Tryptamine; Nb-Hexadecanoyl
AlkaPlorer ID: AK043556
Synonym: Nb-Hexadecanoyltryptamine, Nb-Palmitoyltryptamine
IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]hexadecanamide
Structure
SMILES: CCCCCCCCCCCCCCCC(O)=NCCC1=CNC2=CC=CC=C12
InChI: InChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(29)27-21-20-23-22-28-25-18-16-15-17-24(23)25/h15-18,22,28H,2-14,19-21H2,1H3,(H,27,29)
InChIKey: YZWBXGMMZOEBAN-UHFFFAOYSA-N
Reference
N-fatty acyl tryptamines from Annona reticulata
PubChem CID: 3726592
CAS: 21469-15-8
LOTUS: LTS0199576
NPASS: NPC73952
COCONUT: CNP0110418
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: 398.6350000000001
TPSA？: 48.38
MolLogP？: 8.148200000000006
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 | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 1000.0 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | Geminin | Potency | 23109.3 | nM | None |
| 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 |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 5623.4 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 73.8 | nM | None |
| None | Neuron | Activity | 55.9 | % | 10.1016/j.bmc.2010.05.067 |
| None | Neuron | Activity | 121.3 | % | 10.1016/j.bmc.2010.05.067 |
| None | Neuron | Activity | 168.6 | % | 10.1016/j.bmc.2010.05.067 |
| None | NON-PROTEIN TARGET | ED50 | 10.0 | ug ml-1 | 10.1021/np990118x |
| None | NON-PROTEIN TARGET | IC50 | 1000000.0 | nM | 10.1016/j.bmc.2010.05.067 |