7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone
PubChem CID: 14162686
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone, LMPK12111496, 7-hydroxy-5,6,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one, 119153-15-0 |
|---|---|
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 637.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-5,6,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C20H18O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CGTBQRCRPZRVCN-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.521 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.694 |
| Compound Name | 7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 402.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 402.095 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 402.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5027768620689663 |
| Inchi | InChI=1S/C20H18O9/c1-23-12-5-9(6-13-16(12)28-8-27-13)11-7-10(21)14-17(24-2)19(25-3)15(22)20(26-4)18(14)29-11/h5-7,22H,8H2,1-4H3 |
| Smiles | COC1=CC(=CC2=C1OCO2)C3=CC(=O)C4=C(O3)C(=C(C(=C4OC)OC)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adiantum Sulphureum (Plant) Rel Props:Source_db:cmaup_ingredients