Tetramethylquercetin 3-rutinoside
PubChem CID: 74978435
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| Compound Synonyms | Tetramethylquercetin 3-rutinoside, CHEBI:187359, 4-Ethoxy-1-(1-naphthyl)-2-Imidazolidinone, 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
|---|---|
| Topological Polar Surface Area | 222.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Inchi Key | MEJNXDYVXPUWEN-UHFFFAOYSA-N |
| Rotatable Bond Count | 10.0 |
| Synonyms | 3',4',5,7-Tetramethoxy-4-hydroxyflavone 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside], 3',4',5,7-Tetramethylquercetin 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside], 3',4',5,7-Tetramethylquercetin 3-rutinoside, 4-Ethoxy-1-(1-naphthyl)-2-imidazolidinone, 4-Ethoxy-3-(1-naphthyl)-2-imidazolidone, Quercetin 5,7,3',4'-tetramethyl ether 3-rutinoside, Tetramethylquercetin 3-rutinoside |
| Heavy Atom Count | 47.0 |
| Compound Name | Tetramethylquercetin 3-rutinoside |
| Description | Isolated from tartary buckwheat (Fagopyrum tataricum) leaves. Tetramethylquercetin 3-rutinoside is found in tartary buckwheat and cereals and cereal products. |
| Exact Mass | 666.216 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 666.216 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1090.0 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 666.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C31H38O16/c1-12-21(32)24(35)26(37)30(44-12)43-11-19-22(33)25(36)27(38)31(46-19)47-29-23(34)20-17(42-5)9-14(39-2)10-18(20)45-28(29)13-6-7-15(40-3)16(8-13)41-4/h6-10,12,19,21-22,24-27,30-33,35-38H,11H2,1-5H3 |
| Smiles | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=C(C3=O)C(=CC(=C4)OC)OC)C5=CC(=C(C=C5)OC)OC)O)O)O)O)O)O |
| Xlogp | -0.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C31H38O16 |
- 1. Outgoing r'ship
FOUND_INto/from Fagopyrum Tataricum (Plant) Rel Props:Source_db:fooddb_chem_all