3,6-Dihydroxy-1,7-dimethoxyxanthone
PubChem CID: 101010505
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| Compound Synonyms | 3,6-Dihydroxy-1,7-dimethoxyxanthone, 262292-34-2, 3,6-dihydroxy-1,7-dimethoxyxanthen-9-one, 3,6-Dihydroxy-1,7-dimethoxy-9H-xanthen-9-one, starbld0014357, MKA29234, AKOS040761077 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 400.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6-dihydroxy-1,7-dimethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C15H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TZVWXRWZFWCCDO-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.41 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.508 |
| Compound Name | 3,6-Dihydroxy-1,7-dimethoxyxanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 288.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7147143333333332 |
| Inchi | InChI=1S/C15H12O6/c1-19-11-5-8-10(6-9(11)17)21-13-4-7(16)3-12(20-2)14(13)15(8)18/h3-6,16-17H,1-2H3 |
| Smiles | COC1=CC(=CC2=C1C(=O)C3=CC(=C(C=C3O2)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Ascyron (Plant) Rel Props:Source_db:cmaup_ingredients