5,7,4'-Tri-O-methylcatechin
PubChem CID: 67233312
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| Compound Synonyms | 5,7,4'-Tri-O-methylcatechin, 105330-59-4, 2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol, 4',5,7-Tri-O-methylcatechin, 3,3'-Dihydroxy-4',5,7-trimethoxyflavan, 2-(3-Hydroxy-4-methoxyphenyl)-5,7-dimethoxychroman-3-ol, (2R,3S)-3,4-DIHYDRO-2-(3-HYDROXY-4-METHOXYPHENYL)-5,7-DIMETHOXY-2H-1-BENZOPYRAN-3-OL, starbld0005268, SCHEMBL1973504, CHEBI:175243, FEA33059 |
|---|---|
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | WCBCDLSKTYUDDL-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 3,3'-Dihydroxy-4',5,7-trimethoxyflavan, 4',5,7-Tri-O-methylcatechin, 5,7,4'-Trimethylcatechin, Catechin 5,7,4'-trimethyl ether |
| Heavy Atom Count | 24.0 |
| Compound Name | 5,7,4'-Tri-O-methylcatechin |
| Description | Constituent of Chinese cinnamon (Cinnamomum cassia) and commercial rhubarb. 5,7,4'-Trimethylcatechin is found in chinese cinnamon, herbs and spices, and green vegetables. |
| Exact Mass | 332.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.126 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 332.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C18H20O6/c1-21-11-7-16(23-3)12-9-14(20)18(24-17(12)8-11)10-4-5-15(22-2)13(19)6-10/h4-8,14,18-20H,9H2,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)C2C(CC3=C(O2)C=C(C=C3OC)OC)O)O |
| Xlogp | 1.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C18H20O6 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Cassia (Plant) Rel Props:Source_db:fooddb_chem_all