Tryptamine; Nb-Hexacosanoyl
AlkaPlorer ID: AK055373
Synonym: Nb-Hexacosanoyltryptamine, Nb-Cerotoyltryptamine
IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]hexacosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=NCCC1=CNC2=CC=CC=C12
InChI: InChI=1S/C36H62N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-36(39)37-31-30-33-32-38-35-28-26-25-27-34(33)35/h25-28,32,38H,2-24,29-31H2,1H3,(H,37,39)
InChIKey: RBGZJJPNEDSXQH-UHFFFAOYSA-N
Reference
Tryptamine-Derived Amides and Alkaloids from the Seeds of <i>Annona </i><i>a</i><i>temoya</i>
PubChem CID: 10530465
CAS: 152766-96-6
LOTUS: LTS0118757
NPASS: NPC75540
COCONUT: CNP0266140
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: 538.9050000000003
TPSA？: 48.38
MolLogP？: 12.049199999999988
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 |