6-Hydroxy-1,2,3,7-tetramethoxy-9H-xanthen-9-one
PubChem CID: 71378875
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 64756-87-2, 6-hydroxy-1,2,3,7-tetramethoxyxanthone, 6-HYDROXY-1,2,3,7-TETRAMETHOXY-9H-XANTHEN-9-ONE, 6-HYDROXY-1,2,3,7-TETRAMETHOXYXANTHEN-9-ONE, 9H-Xanthen-9-one, 6-hydroxy-1,2,3,7-tetramethoxy-, DTXSID80801471, CHEBI:228321, AKOS030562773, CS-0149268 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-1,2,3,7-tetramethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C17H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MLDGGHTUGFLZII-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.171 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.373 |
| Compound Name | 6-Hydroxy-1,2,3,7-tetramethoxy-9H-xanthen-9-one |
| 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 | -3.983176266666667 |
| Inchi | InChI=1S/C17H16O7/c1-20-11-5-8-10(6-9(11)18)24-12-7-13(21-2)16(22-3)17(23-4)14(12)15(8)19/h5-7,18H,1-4H3 |
| Smiles | COC1=C(C=C2C(=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 Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all