Isothymusin
PubChem CID: 630253
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| Compound Synonyms | Isothymusin, 98755-25-0, 5,8-dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one, 6,7-Dimethoxy-5,8,4'-trihydroxyflavone, 5,8,4'-Trihydroxy-6,7-dimethoxyflavone, 5,8-Dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one, SCHEMBL694063, CHEMBL487196, IODGQWWTJYDCLN-UHFFFAOYSA-N, HY-N3451, YDA75525, LMPK12111453, 4H-1-Benzopyran-4-one,5,8-dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-, AKOS040761915, FS-9219, DA-60406, CS-0024267, G89004, 5,8-Dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-one # |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | IODGQWWTJYDCLN-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | (-)-isoneorautenol, 4',5,8-Trihydroxy-6,7-dimethoxyflavone, 6,7-Dimethoxy-5,8,4'-trihydroxyflavone, Isoneorautenol, Isothymusin |
| Heavy Atom Count | 24.0 |
| Compound Name | Isothymusin |
| Description | Isothymusin, also known as 6,7-dimethoxy-5,8,4'-trihydroxyflavone, 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. Thus, isothymusin is considered to be a flavonoid lipid molecule. Isothymusin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Isothymusin can be found in sour cherry, which makes isothymusin a potential biomarker for the consumption of this food product. |
| Exact Mass | 330.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.074 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 497.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 330.29 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-3-5-9(18)6-4-8)24-15(12)14(21)17(16)23-2/h3-7,18,20-21H,1-2H3 |
| Smiles | COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O)OC |
| Xlogp | 2.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H14O7 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Cerasus (Plant) Rel Props:Source_db:fooddb_chem_all