6-C-Methylmyricetin 3,4'-dimethyl ether
PubChem CID: 44259716
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| Compound Synonyms | 6-C-Methylmyricetin 3,4'-dimethyl ether, 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-methoxy-6-methylchromen-4-one, CHEBI:193406, LMPK12112787, 69935-14-4 |
|---|---|
| Topological Polar Surface Area | 126.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 564.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-methoxy-6-methylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C18H16O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PDQBGPYEIJEFRK-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.562 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.222 |
| Compound Name | 6-C-Methylmyricetin 3,4'-dimethyl 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 | -3.748856215384616 |
| Inchi | InChI=1S/C18H16O8/c1-7-9(19)6-12-13(14(7)22)15(23)18(25-3)16(26-12)8-4-10(20)17(24-2)11(21)5-8/h4-6,19-22H,1-3H3 |
| Smiles | CC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)O)OC)O)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