(+)-Pinoresinolin
PubChem CID: 157009759
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (+)-Pinoresinolin |
|---|---|
| Topological Polar Surface Area | 86.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | IABRXERCCIPDNL-IAEFTCJHSA-N |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 27.0 |
| Compound Name | (+)-Pinoresinolin |
| Description | (+)-pinoresinolin is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety (+)-pinoresinolin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-pinoresinolin can be found in burdock, which makes (+)-pinoresinolin a potential biomarker for the consumption of this food product. |
| Exact Mass | 374.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.137 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 489.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 374.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 4-[(6R,6aR)-6-(4-hydroxy-3-methoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H22O7/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)27-12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13?,14-,19?,20+/m0/s1 |
| Smiles | COC1=C(C=CC(=C1)C2C3CO[C@@H]([C@H]3CO2)OC4=CC(=C(C=C4)O)OC)O |
| Xlogp | 2.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H22O7 |
- 1. Outgoing r'ship
FOUND_INto/from Arctium Lappa (Plant) Rel Props:Source_db:fooddb_chem_all