Japonine
PubChem CID: 442915
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| Compound Synonyms | Japonine, 3,6-dimethoxy-1-methyl-2-phenylquinolin-4-one, 30426-61-0, C10699, AC1L9DMZ, CHEBI:6082, DTXSID90332004, 3,6-dimethoxy-1-methyl-2-phenyl-quinolin-4-one, Q27107035 |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 453.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6-dimethoxy-1-methyl-2-phenylquinolin-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C18H17NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XTBMLWZKNWXUHV-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.463 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.873 |
| Compound Name | Japonine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 295.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 295.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.795877418181818 |
| Inchi | InChI=1S/C18H17NO3/c1-19-15-10-9-13(21-2)11-14(15)17(20)18(22-3)16(19)12-7-5-4-6-8-12/h4-11H,1-3H3 |
| Smiles | CN1C2=C(C=C(C=C2)OC)C(=O)C(=C1C3=CC=CC=C3)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Orixa Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Petasites Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients