2,4-Tetradecadienoic acid; (2E,4E)-form, 2-Methylpropylamide
AlkaPlorer ID: AK315194
Synonym: 2,4-Tetradecadienoic acid isobutylamide
IUPAC Name: (2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
Structure
SMILES: CCCCCCCCC/C=C/C=C/C(O)=NCC(C)C
InChI: InChI=1S/C18H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h12-15,17H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+
InChIKey: AGJAUFUNZWHLKE-SQIWNDBBSA-N
Reference
Isobutylamides from the fruit of Zanthoxylum integrifoliolum
PubChem CID: 10731388
CAS: 13891-73-1
LOTUS: LTS0252670
SuperNatural Ⅲ: SN0004912-02
NPASS: NPC306420
Source
Properties Information
Molecule Weight: 279.4680000000001
TPSA？: 32.59
MolLogP？: 5.852000000000006
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Cannabinoid CB1 receptor | Ki | 1400.0 | nM | 10.1016/j.bmc.2013.09.017 |
| Mus musculus | Cannabinoid CB2 receptor | Ki | 1170.0 | nM | 10.1016/j.bmc.2013.09.017 |
| Mus musculus | Delta opioid receptor | Ki | 22500.0 | nM | 10.1016/j.bmc.2013.09.017 |
| Mus musculus | Mu opioid receptor | Ki | 51000.0 | nM | 10.1016/j.bmc.2013.09.017 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 6.2 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |
| None | Unchecked | Ratio Ki | 0.44 | None | 10.1016/j.bmc.2013.09.017 |
| None | Unchecked | Ratio Ki | 1.2 | None | 10.1016/j.bmc.2013.09.017 |