5,7,2'-Trihydroxyflavanone
PubChem CID: 179999
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| Compound Synonyms | 5,7,2'-Trihydroxyflavanone, 120980-68-9, CHEMBL4278949, 5,7-dihydroxy-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one, 5,7-dihydroxy-2-(2-hydroxyphenyl)chroman-4-one, DTXSID60923625, CHEBI:186764, BDBM50469097, LMPK12140125, AKOS032962497, 5,7-Dihydroxy-2-(2-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | LSLXUDALHVEMQB-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Compound Name | 5,7,2'-Trihydroxyflavanone |
| Description | Citronetin is a member of the class of compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3. Thus, citronetin is considered to be a flavonoid lipid molecule. Citronetin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Citronetin can be found in lemon, which makes citronetin a potential biomarker for the consumption of this food product. |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H12O5/c16-8-5-11(18)15-12(19)7-13(20-14(15)6-8)9-3-1-2-4-10(9)17/h1-6,13,16-18H,7H2 |
| Smiles | C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3O |
| Xlogp | 2.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H12O5 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all