6,8-Di-C-methylmyricetin 3,4'-dimethyl ether
PubChem CID: 44259717
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| Compound Synonyms | 6,8-Di-C-methylmyricetin 3,4'-dimethyl ether, LMPK12112788, 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one, 69935-15-5 |
|---|---|
| Topological Polar Surface Area | 126.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 593.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C19H18O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NTCHNMYCUMBOPY-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.552 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.128 |
| Compound Name | 6,8-Di-C-methylmyricetin 3,4'-dimethyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 374.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 374.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.045757518518519 |
| Inchi | InChI=1S/C19H18O8/c1-7-13(22)8(2)16-12(14(7)23)15(24)19(26-4)17(27-16)9-5-10(20)18(25-3)11(21)6-9/h5-6,20-23H,1-4H3 |
| Smiles | CC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C(=C3)O)OC)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