5,8-Dihydroxy-6,7-dimethoxyflavone
PubChem CID: 153441
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| Compound Synonyms | 5,8-Dihydroxy-6,7-dimethoxyflavone, 73202-52-5, 6,7-Dimethoxy-5,8-dihydroxy flavone, 5,8-dihydroxy-6,7-dimethoxy-2-phenylchromen-4-one, 5,8-Dihydroxy-6,7-dimethoxy-2-phenyl-4H-chromen-4-one, SCHEMBL8160531, DTXSID20223451, YCA20252, HY-N12371, LMPK12111431, AKOS030557619, DA-49792, CS-0899385 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 470.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-6,7-dimethoxy-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RXSYNUMMIWXLLC-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.787 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.552 |
| Compound Name | 5,8-Dihydroxy-6,7-dimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.472499208695652 |
| Inchi | InChI=1S/C17H14O6/c1-21-16-13(19)12-10(18)8-11(9-6-4-3-5-7-9)23-15(12)14(20)17(16)22-2/h3-8,19-20H,1-2H3 |
| Smiles | COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lannea Grandis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Scutellaria Balcalensis (Plant) Rel Props:Source_db:npass_chem_all