Slaframine
PubChem CID: 88363
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| Compound Synonyms | Slaframine, 20084-93-9, (1S,6S,8aS)-1-Acetoxy-6-aminooctahydroindolizine, [(1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate, 51H2386GWI, DTXSID50942108, UNII-51H2386GWI, SCHEMBL1097317, A814619, Q1277175, (1S-(1alpha,6alpha,8abeta))-6-Aminooctahydro-1-indolizinol, acetate (ester), [(1S,6S,8aS)-6-azanyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] ethanoate, acetic acid [(1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] ester |
|---|---|
| Topological Polar Surface Area | 55.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C10H18N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YYIUHLPAZILPSG-GUBZILKMSA-N |
| Fcsp3 | 0.9 |
| Logs | -0.198 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.24 |
| Compound Name | Slaframine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 198.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.137 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 198.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9623988 |
| Inchi | InChI=1S/C10H18N2O2/c1-7(13)14-10-4-5-12-6-8(11)2-3-9(10)12/h8-10H,2-6,11H2,1H3/t8-,9-,10-/m0/s1 |
| Smiles | CC(=O)O[C@H]1CCN2[C@H]1CC[C@@H](C2)N |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trifolium Repens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all