1,6-Dihydroxy-2,8-dimethoxy-9H-xanthen-9-one
PubChem CID: 5465786
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| Compound Synonyms | NSC661741, 1,8-dimethoxyxanthone, 1,6-Dihydroxy-2,8-dimethoxy-9H-xanthen-9-one, 1,6-Dihydroxy-2,8-dimethoxyxanthone, NSC-661741, 1,6-dihydroxy-2,8-dimethoxy-xanthen-9-one |
|---|---|
| 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 | 1,6-dihydroxy-2,8-dimethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LARCBAABNQDTGH-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -5.704 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.022 |
| Compound Name | 1,6-Dihydroxy-2,8-dimethoxy-9H-xanthen-9-one |
| 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 | -4.061214333333334 |
| Inchi | InChI=1S/C15H12O6/c1-19-9-4-3-8-13(14(9)17)15(18)12-10(20-2)5-7(16)6-11(12)21-8/h3-6,16-17H,1-2H3 |
| Smiles | COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=CC(=C3)O)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Ascyron (Plant) Rel Props:Source_db:cmaup_ingredients