Tryptamine; Nb-Docosanoyl
AlkaPlorer ID: AK086604
Synonym: N-[2-(1H-Indol-3-yl)ethyl]docosanamide, 3-[2-(Docosanoylaminoethyl)]indole, Behenic acid tryptamide, Nb-Behenoyltryptamine, Nb-Docosanoyltryptamine
IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]docosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C12
InChI: InChI=1S/C32H54N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32(35)33-27-26-29-28-34-31-24-22-21-23-30(29)31/h21-24,28,34H,2-20,25-27H2,1H3,(H,33,35)
InChIKey: HAWFHRQOMIMGFR-UHFFFAOYSA-N
Reference
Tryptamine-Derived Amides and Alkaloids from the Seeds of <i>Annona </i><i>a</i><i>temoya</i>
PubChem CID: 10311044
CAS: 7367-79-5
LOTUS: LTS0088922
NPASS: NPC211572
COCONUT: CNP0284989
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: 482.7970000000002
TPSA？: 44.89
MolLogP？: 9.648500000000002
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 |