Tryptamine; Nb-Eicosanoyl
AlkaPlorer ID: AK070877
Synonym: Nb-Eicosanoyltryptamine, Nb-Arachidoyltryptamine
IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]icosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCC(O)=NCCC1=CNC2=CC=CC=C12
InChI: InChI=1S/C30H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(33)31-25-24-27-26-32-29-22-20-19-21-28(27)29/h19-22,26,32H,2-18,23-25H2,1H3,(H,31,33)
InChIKey: PMYMGHIVWFOOOS-UHFFFAOYSA-N
Reference
N-fatty acyl tryptamines from Annona reticulata
PubChem CID: 10127573
CAS: 152766-92-2
LOTUS: LTS0172041
NPASS: NPC259644
COCONUT: CNP0238449
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: 454.7430000000001
TPSA？: 48.38
MolLogP？: 9.708600000000002
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 | 121.8 | % | 10.1016/j.bmc.2010.05.067 |
| None | Neuron | Activity | 147.4 | % | 10.1016/j.bmc.2010.05.067 |
| None | NON-PROTEIN TARGET | ED50 | 10.0 | ug ml-1 | 10.1021/np990118x |