444914-17-4
AlkaPlorer ID: AK051902
Synonym: 'Lepadine D', 'Lepadin D', '(+)-Lepadin D'
IUPAC Name: (2R,3S,4aR,5R,8aS)-5-(5-hydroxyoctyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ol
Structure
SMILES: CCCC(O)CCCC[C@@H]1CCC[C@@H]2N[C@H](C)[C@@H](O)C[C@H]12
InChI: InChI=1S/C18H35NO2/c1-3-7-15(20)10-5-4-8-14-9-6-11-17-16(14)12-18(21)13(2)19-17/h13-21H,3-12H2,1-2H3/t13-,14-,15?,16-,17+,18+/m1/s1
InChIKey: LNSIIDDYOVTXHK-WVDLQDBSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Didemnum sp. | Didemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 297.483
TPSA？: 52.49
MolLogP？: 3.235400000000001
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus pseudoglaucus | Aspergillus pseudoglaucus | NA | nan | None | 10.1021/jm0110892 |
| Aspergillus pseudoglaucus | Aspergillus pseudoglaucus | Zone of inhibition | 1.0 | mM | 10.1021/jm0110892 |
| Homo sapiens | Tyrosine-protein kinase LCK | NA | nan | None | 10.1021/jm0110892 |
| Microbotryum violaceum | Microbotryum violaceum | NA | nan | None | 10.1021/jm0110892 |
| Microbotryum violaceum | Microbotryum violaceum | Zone of inhibition | 2.0 | mM | 10.1021/jm0110892 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 4.0 | ug.mL-1 | 10.1021/jm0110892 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 6.1 | ug.mL-1 | 10.1021/jm0110892 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 10.0 | ug.mL-1 | 10.1021/jm0110892 |
| Rattus norvegicus | L6 | IC50 | 30.0 | ug.mL-1 | 10.1021/jm0110892 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 1.97 | ug.mL-1 | 10.1021/jm0110892 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 5.6 | ug.mL-1 | 10.1021/jm0110892 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 37.2 | ug.mL-1 | 10.1021/jm0110892 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 37.3 | ug.mL-1 | 10.1021/jm0110892 |