5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone
PubChem CID: 25059037
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| Compound Synonyms | 5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone, LMPK12112751, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-6,8-dimethylchromen-4-one, 99339-46-5 |
|---|---|
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 589.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-6,8-dimethylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C20H20O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTLJJJSGZVZCGB-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -7.28 |
| Rotatable Bond Count | 4.0 |
| Logd | 5.472 |
| Compound Name | 5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 372.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 372.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 372.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.395931118518519 |
| Inchi | InChI=1S/C20H20O7/c1-9-15(22)14-16(23)20(26-5)19(27-18(14)10(2)17(9)25-4)11-6-7-12(21)13(8-11)24-3/h6-8,21-22H,1-5H3 |
| Smiles | CC1=C(C2=C(C(=C1OC)C)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)OC)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