Isoskimmianine
PubChem CID: 621199
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Isoskimmianine, 7,8-dimethoxy-9-methylfuro[2,3-b]quinolin-4-one, Furo[2,3-b]quinolin-4(9H)-one, 7,8-dimethoxy-9-methyl-, 7,8-dimethoxy-9-methylfuro(2,3-b)quinolin-4-one, Furo(2,3-b)quinolin-4(9H)-one, 7,8-dimethoxy-9-methyl-, Oprea1_266590, 436-14-6, 7,8-Dimethoxy-9-methylfuro[2,3-b]quinolin-4(9H)-one, AG-690/10110064, 7,8-Dimethoxy-9-methylfuro[2,3-b]quinolin-4(9H)-one # |
|---|---|
| Topological Polar Surface Area | 51.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,8-dimethoxy-9-methylfuro[2,3-b]quinolin-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C14H13NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LPUGGFROWXFRHP-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.71 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.251 |
| Compound Name | Isoskimmianine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 259.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 259.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 259.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.020433989473684 |
| Inchi | InChI=1S/C14H13NO4/c1-15-11-8(4-5-10(17-2)13(11)18-3)12(16)9-6-7-19-14(9)15/h4-7H,1-3H3 |
| Smiles | CN1C2=C(C=CC(=C2OC)OC)C(=O)C3=C1OC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Austriaca (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chrysolaena Propinqua (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Daphne Blagayana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Digitalis Obscura (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Erythrina Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Lotus Villosus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Mesua Elegans (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Michelia Rajaniana (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Onychopetalum Amazonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Stevia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Vernonia Tufnellae (Plant) Rel Props:Source_db:cmaup_ingredients