Swerilactone F
PubChem CID: 46209730
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| Compound Synonyms | Swerilactone F, 1,2,5,6,8,9-hexahydroisochromeno[7,6-f]isochromene-4,11-dione, 1,2,5,6,8,9-Hexahydro-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 | 493.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,5,6,8,9-hexahydroisochromeno[7,6-f]isochromene-4,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CACOEDMTMUFXDB-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Logs | -6.217 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.529 |
| Compound Name | Swerilactone F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0292607999999994 |
| Inchi | InChI=1S/C16H14O4/c17-15-12-2-1-9-7-10-3-5-19-16(18)14(10)8-13(9)11(12)4-6-20-15/h7-8H,1-6H2 |
| Smiles | C1CC2=C(CCOC2=O)C3=CC4=C(CCOC4=O)C=C31 |
| 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