5,7-Dimethoxy-3-hydroxyflavone
PubChem CID: 14606540
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| Compound Synonyms | 3-Hydroxy-5,7-dimethoxyflavone, 5,7-DIMETHOXY-3-HYDROXYFLAVONE, Galangin 5,7-dimethyl ether, 15236-07-4, Galangin-5,7-dimethyl ether, CPYJUQBXJXCLAY-UHFFFAOYSA-N, LMPK12111658, NSC792751, NSC-792751, XH183012, NS00116659, 4H-1-Benzopyran-4-one, 3-hydroxy-5,7-dimethoxy-2-phenyl- |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-5,7-dimethoxy-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C17H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CPYJUQBXJXCLAY-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.265 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.772 |
| Compound Name | 5,7-Dimethoxy-3-hydroxyflavone |
| 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/c1-20-11-8-12(21-2)14-13(9-11)22-17(16(19)15(14)18)10-6-4-3-5-7-10/h3-9,19H,1-2H3 |
| Smiles | COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Helleborus Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Phonus Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients