can be found in safflower, which makes 3,5,6,7-tetrahydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 480.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q86831 |
| Iupac Name | 3,5,6,7-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.5 |
| Molecular Formula | C15H10O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LFPHMXIOQBBTSS-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.487 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.067 |
| Synonyms | 3,5,6,7-Tetrahydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9CI, 4',5,6,7-Tetrahydroxyflavonol, 6-Hydroxykaempferol, Galetin |
| Compound Name | 6-Hydroxykaempferol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.043 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 302.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.187757418181818 |
| Inchi | InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)15-14(21)13(20)10-9(22-15)5-8(17)11(18)12(10)19/h1-5,16-19,21H |
| Smiles | C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all