(3R)-Sophorol
PubChem CID: 23724668
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| Compound Synonyms | (-)-Sophorol, (3R)-Sophorol, (3R)-7-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one, CHEBI:80395, LMPK12050461, Q27149424, 133067-72-8 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | FAPWSAQOVOBPCP-NSHDSACASA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | (-)-Sophorol |
| Heavy Atom Count | 22.0 |
| Compound Name | (3R)-Sophorol |
| Description | (3r)-sophorol is a member of the class of compounds known as isoflavanones. Isoflavanones are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4. Thus, (3r)-sophorol is considered to be a flavonoid lipid molecule (3r)-sophorol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (3r)-sophorol can be found in a number of food items such as japanese chestnut, radish, star fruit, and acerola, which makes (3r)-sophorol a potential biomarker for the consumption of these food products. |
| Exact Mass | 300.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.063 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.26 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-7-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H12O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-5,11,17-18H,6-7H2/t11-/m0/s1 |
| Smiles | C1[C@H](C(=O)C2=C(O1)C=C(C=C2)O)C3=CC4=C(C=C3O)OCO4 |
| Xlogp | 2.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H12O6 |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all