6,8-Di-C-methylmyricetin 3-methyl ether
PubChem CID: 44259708
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| Compound Synonyms | 6,8-Di-C-methylmyricetin 3-methyl ether, LMPK12112778, 5,7-dihydroxy-3-methoxy-6,8-dimethyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one, 95905-79-6 |
|---|---|
| Topological Polar Surface Area | 137.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 578.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-methoxy-6,8-dimethyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.9 |
| Molecular Formula | C18H16O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CGKAZAIWHLDXML-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.517 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.539 |
| Compound Name | 6,8-Di-C-methylmyricetin 3-methyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 360.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.085 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 360.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8400562153846156 |
| Inchi | InChI=1S/C18H16O8/c1-6-12(21)7(2)16-11(13(6)22)15(24)18(25-3)17(26-16)8-4-9(19)14(23)10(20)5-8/h4-5,19-23H,1-3H3 |
| Smiles | CC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C(=C3)O)O)O)OC)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Physalis Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients