Senkyunolide G
PubChem CID: 10013283
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| Compound Synonyms | Senkyunolide G, 94530-85-5, 3-Butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one, 3-Butyl-3-hydroxy-4,5-dihydroisobenzofuran-1(3H)-one, SCHEMBL10823272, HY-N1286, UDA53085, AKOS032949111, DA-57795, CS-0016690, G89245, B0005-477605 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 341.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C12H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JGIFAEPLZJPSHA-UHFFFAOYSA-N |
| Fcsp3 | 0.5833333333333334 |
| Logs | -3.148 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.923 |
| Compound Name | Senkyunolide G |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 208.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 208.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1490933999999995 |
| Inchi | InChI=1S/C12H16O3/c1-2-3-8-12(14)10-7-5-4-6-9(10)11(13)15-12/h4,6,14H,2-3,5,7-8H2,1H3 |
| Smiles | CCCCC1(C2=C(C=CCC2)C(=O)O1)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients