2-Hexadecenoic acid; (E)-form, Pyrrolidide
AlkaPlorer ID: AK300280
Synonym: N-(2-Hexadecenoyl)pyrrolidine, 2-Hexadecenoic acid pyrrolidide
IUPAC Name: (E)-1-pyrrolidin-1-ylhexadec-2-en-1-one
Structure
SMILES: CCCCCCCCCCCCC/C=C/C(=O)N1CCCC1
InChI: InChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h14,17H,2-13,15-16,18-19H2,1H3/b17-14+
InChIKey: QNXDEBZEUMVFNP-SAPNQHFASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Piper | Piperaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Piper | Piperaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 307.5220000000001
TPSA？: 20.31
MolLogP？: 5.866100000000006
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | Inhibition | 23.16 | % | 10.1016/j.ejmech.2017.07.081 |
| Equus caballus | Cholinesterase | Inhibition | 10.95 | % | 10.1016/j.ejmech.2017.07.081 |
| Homo sapiens | A253 cell line | Survival | 44.0 | % | 10.1016/j.ejmech.2017.07.081 |
| Homo sapiens | FaDu | Survival | 79.0 | % | 10.1016/j.ejmech.2017.07.081 |
| Homo sapiens | HT-29 | Survival | 24.0 | % | 10.1016/j.ejmech.2017.07.081 |
| Homo sapiens | MCF7 | Survival | 24.0 | % | 10.1016/j.ejmech.2017.07.081 |
| Homo sapiens | SW-1736 | Survival | 42.0 | % | 10.1016/j.ejmech.2017.07.081 |
| Mus musculus | NIH3T3 | Survival | 60.0 | % | 10.1016/j.ejmech.2017.07.081 |