1-Hydroxy-2,3,4,6-tetramethoxyxanthone
PubChem CID: 11522801
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| Compound Synonyms | 1-hydroxy-2,3,4,6-tetramethoxyxanthone |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-2,3,4,6-tetramethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IBYBLYYHWGTQGI-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.686 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.519 |
| Compound Name | 1-Hydroxy-2,3,4,6-tetramethoxyxanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 332.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.329676266666666 |
| Inchi | InChI=1S/C17H16O7/c1-20-8-5-6-9-10(7-8)24-14-11(12(9)18)13(19)15(21-2)17(23-4)16(14)22-3/h5-7,19H,1-4H3 |
| Smiles | COC1=CC2=C(C=C1)C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients