(8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)nona-2,4,8-trien-1-one
AlkaPlorer ID: AK319451
Synonym: None
IUPAC Name: (2E,4Z,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,4,8-trien-1-one
Structure
SMILES: O=C(/C=C/C=C\CC/C=C/C1=CC=C2OCOC2=C1)N1CCCCC1
InChI: InChI=1S/C21H25NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h2,4,6-7,10-13,16H,1,3,5,8-9,14-15,17H2/b4-2-,10-6+,11-7+
InChIKey: KAYVDASZRFLFRZ-FENSLTRZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Piper longum | Piper | Piperaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 339.4350000000002
TPSA？: 38.77
MolLogP？: 4.333600000000003
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Intercellular adhesion molecule-1 | Activity | nan | None | 10.1016/j.bmcl.2008.07.045 |
| Homo sapiens | Intercellular adhesion molecule-1 | IC50 | 10.7 | ug.mL-1 | 10.1016/j.bmcl.2008.07.045 |
| Homo sapiens | Intercellular adhesion molecule-1 | Inhibition | 13.1 | % | 10.1016/j.bmcl.2008.07.045 |
| Homo sapiens | Intercellular adhesion molecule-1 | Inhibition | 58.4 | % | 10.1016/j.bmcl.2008.07.045 |
| Homo sapiens | Intercellular adhesion molecule-1 | Inhibition | 92.1 | % | 10.1016/j.bmcl.2008.07.045 |
| Homo sapiens | THP-1 | Activity | nan | None | 10.1016/j.bmcl.2008.07.045 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1016/j.bmcl.2008.07.045 |