Megistoquinone I
PubChem CID: 10377838
Connections displayed (default: 10).
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| Compound Synonyms | Megistoquinone I, 4,7-dimethoxyfuro[2,3-b]quinoline-5,8-dione, 4,7-dimethoxyfuro(2,3-b)quinoline-5,8-dione, 449732-09-6 |
|---|---|
| Topological Polar Surface Area | 78.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 446.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7-dimethoxyfuro[2,3-b]quinoline-5,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C13H9NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OZZADBLNBUOXLV-UHFFFAOYSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -3.845 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.937 |
| Compound Name | Megistoquinone I |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 259.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 259.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 259.209 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.673671715789473 |
| Inchi | InChI=1S/C13H9NO5/c1-17-8-5-7(15)9-10(11(8)16)14-13-6(3-4-19-13)12(9)18-2/h3-5H,1-2H3 |
| Smiles | COC1=CC(=O)C2=C(C1=O)N=C3C(=C2OC)C=CO3 |
| Nring | 3.0 |
| 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