Solapalmatinine
PubChem CID: 54606486
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| Compound Synonyms | SOLAPALMATININE, Solapalmitenin, Solapalmitenine, 17232-86-9, DTXSID40714295, NSC123125, NSC-123125, (2Z)-N,N-Bis[4-(dimethylamino)butyl]hexadec-2-enamide, 2-Hexadecenamide,N-bis[4-(dimethylamino)butyl]-, (E)- |
|---|---|
| Topological Polar Surface Area | 26.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-N,N-bis[4-(dimethylamino)butyl]hexadec-2-enamide |
| Prediction Hob | 0.0 |
| Xlogp | 8.4 |
| Molecular Formula | C28H57N3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YYLJZOBXLHFBGQ-NKFKGCMQSA-N |
| Fcsp3 | 0.8928571428571429 |
| Logs | -4.503 |
| Rotatable Bond Count | 23.0 |
| Logd | 4.053 |
| Compound Name | Solapalmatinine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 451.45 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 451.45 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 451.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.374260800000002 |
| Inchi | InChI=1S/C28H57N3O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28(32)31(26-21-19-24-29(2)3)27-22-20-25-30(4)5/h18,23H,6-17,19-22,24-27H2,1-5H3/b23-18- |
| Smiles | CCCCCCCCCCCCC/C=C\C(=O)N(CCCCN(C)C)CCCCN(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Capsicastrum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Solanum Tripartitum (Plant) Rel Props:Source_db:cmaup_ingredients