Aloperin
PubChem CID: 45358106
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| Compound Synonyms | Aloperin, 56293-29-9, AKOS015965265, AC-20179, AC-34344 |
|---|---|
| Topological Polar Surface Area | 15.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Is Pains | False |
| Molecular Formula | C15H24N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SKOLRLSBMUGVOY-KBUZWXASSA-N |
| Fcsp3 | 0.8666666666666667 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Aloperin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.194 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 232.194 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2824001999999997 |
| Inchi | InChI=1S/C15H24N2/c1-2-7-17-10-13-9-12(14(17)5-1)8-11-4-3-6-16-15(11)13/h8,12-16H,1-7,9-10H2/t12?,13-,14-,15-/m1/s1 |
| Smiles | C1CCN2C[C@H]3CC([C@H]2C1)C=C4[C@H]3NCCC4 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients