Tryptamine; Nb-Tetracosanoyl
AlkaPlorer ID: AK060364
Synonym: Nb-Tetracosanoyltryptamine, Nb-Lignoceroyltryptamine
IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]tetracosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(O)=NCCC1=CNC2=CC=CC=C12
InChI: InChI=1S/C34H58N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-34(37)35-29-28-31-30-36-33-26-24-23-25-32(31)33/h23-26,30,36H,2-22,27-29H2,1H3,(H,35,37)
InChIKey: LQPINJBBNVSTDE-UHFFFAOYSA-N
Reference
Tryptamine-Derived Amides and Alkaloids from the Seeds of <i>Annona </i><i>a</i><i>temoya</i>
PubChem CID: 10174581
CAS: 152766-94-4
LOTUS: LTS0045240
NPASS: NPC212376
COCONUT: CNP0159748
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 |
Properties Information
Molecule Weight: 510.8510000000003
TPSA？: 48.38
MolLogP？: 11.268999999999991
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 | NON-PROTEIN TARGET | ED50 | 10.0 | ug ml-1 | 10.1021/np990118x |