3,7-Dihydroxy-5,4'-dimethoxyflavone
PubChem CID: 44259527
Connections displayed (default: 10).
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| Compound Synonyms | 3,7-Dihydroxy-5,4'-dimethoxyflavone, LMPK12112540, 3,7-dihydroxy-5-methoxy-2-(4-methoxyphenyl)chromen-4-one, 33554-54-0 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 479.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dihydroxy-5-methoxy-2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SHSYFAIQGXUITD-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.756 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.669 |
| Compound Name | 3,7-Dihydroxy-5,4'-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 | -3.3905992086956527 |
| Inchi | InChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)17-16(20)15(19)14-12(22-2)7-10(18)8-13(14)23-17/h3-8,18,20H,1-2H3 |
| Smiles | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acalypha Australis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Andromeda Polifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Argyrochosma Pilifera (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Genista Lydia (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Gymnopetalum Integrifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Pteris Bella (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Scapania Bolanderi (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Trichilia Heudelotii (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Vincetoxicum Forrestii (Plant) Rel Props:Source_db:cmaup_ingredients