(2R,3R)-3,4',7-Trihydroxyflavanone
PubChem CID: 3512634
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| Compound Synonyms | (2R,3R)-3,4',7-Trihydroxyflavanone, 3,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one, 3,7,4'-Trihydroxyflavanon, 3,4',7-Trihydroxyflavanone, SCHEMBL9663852, CHEBI:174578, BAA22622, B0005-476437 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Description | (2r,3r)-3,4',7-trihydroxyflavanone is a member of the class of compounds known as flavanonols. Flavanonols are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively (2r,3r)-3,4',7-trihydroxyflavanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (2r,3r)-3,4',7-trihydroxyflavanone can be found in chickpea, common bean, and lima bean, which makes (2r,3r)-3,4',7-trihydroxyflavanone a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C15H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VRTGGIJPIYOHGT-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -2.77 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.691 |
| Synonyms | 2,3-Dihydro-3,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9CI, 4',7-Dihydroxydihydroflavanol, Garbanzol |
| Compound Name | (2R,3R)-3,4',7-Trihydroxyflavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6808872 |
| Inchi | InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,14-17,19H |
| Smiles | C1=CC(=CC=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cicer Arietinum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Phaseolus Lunatus (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all