megistonine II
PubChem CID: 10780037
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Megistonine II, methyl 7-hydroxy-3,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxylate, Methyl 7-hydroxy-3,8-dimethoxy-1-methyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid, 321553-09-7 |
|---|---|
| Topological Polar Surface Area | 85.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 474.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 7-hydroxy-3,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C14H15NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GDRXLMOCTOXTBV-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.221 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.427 |
| Compound Name | megistonine II |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 293.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 293.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 293.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.378385952380952 |
| Inchi | InChI=1S/C14H15NO6/c1-15-9-7(5-6-8(16)12(9)19-2)11(17)13(20-3)10(15)14(18)21-4/h5-6,16H,1-4H3 |
| Smiles | CN1C2=C(C=CC(=C2OC)O)C(=O)C(=C1C(=O)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Mannii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Galium Aparine (Plant) Rel Props:Source_db:cmaup_ingredients