Lepadin E
AlkaPlorer ID: AK051913
Synonym: None
IUPAC Name: [(2R,3S,4aR,5R,8aS)-5-(5-hydroxyoctyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl] (E)-oct-2-enoate
Structure
SMILES: CCCCC/C=C/C(=O)O[C@H]1C[C@@H]2[C@H](CCCCC(O)CCC)CCC[C@@H]2N[C@@H]1C
InChI: InChI=1S/C26H47NO3/c1-4-6-7-8-9-18-26(29)30-25-19-23-21(14-10-11-16-22(28)13-5-2)15-12-17-24(23)27-20(25)3/h9,18,20-25,27-28H,4-8,10-17,19H2,1-3H3/b18-9+/t20-,21-,22?,23-,24+,25+/m1/s1
InChIKey: QNAATLGQMSSVEO-CJHSMMPESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Didemnum sp. | Didemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 421.66600000000017
TPSA？: 58.56
MolLogP？: 5.922800000000006
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus pseudoglaucus | Aspergillus pseudoglaucus | Zone of inhibition | 4.0 | mM | 10.1021/jm0110892 |
| Homo sapiens | Tyrosine-protein kinase LCK | Inhibition | 65.0 | % | 10.1021/jm0110892 |
| Microbotryum violaceum | Microbotryum violaceum | Zone of inhibition | 4.0 | mM | 10.1021/jm0110892 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.4 | ug.mL-1 | 10.1016/j.bmc.2009.02.050 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.4 | ug.mL-1 | 10.1021/jm0110892 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.9 | ug.mL-1 | 10.1016/j.bmc.2009.02.050 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.9 | ug.mL-1 | 10.1021/jm0110892 |
| Rattus norvegicus | L6 | IC50 | 16.2 | ug.mL-1 | 10.1021/jm0110892 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 0.38 | ug.mL-1 | 10.1021/jm0110892 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 2.2 | ug.mL-1 | 10.1021/jm0110892 |