Granulatamide A
AlkaPlorer ID: AK318339
Synonym: None
IUPAC Name: (Z)-N-[2-(1H-indol-3-yl)ethyl]-3-methyldodec-2-enamide
Structure
SMILES: CCCCCCCCC/C(C)=C\C(O)=NCCC1=CNC2=CC=CC=C12
InChI: InChI=1S/C23H34N2O/c1-3-4-5-6-7-8-9-12-19(2)17-23(26)24-16-15-20-18-25-22-14-11-10-13-21(20)22/h10-11,13-14,17-18,25H,3-9,12,15-16H2,1-2H3,(H,24,26)/b19-17-
InChIKey: OJKZELGKDKBJTP-ZPHPHTNESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eunicella granulata | Eunicella | Eunicellidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 354.538
TPSA？: 48.38
MolLogP？: 6.753900000000006
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | GI50 | 6700.0 | nM | 10.1021/np050382s |
| Homo sapiens | DU-145 | GI50 | 1700.0 | nM | 10.1021/np050382s |
| Homo sapiens | HeLa | GI50 | nan | None | 10.1021/np050382s |
| Homo sapiens | HT-29 | GI50 | 2200.0 | nM | 10.1021/np050382s |
| Homo sapiens | K562 | GI50 | 6800.0 | nM | 10.1021/np050382s |
| Homo sapiens | LNCaP | GI50 | 4700.0 | nM | 10.1021/np050382s |
| Homo sapiens | LoVo | GI50 | 10500.0 | nM | 10.1021/np050382s |
| Homo sapiens | LoVo | GI50 | 12000.0 | nM | 10.1021/np050382s |
| Homo sapiens | PANC-1 | GI50 | 10400.0 | nM | 10.1021/np050382s |
| Homo sapiens | SK-BR-3 | GI50 | 2700.0 | nM | 10.1021/np050382s |
| Homo sapiens | SK-MEL-28 | GI50 | 3900.0 | nM | 10.1021/np050382s |
| Homo sapiens | SK-OV-3 | GI50 | 11600.0 | nM | 10.1021/np050382s |
| None | NON-PROTEIN TARGET | GI50 | 6200.0 | nM | 10.1021/np050382s |
| None | NON-PROTEIN TARGET | GI50 | 6700.0 | nM | 10.1021/np050382s |
| None | NON-PROTEIN TARGET | GI50 | 12700.0 | nM | 10.1021/np050382s |