1,7-Dihydroxy-2,3-dimethoxyxanthone
PubChem CID: 10039726
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| Compound Synonyms | 1,7-dihydroxy-2,3-dimethoxyxanthone, 78405-33-1, 1,7-DIHYDROXY-2,3-DIMETHOXYXANTHEN-9-ONE, 9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy-, 1,7-DIHYDROXY-2,3-DIMETHOXY-9H-XANTHEN-9-ONE, DTXSID60434640, HY-N9269, AKOS030562649, DA-69416, CS-0159143 |
|---|---|
| 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 | 1,7-dihydroxy-2,3-dimethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BLXIZCDWQXDWQF-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -5.008 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.338 |
| Compound Name | 1,7-Dihydroxy-2,3-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 | -4.061214333333334 |
| Inchi | InChI=1S/C15H12O6/c1-19-11-6-10-12(14(18)15(11)20-2)13(17)8-5-7(16)3-4-9(8)21-10/h3-6,16,18H,1-2H3 |
| Smiles | COC1=C(C(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygala Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients