2-(3,4-Dimethoxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one
PubChem CID: 14055876
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| Compound Synonyms | 94303-31-8, 2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-4H-chromen-4-one, CHEMBL252339, SCHEMBL8069155, 5,6,3',4'-tetramethoxyflavone, DTXSID20555143, 3',4',5,6-tetramethoxy flavone, 5,6,3', 4'-Tetramethoxyflavone, 2-(3,4-Dimethoxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-5,6-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C19H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KFMFKHCKPGKKNV-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.602 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.799 |
| Compound Name | 2-(3,4-Dimethoxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one |
| 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/c1-21-13-6-5-11(9-17(13)23-3)16-10-12(20)18-14(25-16)7-8-15(22-2)19(18)24-4/h5-10H,1-4H3 |
| Smiles | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kopsia Profunda (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Tropaeolum Majus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all