6,7-Dimethoxy-2-(2,3,4-trimethoxyphenyl)chromen-4-one
PubChem CID: 162990536
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| Topological Polar Surface Area | 72.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 548.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7-dimethoxy-2-(2,3,4-trimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C20H20O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HDBYLRLXZAWUBT-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.269 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.066 |
| Compound Name | 6,7-Dimethoxy-2-(2,3,4-trimethoxyphenyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 372.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 372.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 372.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6087311185185196 |
| Inchi | InChI=1S/C20H20O7/c1-22-14-7-6-11(19(25-4)20(14)26-5)15-9-13(21)12-8-17(23-2)18(24-3)10-16(12)27-15/h6-10H,1-5H3 |
| Smiles | COC1=C(C(=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3O2)OC)OC)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hibiscus Mutabilis (Plant) Rel Props:Source_db:cmaup_ingredients