Tryptamine; Nb-Tricosanoyl
AlkaPlorer ID: AK113708
Synonym: Nb-Tricosanoyltryptamine
IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]tricosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCCC(O)=NCCC1=CNC2=CC=CC=C12
InChI: InChI=1S/C33H56N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33(36)34-28-27-30-29-35-32-25-23-22-24-31(30)32/h22-25,29,35H,2-21,26-28H2,1H3,(H,34,36)
InChIKey: XJUYJAIYKWBPLY-UHFFFAOYSA-N
Reference
N-fatty acyl tryptamines from Annona reticulata
PubChem CID: 10625101
CAS: 152766-93-3
LOTUS: LTS0065527
NPASS: NPC70922
COCONUT: CNP0234416
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: 496.8240000000002
TPSA？: 48.38
MolLogP？: 10.878899999999994
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 | 114.0 | % | 10.1016/j.bmc.2010.05.067 |
| None | Neuron | Activity | 145.4 | % | 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 | nan | None | 10.1016/j.bmc.2010.05.067 |