7-Hydroxy-3,5-dimethoxyflavone
PubChem CID: 44392177
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| Compound Synonyms | 7-hydroxy-3,5-dimethoxyflavone, CHEMBL183723, DTXSID601211664, 39869-03-9, 7-Hydroxy-3,5-dimethoxy-2-phenyl-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3,5-dimethoxy-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BUNIGAWIPPRWMH-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.747 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.992 |
| Compound Name | 7-Hydroxy-3,5-dimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5416046181818186 |
| Inchi | InChI=1S/C17H14O5/c1-20-12-8-11(18)9-13-14(12)15(19)17(21-2)16(22-13)10-6-4-3-5-7-10/h3-9,18H,1-2H3 |
| Smiles | COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC=CC=C3)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all