Myricetin 3,4'-dimethyl ether
PubChem CID: 44259718
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| Compound Synonyms | Myricetin 3,4'-dimethyl ether, CHEBI:70004, 5,7,3',5'-tetrahydroxy-3,4'-dimethyoxyflavone, 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one, 3,4'-O-dimethylmyricetin, CHEMBL1689268, LMPK12112789, Q27138347, 71325-90-1 |
|---|---|
| Topological Polar Surface Area | 126.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 535.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O14763 |
| Iupac Name | 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C17H14O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MVJHAGLBHWPKLS-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.743 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.521 |
| Compound Name | Myricetin 3,4'-dimethyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 346.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.069 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 346.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4470042000000003 |
| Inchi | InChI=1S/C17H14O8/c1-23-16-10(20)3-7(4-11(16)21)15-17(24-2)14(22)13-9(19)5-8(18)6-12(13)25-15/h3-6,18-21H,1-2H3 |
| Smiles | COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Combretum Acuminatum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Combretum Albidum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Combretum Caffrum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Combretum Indicum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Combretum Latifolium (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Combretum Nanum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Combretum Quadrangulare (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Combretum Roxburghii (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Combretum Yunnanensis (Plant) Rel Props:Reference: