Swerilactone E
PubChem CID: 46209729
Connections displayed (default: 10).
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| Compound Synonyms | Swerilactone E, 1,2,8,9-tetrahydroisochromeno[7,6-f]isochromene-4,11-dione, 1,2,8,9-Tetrahydro-4H,11H-isochromeno[7,6-f]isochromene-4,11-dione |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,8,9-tetrahydroisochromeno[7,6-f]isochromene-4,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C16H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CVBDZCCAXNLBFQ-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -6.536 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.302 |
| Compound Name | Swerilactone E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 268.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7317616 |
| Inchi | InChI=1S/C16H12O4/c17-15-12-2-1-9-7-10-3-5-19-16(18)14(10)8-13(9)11(12)4-6-20-15/h1-2,7-8H,3-6H2 |
| Smiles | C1COC(=O)C2=C1C=C3C=CC4=C(C3=C2)CCOC4=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leontice Leontopetalum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Swertia Leducii (Plant) Rel Props:Source_db:cmaup_ingredients