5,7-Dimethoxy-4'-hydroxyflavone
PubChem CID: 161172
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| Compound Synonyms | 5,7-Dimethoxy-4'-hydroxyflavone, 16290-50-9, 2-(4-hydroxyphenyl)-5,7-dimethoxy-4h-chromen-4-one, 2-(4-hydroxyphenyl)-5,7-dimethoxychromen-4-one, 5,7-Dimethoxy-4/'-hydroxyflavone, 4'-hydroxy-5,7-dimethoxyflavone, DTXSID20167487, 4H-1-Benzopyran-4-one, 2-(4-hydroxyphenyl)-5,7-dimethoxy-, 5,7-Dmhf, 5,7-Dimethoxyapigenin, SCHEMBL311530, CHEMBL3288426, DTXCID1089978, 2-(4-hydroxyphenyl)-5,7-dimethoxy-chromen-4-one, Q61329131 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | ARICZLGTUHLTFQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Compound Name | 5,7-Dimethoxy-4'-hydroxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.084 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.29 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxyphenyl)-5,7-dimethoxychromen-4-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.2770046181818184 |
| Inchi | InChI=1S/C17H14O5/c1-20-12-7-15(21-2)17-13(19)9-14(22-16(17)8-12)10-3-5-11(18)6-4-10/h3-9,18H,1-2H3 |
| Smiles | COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=C(C=C3)O |
| Xlogp | 1.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H14O5 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Variegatum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cheilanthes Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Fadogia Agrestis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ostrya Carpinifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Stephania Dielsiana (Plant) Rel Props:Source_db:cmaup_ingredients