7-Hydroxy-6-methoxy-3-(6-methoxy-2-oxochromen-7-yl)oxychromen-2-one
PubChem CID: 46185598
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL1088582 |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 686.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-6-methoxy-3-(6-methoxy-2-oxochromen-7-yl)oxychromen-2-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Is Pains | False |
| Molecular Formula | C20H14O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DBMXZBRRYCUSNN-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 7-Hydroxy-6-methoxy-3-(6-methoxy-2-oxochromen-7-yl)oxychromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.069 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 382.069 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 382.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5064802285714296 |
| Inchi | InChI=1S/C20H14O8/c1-24-15-6-11-7-18(20(23)28-13(11)8-12(15)21)26-17-9-14-10(5-16(17)25-2)3-4-19(22)27-14/h3-9,21H,1-2H3 |
| Smiles | COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3=CC4=CC(=C(C=C4OC3=O)O)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erycibe Hainanesis (Plant) Rel Props:Source_db:cmaup_ingredients