1-Hydroxy-2,4-dimethoxyxanthen-9-one
PubChem CID: 85807818
Connections displayed (default: 10).
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | XYDMKISPXKYQOC-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Compound Name | 1-Hydroxy-2,4-dimethoxyxanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-2,4-dimethoxyxanthen-9-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.2134872 |
| Inchi | InChI=1S/C15H12O5/c1-18-10-7-11(19-2)15-12(14(10)17)13(16)8-5-3-4-6-9(8)20-15/h3-7,17H,1-2H3 |
| Smiles | COC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3O2)OC |
| Xlogp | 3.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H12O5 |
- 1. Outgoing r'ship
FOUND_INto/from Isodon Setschwanensis (Plant) Rel Props:Source_db:cmaup_ingredients