5,8-Dihydroxy-7,3',4'-trimethoxyflavone
PubChem CID: 18542126
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL7168992, 5,8-dihydroxy-7,3',4'-trimethoxyflavone |
|---|---|
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-5,8-dihydroxy-7-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C18H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WQCDSSUBTJIBOY-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -2.605 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.58 |
| Compound Name | 5,8-Dihydroxy-7,3',4'-trimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 344.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5388778000000007 |
| Inchi | InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-11(20)8-15(24-3)17(21)18(16)25-13/h4-8,20-21H,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Gaudichaudii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gentiana Makinoi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Metanarthecium Luteoviride (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Pandanus Tectorius (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Sarcococca Saligna (Plant) Rel Props:Source_db:cmaup_ingredients