6-C-Methylquercetin 3,7,3'-trimethyl ether
PubChem CID: 44259693
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| Compound Synonyms | 6-C-Methylquercetin 3,7,3'-trimethyl ether, LMPK12112748, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-6-methylchromen-4-one, 99339-48-7 |
|---|---|
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 560.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-6-methylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C19H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DHMDSOOMIYBNSO-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.139 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.659 |
| Compound Name | 6-C-Methylquercetin 3,7,3'-trimethyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 358.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0990298153846165 |
| Inchi | InChI=1S/C19H18O7/c1-9-12(23-2)8-14-15(16(9)21)17(22)19(25-4)18(26-14)10-5-6-11(20)13(7-10)24-3/h5-8,20-21H,1-4H3 |
| Smiles | CC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)OC)OC |
| 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