Granulatamide B
AlkaPlorer ID: AK319408
Synonym: None
IUPAC Name: (2Z,4E)-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyldodeca-2,4-dienamide
Structure
SMILES: CCCCCCC/C(C)=C/C(C)=C\C(O)=NCCC1=CNC2=CC=CC=C12
InChI: InChI=1S/C24H34N2O/c1-4-5-6-7-8-11-19(2)16-20(3)17-24(27)25-15-14-21-18-26-23-13-10-9-12-22(21)23/h9-10,12-13,16-18,26H,4-8,11,14-15H2,1-3H3,(H,25,27)/b19-16+,20-17-
InChIKey: FYPDAIJQUOZGTQ-YZXPOQMXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eunicella granulata | Eunicella | Eunicellidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 366.549
TPSA？: 48.38
MolLogP？: 6.920000000000006
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 | 8900.0 | nM | 10.1021/np050382s |
| Homo sapiens | DU-145 | GI50 | 7700.0 | nM | 10.1021/np050382s |
| Homo sapiens | HeLa | GI50 | 9000.0 | nM | 10.1021/np050382s |
| Homo sapiens | HeLa | GI50 | 9700.0 | nM | 10.1021/np050382s |
| Homo sapiens | HT-29 | GI50 | 13800.0 | nM | 10.1021/np050382s |
| Homo sapiens | K562 | GI50 | 4300.0 | nM | 10.1021/np050382s |
| Homo sapiens | LNCaP | GI50 | 3500.0 | nM | 10.1021/np050382s |
| Homo sapiens | LoVo | GI50 | 8600.0 | nM | 10.1021/np050382s |
| Homo sapiens | LoVo | GI50 | 10000.0 | nM | 10.1021/np050382s |
| Homo sapiens | PANC-1 | GI50 | 6500.0 | nM | 10.1021/np050382s |
| Homo sapiens | SK-BR-3 | GI50 | 6000.0 | nM | 10.1021/np050382s |
| Homo sapiens | SK-MEL-28 | GI50 | 10600.0 | nM | 10.1021/np050382s |
| Homo sapiens | SK-OV-3 | GI50 | nan | None | 10.1021/np050382s |
| None | NON-PROTEIN TARGET | GI50 | 6700.0 | nM | 10.1021/np050382s |
| None | NON-PROTEIN TARGET | GI50 | 8200.0 | nM | 10.1021/np050382s |
| None | NON-PROTEIN TARGET | GI50 | nan | None | 10.1021/np050382s |