2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
PubChem CID: 14332897
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, 4'-o-methylepicatechin, SCHEMBL348595, 3,3',5,7-Tetrahydroxy-4'-methoxyflavan |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | ZHDMPVIDHWJGTN-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | 3,3',5,7-Tetrahydroxy-4'-methoxyflavan, 4'-Methylcatechin, 4'-O-Methylcatechin, Catechin 4'-methyl ether |
| Heavy Atom Count | 22.0 |
| Compound Name | 2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Description | Constituent of Chinese cinnamon (Cinnamomum cassia). 4'-Methylcatechin is found in chinese cinnamon and herbs and spices. |
| Exact Mass | 304.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.095 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 378.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 304.29 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3 |
| Smiles | COC1=C(C=C(C=C1)C2C(CC3=C(C=C(C=C3O2)O)O)O)O |
| Xlogp | 0.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H16O6 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Cassia (Plant) Rel Props:Source_db:fooddb_chem_all