5,8,2'-Trihydroxy-6,7-dimethoxyflavone
PubChem CID: 156993
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5,8,2'-Trihydroxy-6,7-dimethoxyflavone, 77056-21-4, 4H-1-Benzopyran-4-one, 5,8-dihydroxy-2-(2-hydroxyphenyl)-6,7-dimethoxy-, DTXSID80227854, LMPK12111424 |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 505.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-2-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C17H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BYGRZBWUKYXRHL-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.665 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.329 |
| Compound Name | 5,8,2'-Trihydroxy-6,7-dimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 330.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3297437333333333 |
| Inchi | InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-5-3-4-6-9(8)18)24-15(12)14(21)17(16)23-2/h3-7,18,20-21H,1-2H3 |
| Smiles | COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients