5,6-Dimethoxy-2-(2',5',6'-trimethoxyphenyl)-1h-quinolin-4-one
PubChem CID: 11132423
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| Compound Synonyms | 5,6-dimethoxy-2-(2',5',6'-trimethoxyphenyl)-1h-quinolin-4-one |
|---|---|
| Topological Polar Surface Area | 75.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 553.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,6-dimethoxy-2-(2,3,6-trimethoxyphenyl)-1H-quinolin-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C20H21NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DRMUWMGSSNYPKK-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.252 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.298 |
| Compound Name | 5,6-Dimethoxy-2-(2',5',6'-trimethoxyphenyl)-1h-quinolin-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 371.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 371.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 371.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.9445303185185185 |
| Inchi | InChI=1S/C20H21NO6/c1-23-14-8-9-16(25-3)20(27-5)18(14)12-10-13(22)17-11(21-12)6-7-15(24-2)19(17)26-4/h6-10H,1-5H3,(H,21,22) |
| Smiles | COC1=C(C(=C(C=C1)OC)OC)C2=CC(=O)C3=C(N2)C=CC(=C3OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Amomum Reticulatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Caralluma Russeliana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Casimiroa Edulis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Dalbergia Monetaria (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Espeletiopsis Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Helianthus Californicus (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Plectranthus Hereroensis (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Polypodium Aureum (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Spiraea Prunifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Ursinia Anthemoides (Plant) Rel Props:Source_db:cmaup_ingredients