3,5,7-Trihydroxy-4',6-dimethoxyflavanone
PubChem CID: 131752792
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| Compound Synonyms | 3,5,7-Trihydroxy-4',6-dimethoxyflavanone, CHEBI:175239, 3,5,7-Trihydroxy-6,4'-dimethoxyflavanone, 3,5,7-trihydroxy-6-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | MEROIHPPFMVPPD-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | ((4-(Phenylsulfinyl)-1,3-butadienyl)sulfonyl)benzene, 3,5,7-Trihydroxy-4',6-dimethoxyflavanone, 3,5,7-Trihydroxy-6,4'-dimethoxyflavanone, Phenyl 4-(phenylsulfinyl)-1,3-butadienyl sulfone |
| Heavy Atom Count | 24.0 |
| Compound Name | 3,5,7-Trihydroxy-4',6-dimethoxyflavanone |
| Description | Constituent of the heartwood of Prunus domestica (plum). 3,5,7-Trihydroxy-4',6-dimethoxyflavanone is found in fruits and european plum. |
| Exact Mass | 332.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.09 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 332.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,7-trihydroxy-6-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)16-15(21)13(19)12-11(24-16)7-10(18)17(23-2)14(12)20/h3-7,15-16,18,20-21H,1-2H3 |
| Smiles | COC1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O |
| Xlogp | 2.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H16O7 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all