| Compound | N-n-octanoylnornicotine |
| NPACT-Id | NPACT00816 |
| IUPAC | 1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one |
| Synonyms | N-Octanoylnornicotine; N-8nornic |
| PubChem Id | 162334 |
| Class | Alkaloids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | CYP19A1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | KEQBTQJDZSZAMQ-INIZCTEOSA-N |
| InChi | 1S/C17H26N2O/c1-2-3-4-5-6-11-17(20)19-13-8-10-16(19)15-9-7-12-18-14-15/h7,9,12,14,16H,2-6,8,10-11,13H2,1H3/t16-/m0/s1 |
| SMILES | O=C(N1[C@@H](CCC1)c1cccnc1)CCCCCCC |
|
SMART | [H]C1=NC([H])=C(C([H])=C1[H])[C@@]1([H])N(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H] |
| CAS No. | 38854-10-3 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C074420 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |