Quercetin 7,3',4'-trimethyl ether
PubChem CID: 5748558
Connections displayed (default: 10).
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| Compound Synonyms | 6068-80-0, Quercetin 7,3',4'-trimethyl ether, 3',4',7-TRIMETHOXYQUERCETIN, 3',4',7-Trimethylquercetin, 347TRIMETHOXYQUERCETIN, 3,5-Dihydroxy-7,3',4'-trimethoxyflavone, 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-one, 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one, CHEBI:70024, 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-Benzopyran-4-one, SCHEMBL1250547, CHEMBL1689343, DTXSID00976115, HY-N7641, LMPK12112658, Quercetin 3',4',7-trimethyl ether, 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-7-methoxy-, DA-49496, MS-25272, 3,5-dihydroxy-3',4',7-trimethoxyflavone, CS-0134915, G18089, Q27138366 |
|---|---|
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 532.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q28731 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C18H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OEEUHNAUMMATJT-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.923 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.658 |
| Compound Name | Quercetin 7,3',4'-trimethyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 344.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7971778 |
| Inchi | InChI=1S/C18H16O7/c1-22-10-7-11(19)15-14(8-10)25-18(17(21)16(15)20)9-4-5-12(23-2)13(6-9)24-3/h4-8,19,21H,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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