4',7-Di-O-methylcatechin
PubChem CID: 67233966
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| Compound Synonyms | 4',7-Di-O-methylcatechin, SCHEMBL1975181, CHEBI:168455, 3,3',5-Trihydroxy-4',7-dimethoxyflavan, 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol |
|---|---|
| Topological Polar Surface Area | 88.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | MWTVZZZJXLZCEN-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | 3,3',5-Trihydroxy-4',7-dimethoxyflavan, 4',7-Di-O-methylcatechin, 4',7-Dimethylcatechin, Catechin 7,4'-dimethyl ether |
| Heavy Atom Count | 23.0 |
| Compound Name | 4',7-Di-O-methylcatechin |
| Description | Constituent of Chinese cinnamon (Cinnamomum cassia). 4',7-Dimethylcatechin is found in chinese cinnamon and herbs and spices. |
| Exact Mass | 318.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.11 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 391.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 318.32 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C17H18O6/c1-21-10-6-12(18)11-8-14(20)17(23-16(11)7-10)9-3-4-15(22-2)13(19)5-9/h3-7,14,17-20H,8H2,1-2H3 |
| Smiles | COC1=C(C=C(C=C1)C2C(CC3=C(C=C(C=C3O2)OC)O)O)O |
| Xlogp | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H18O6 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Cassia (Plant) Rel Props:Source_db:fooddb_chem_all