6,8-Dimethylisogenistein
PubChem CID: 70697886
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6,8-dimethylisogenistein, CHEBI:67377, DTXSID301159752, 5,7,2'-trihydroxy-6,8-dimethylisoflavone, Q27135836, 5,7-dihydroxy-3-(2-hydroxyphenyl)-6,8-dimethyl-4H-chromen-4-one, 5,7-Dihydroxy-3-(2-hydroxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-one, 1303568-40-2 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 474.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-(2-hydroxyphenyl)-6,8-dimethylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C17H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VYFQDBFEAYEXCL-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.268 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.287 |
| Compound Name | 6,8-Dimethylisogenistein |
| 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 | -3.805904618181818 |
| Inchi | InChI=1S/C17H14O5/c1-8-14(19)9(2)17-13(15(8)20)16(21)11(7-22-17)10-5-3-4-6-12(10)18/h3-7,18-20H,1-2H3 |
| Smiles | CC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=CC=CC=C3O)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pisonia Aculeata (Plant) Rel Props:Source_db:cmaup_ingredients