2,6,8-Trihydroxy-1-methoxyxanthone
PubChem CID: 5322072
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| Compound Synonyms | NSC661744, 2,6,8-trihydroxy-1-methoxyxanthone, 2,8-trihydroxy-1-methoxyxanthone, 1,3,7-trihydroxy-8-methoxyxanthone, NSC-661744, 2,6,8-trihydroxy-1-methoxy-xanthen-9-one, 2,6,8-Trihydroxy-1-methoxy-9H-xanthen-9-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 386.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6,8-trihydroxy-1-methoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C14H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KTLFPSHTGDWZIW-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.415 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.295 |
| Compound Name | 2,6,8-Trihydroxy-1-methoxyxanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 274.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8570136 |
| Inchi | InChI=1S/C14H10O6/c1-19-14-7(16)2-3-9-12(14)13(18)11-8(17)4-6(15)5-10(11)20-9/h2-5,15-17H,1H3 |
| Smiles | COC1=C(C=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Swertia Calycina (Plant) Rel Props:Source_db:cmaup_ingredients