Euscapholide
PubChem CID: 100956117
Connections displayed (default: 10).
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| Compound Synonyms | Euscapholide, AKOS040735309 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R)-2-[(2S)-2-hydroxypropyl]-2,3-dihydropyran-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C8H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AOPJIQXDBLPZDD-NKWVEPMBSA-N |
| Fcsp3 | 0.625 |
| Logs | -5.118 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.839 |
| Compound Name | Euscapholide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 156.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 156.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2118221999999998 |
| Inchi | InChI=1S/C8H12O3/c1-6(9)5-7-3-2-4-8(10)11-7/h2,4,6-7,9H,3,5H2,1H3/t6-,7+/m0/s1 |
| Smiles | C[C@@H](C[C@H]1CC=CC(=O)O1)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euscaphis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients