5,7-Dihydroxy-8,2'-dimethoxyflavone
PubChem CID: 13889021
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| Compound Synonyms | 5,7-dihydroxy-8,2'-dimethoxyflavone, 95480-81-2, CHEMBL549356, SCHEMBL5163180, DTXSID201295086, LMPK12111305, 5,7-Dihydroxy-8,2a(2)-dimethoxyflavone, 5,7-dihydroxy-8-methoxy-2-(2-methoxyphenyl)chromen-4-one |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | YHZJRFKTTMDPDF-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Compound Name | 5,7-Dihydroxy-8,2'-dimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-8-methoxy-2-(2-methoxyphenyl)chromen-4-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.472499208695652 |
| Inchi | InChI=1S/C17H14O6/c1-21-13-6-4-3-5-9(13)14-8-11(19)15-10(18)7-12(20)16(22-2)17(15)23-14/h3-8,18,20H,1-2H3 |
| Smiles | COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC |
| Xlogp | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H14O6 |
- 1. Outgoing r'ship
FOUND_INto/from Scutellaria Lateriflora (Plant) Rel Props:Source_db:cmaup_ingredients