2,4,9,12-Hexadecatetraenoic acid; (2E,4E,9ξ,12ξ)-form, 2-Methylbutylamide
AlkaPlorer ID: AK300272
Synonym: 2,4,9,12-Hexadecatetraenoic acid 2-methylbutylamide
IUPAC Name: (2E,4E,9E,12E)-N-(2-methylbutyl)hexadeca-2,4,9,12-tetraenamide
Structure
SMILES: CCC/C=C/C/C=C/CCC/C=C/C=C/C(O)=NCC(C)CC
InChI: InChI=1S/C21H35NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22-19-20(3)5-2/h7-8,10-11,15-18,20H,4-6,9,12-14,19H2,1-3H3,(H,22,23)/b8-7+,11-10+,16-15+,18-17+
InChIKey: HGYPPGZPVQBDIS-UWKXONKZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lepidium meyenii | Lepidium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Heliopsis helianthoides | Heliopsis | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 317.5170000000001
TPSA？: 32.59
MolLogP？: 6.574300000000007
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Anandamide amidohydrolase | Efficacy | 80.0 | % | 10.1021/np500292g |
| Homo sapiens | Anandamide amidohydrolase | IC50 | 19950.0 | nM | 10.1021/np500292g |
| Homo sapiens | Cannabinoid CB1 receptor | Ki | 310.0 | nM | 10.1021/np500292g |
| Homo sapiens | Cannabinoid CB2 receptor | Ki | 1210.0 | nM | 10.1021/np500292g |
| Homo sapiens | U-937 | Efficacy | 51.0 | % | 10.1021/np500292g |
| Homo sapiens | U-937 | IC50 | 2150.0 | nM | 10.1021/np500292g |
| Mus musculus | Monoglyceride lipase | IC50 | 100000.0 | nM | 10.1021/np500292g |