5,9-Dihydroxy-10-methoxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one
PubChem CID: 10641036
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| Compound Synonyms | 5,9-Dihydroxy-10-methoxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one, 5-O-2-Deprenylrheediaxanthone, CHEMBL4168428, 6H-Furo[2,3-c]xanthen-6-one, 1,2-dihydro-5,9-dihydroxy-10-methoxy-1,1,2-trimethyl- |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 548.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,9-dihydroxy-10-methoxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C19H18O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DWIBEITYHXOXGF-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -4.44 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.983 |
| Compound Name | 5,9-Dihydroxy-10-methoxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 342.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.2278514000000005 |
| Inchi | InChI=1S/C19H18O6/c1-8-19(2,3)14-12(24-8)7-11(21)13-15(22)9-5-6-10(20)17(23-4)16(9)25-18(13)14/h5-8,20-21H,1-4H3 |
| Smiles | CC1C(C2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC(=C4OC)O)O)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients