7,4'-Dimethoxyflavone
PubChem CID: 466269
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| Compound Synonyms | 7,4'-Dimethoxyflavone, 20979-50-4, 4',7-Dimethoxyflavone, 7-methoxy-2-(4-methoxyphenyl)chromen-4-one, 7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 7-methoxy-2-(4-methoxyphenyl)-, 4,7-DIMETHOXYFLAVONE, CHEMBL16442, DTXSID40332791, Dimethyldaidzin, Spectrum_001784, 7,4''-dimethoxyflavone, Spectrum2_000057, Spectrum3_001879, 7-Methoxy-2-(4-methoxy-phenyl)-chromen-4-one, VT3Q9ZRK44, Oprea1_210472, Oprea1_683062, BSPBio_003358, KBioSS_002269, SPBio_000213, SCHEMBL3470601, KBio2_002268, KBio2_004836, KBio2_007404, KBio3_002860, DTXCID30283884, LGTXUFBDCDFQIU-UHFFFAOYSA-N, HMS1610K02, HMS3428I06, BDBM50310184, CCG-38360, MFCD00017686, AKOS000663257, FD67489, NCGC00178120-01, DB-045444, SR-01000434442, SR-01000434442-1, BRD-K16115965-001-02-2, Q63409417, 7-Methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 108-373-2 |
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| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Description | 7,4'-dimethoxyflavone 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. 7,4'-dimethoxyflavone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 7,4'-dimethoxyflavone can be found in fenugreek, which makes 7,4'-dimethoxyflavone a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 409.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-2-(4-methoxyphenyl)chromen-4-one |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | 3.9 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | O-methylated flavonoids |
| Molecular Formula | C17H14O4 |
| Inchi Key | LGTXUFBDCDFQIU-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | Ipraflavone, 74'-Dimethoxyflavone, 4'7-Dimethoxyflavone |
| Compound Name | 7,4'-Dimethoxyflavone |
| Kingdom | Organic compounds |
| Exact Mass | 282.089 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 282.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 282.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)16-10-15(18)14-8-7-13(20-2)9-17(14)21-16/h3-10H,1-2H3 |
| Smiles | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 7-O-methylated flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all