6-[(1E,3E,5E)-deca-1,3,5-trien-1-yl]-1,2-dimethylpiperidin-3-yl acetate
AlkaPlorer ID: AK138721
Synonym: None
IUPAC Name: [(2S,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-1,2-dimethylpiperidin-3-yl] acetate
Structure
SMILES: CCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](OC(C)=O)[C@H](C)N1C
InChI: InChI=1S/C19H31NO2/c1-5-6-7-8-9-10-11-12-13-18-14-15-19(22-17(3)21)16(2)20(18)4/h8-13,16,18-19H,5-7,14-15H2,1-4H3/b9-8+,11-10+,13-12+/t16-,18+,19+/m0/s1
InChIKey: JMQLJAPSKRBPMT-YFKNEZHJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcos paniculata | Microcos | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 305.462
TPSA？: 29.54
MolLogP？: 4.259600000000003
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-29 | IC50 | 10000.0 | nM | 10.1021/np3007414 |
| Homo sapiens | Neuronal acetylcholine receptor; alpha3/beta4 | Inhibition | nan | % | 10.1021/np3007414 |
| Homo sapiens | Neuronal acetylcholine receptor; alpha4/beta2 | Inhibition | 44.1 | % | 10.1021/np3007414 |