Tryptamine; Nb-Pentacosanoyl
AlkaPlorer ID: AK113715
Synonym: Nb-Pentacosanoyltryptamine
IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]pentacosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(O)=NCCC1=CNC2=CC=CC=C12
InChI: InChI=1S/C35H60N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-35(38)36-30-29-32-31-37-34-27-25-24-26-33(32)34/h24-27,31,37H,2-23,28-30H2,1H3,(H,36,38)
InChIKey: CMFSUURRQYFHDN-UHFFFAOYSA-N
Reference
N-fatty acyl tryptamines from Annona reticulata
PubChem CID: 10792189
CAS: 152766-95-5
LOTUS: LTS0237131
NPASS: NPC80597
COCONUT: CNP0168669
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: 524.8780000000003
TPSA？: 48.38
MolLogP？: 11.65909999999999
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 |