4,8-Dihydroxy-2,7-di-methoxy-xanthene-9-one
PubChem CID: 71414855
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| Compound Synonyms | 4,8-dihydroxy-2,7-di-methoxy-xanthene-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 | 1,5-dihydroxy-2,7-dimethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WSUCDCNZSGRGSF-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.558 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.458 |
| Compound Name | 4,8-Dihydroxy-2,7-di-methoxy-xanthene-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/c1-19-7-5-8-13(17)12-10(21-15(8)9(16)6-7)3-4-11(20-2)14(12)18/h3-6,16,18H,1-2H3 |
| Smiles | COC1=C(C2=C(C=C1)OC3=C(C2=O)C=C(C=C3O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients