2,3,4,5,6-Pentamethoxyxanthone
PubChem CID: 12083117
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| Compound Synonyms | 2,3,4,5,6-pentamethoxyxanthone, SCHEMBL7231294 |
|---|---|
| Topological Polar Surface Area | 72.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 470.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,4,5,6-pentamethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C18H18O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BWKQXFDVRHEEGM-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -3.95 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.535 |
| Compound Name | 2,3,4,5,6-Pentamethoxyxanthone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 346.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 346.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.188477 |
| Inchi | InChI=1S/C18H18O7/c1-20-11-7-6-9-13(19)10-8-12(21-2)17(23-4)18(24-5)15(10)25-14(9)16(11)22-3/h6-8H,1-5H3 |
| Smiles | COC1=C(C2=C(C=C1)C(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC |
| 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