Swerilactone L, (rel)-
PubChem CID: 53483970
Connections displayed (default: 10).
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| Compound Synonyms | Swerilactone L, (rel)-, CHEBI:69296, Swerilactone L, CHEMBL1817919, Q27137638 |
|---|---|
| Topological Polar Surface Area | 69.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 421.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,3S)-3-methyl-1-(2-oxopropyl)-5,6-dihydro-1H-pyrano[3,4-c]pyran-4,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | -0.3 |
| Molecular Formula | C12H14O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YUSMWIJHTGHEPG-CBAPKCEASA-N |
| Fcsp3 | 0.5833333333333334 |
| Logs | -1.004 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.415 |
| Compound Name | Swerilactone L, (rel)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 238.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 238.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0149817999999993 |
| Inchi | InChI=1S/C12H14O5/c1-6(13)5-9-10-8(3-4-16-12(10)15)11(14)7(2)17-9/h7,9H,3-5H2,1-2H3/t7-,9-/m0/s1 |
| Smiles | C[C@H]1C(=O)C2=C([C@@H](O1)CC(=O)C)C(=O)OCC2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
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FOUND_INto/from Andrographis Macrobotrys (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Andrographis Nallamalayana (Plant) Rel Props:Reference: - 10. Outgoing r'ship
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FOUND_INto/from Swertia Leducii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 103. Outgoing r'ship
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FOUND_INto/from Zanthoxylum Ailanthoides (Plant) Rel Props:Reference: - 128. Outgoing r'ship
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FOUND_INto/from Zanthoxylum Tsihanimposa (Plant) Rel Props:Reference: - 170. Outgoing r'ship
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