6,7,3',4'-Tetramethoxyflavone
PubChem CID: 315709
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| Compound Synonyms | 6,7,3',4'-Tetramethoxyflavone, 76622-27-0, NSC 241354, 2-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-, NSC241354, CHEMBL453540, DTXSID90311339, NVTJLSRVWFAVPB-UHFFFAOYSA-N, FLAVONE,4',6,7-TETRAMETHOXY, NSC-241354 |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 504.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C19H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NVTJLSRVWFAVPB-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -5.085 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.84 |
| Compound Name | 6,7,3',4'-Tetramethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5425514000000007 |
| Inchi | InChI=1S/C19H18O6/c1-21-14-6-5-11(7-17(14)22-2)15-9-13(20)12-8-18(23-3)19(24-4)10-16(12)25-15/h5-10H,1-4H3 |
| Smiles | COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3O2)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Palaestina (Plant) Rel Props:Source_db:cmaup_ingredients