Tryptamine; Nb-Octadecanoyl
AlkaPlorer ID: AK034824
Synonym: Nb-Octadecanoyltryptamine, Nb-Stearoyltryptamine
IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]octadecanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCC(O)=NCCC1=CNC2=CC=CC=C12
InChI: InChI=1S/C28H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(31)29-23-22-25-24-30-27-20-18-17-19-26(25)27/h17-20,24,30H,2-16,21-23H2,1H3,(H,29,31)
InChIKey: AIIVCXFBTONHDU-UHFFFAOYSA-N
Reference
N-fatty acyl tryptamines from Annona reticulata
PubChem CID: 11796710
CAS: 21469-14-7
LOTUS: LTS0270231
NPASS: NPC25008
COCONUT: CNP0165536
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Rollinia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Annona reticulata | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | None | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 426.6890000000001
TPSA？: 48.38
MolLogP？: 8.928400000000005
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | LC50 | 500.0 | ug.mL-1 | 10.1021/np990118x |
| Homo sapiens | A549 | ED50 | 10.0 | ug ml-1 | 10.1021/np990118x |
| Homo sapiens | HT-29 | ED50 | 10.0 | ug ml-1 | 10.1021/np990118x |
| Homo sapiens | MCF7 | ED50 | 10.0 | ug ml-1 | 10.1021/np990118x |
| Homo sapiens | MIA PaCa-2 | ED50 | 10.0 | ug ml-1 | 10.1021/np990118x |
| Homo sapiens | PC-3 | ED50 | 10.0 | ug ml-1 | 10.1021/np990118x |
| None | Neuron | Activity | 110.0 | % | 10.1016/j.bmc.2010.05.067 |
| None | Neuron | Activity | 149.9 | % | 10.1016/j.bmc.2010.05.067 |
| None | NON-PROTEIN TARGET | ED50 | 10.0 | ug ml-1 | 10.1021/np990118x |