5,8-Dihydroxy-3,7-dimethoxyflavone
PubChem CID: 44259913
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| Compound Synonyms | Isognaphaliin, 5,8-Dihydroxy-3,7-dimethoxyflavone, 33803-31-5, LMPK12113092 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 481.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-3,7-dimethoxy-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FIERIMLAOJMXIK-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.893 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.623 |
| Compound Name | 5,8-Dihydroxy-3,7-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 | -3.7370992086956525 |
| Inchi | InChI=1S/C17H14O6/c1-21-11-8-10(18)12-14(20)17(22-2)15(23-16(12)13(11)19)9-6-4-3-5-7-9/h3-8,18-19H,1-2H3 |
| Smiles | COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC=CC=C3)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Helleborus Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Phonus Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Smilax Aspera (Plant) Rel Props:Source_db:cmaup_ingredients