8-(2,3-Dihydroxy-3-methoxybutoxy)-4-methoxy-1-methylquinolin-2(1H)-one
PubChem CID: 16219364
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| Compound Synonyms | 2520-38-9, 8-(2,3-Dihydroxy-3-methoxybutoxy)-4-methoxy-1-methylquinolin-2(1H)-one, 8-(2,3-DIHYDROXY-3-METHOXYBUTOXY)-4-METHOXY-1-METHYLQUINOLIN-2-ONE, CHEMBL1257061, DTXSID70585157 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 88.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | COMTYGQAMQKQCJ-UHFFFAOYSA-N |
| Fcsp3 | 0.4375 |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 23.0 |
| Compound Name | 8-(2,3-Dihydroxy-3-methoxybutoxy)-4-methoxy-1-methylquinolin-2(1H)-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 323.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 323.137 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 467.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 323.34 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(2,3-dihydroxy-3-methoxybutoxy)-4-methoxy-1-methylquinolin-2-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -2.835178130434783 |
| Inchi | InChI=1S/C16H21NO6/c1-16(20,22-4)13(18)9-23-11-7-5-6-10-12(21-3)8-14(19)17(2)15(10)11/h5-8,13,18,20H,9H2,1-4H3 |
| Smiles | CC(C(COC1=CC=CC2=C1N(C(=O)C=C2OC)C)O)(O)OC |
| Xlogp | 0.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H21NO6 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Astragalus Membranaceus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Haplophyllum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Litchi Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Sesamum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Trifolium Pratense (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:cmaup_ingredients