dioncoquinone E
PubChem CID: 56933878
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| Compound Synonyms | dioncoquinone E, CHEMBL1915217 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 426.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,6,8-trihydroxy-7-methoxy-3-methylnaphthalene-1,2-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C12H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WNJIENMGGRLDHV-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.107 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.098 |
| Compound Name | dioncoquinone E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 250.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5106438666666664 |
| Inchi | InChI=1S/C12H10O6/c1-4-8(14)5-3-6(13)12(18-2)11(17)7(5)10(16)9(4)15/h3,13-14,17H,1-2H3 |
| Smiles | CC1=C(C2=CC(=C(C(=C2C(=O)C1=O)O)OC)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Triphyophyllum Peltatum (Plant) Rel Props:Source_db:cmaup_ingredients