5,7-Dihydroxy-3,4',8-trimethoxyflavone
PubChem CID: 13916278
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| Compound Synonyms | 5,7-Dihydroxy-3,4',8-trimethoxyflavone, 1570-09-8, 5,7-dihydroxy-3,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one, 3,8,4'-Trimethylherbacetin, 5,7-Dihydroxy-3,8,4'-trimethoxyflavone, Herbacetin 3,8,4'-trimethyl ether, Flavone, 5,7-dihydroxy-3,4',8-trimethoxy-, 5,7-Dihydroxy-3,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 3,8,4'-Trimethylherbacetin, 3-O-Methylprudomestin, 5,7-Dihydroxy-3,8,4'-trimethoxyflavone, Herbacetin 3,8,4'-trimethyl ether, CHEMBL349895, DTXSID80552456, BAA57009, HY-N2661, LMPK12113162, AKOS015999055, DA-49788, FS-10433, CS-0023087, G77015, 5,7-Dihydroxy-3,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | RXQVMRRNRHSOTC-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Compound Name | 5,7-Dihydroxy-3,4',8-trimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.09 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 524.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 344.3 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.7971778 |
| Inchi | InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)15-18(24-3)14(21)13-11(19)8-12(20)16(23-2)17(13)25-15/h4-8,19-20H,1-3H3 |
| Smiles | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC |
| Xlogp | 3.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C18H16O7 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Conyza Stricta (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Coriaria Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Helleborus Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Larrea Tridentata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Phonus Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Plagiogyria Dunnii (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Smilax Aspera (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Sophora Mollis (Plant) Rel Props:Source_db:cmaup_ingredients