Lepidiline B
AlkaPlorer ID: AK004416
Synonym: None
IUPAC Name: 1,3-dibenzyl-2,4,5-trimethylimidazol-1-ium;chloride
Structure
SMILES: CC1=C([N+](=C(N1CC2=CC=CC=C2)C)CC3=CC=CC=C3)C.[Cl-]
InChI: InChI=1S/C20H23N2.ClH/c1-16-17(2)22(15-20-12-8-5-9-13-20)18(3)21(16)14-19-10-6-4-7-11-19;/h4-13H,14-15H2,1-3H3;1H/q+1;/p-1
InChIKey: VVNHJXQBUXJGBN-UHFFFAOYSA-M
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lepidium meyenii | Lepidium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 326.8710000000001
TPSA？: 8.809999999999999
MolLogP？: 0.8014599999999998
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | ED50 | 10.0 | ug ml-1 | 10.1021/np030031i |
| Homo sapiens | HL-60 | IC50 | 3800.0 | nM | 10.1021/acs.jnatprod.1c00797 |
| Homo sapiens | HT-29 | ED50 | 10.0 | ug ml-1 | 10.1021/np030031i |
| Homo sapiens | HUVEC | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.1c00797 |
| Homo sapiens | MCF7 | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.1c00797 |
| Homo sapiens | MIA PaCa-2 | ED50 | 1.38 | ug ml-1 | 10.1021/np030031i |
| Homo sapiens | PC-3 | ED50 | 10.0 | ug ml-1 | 10.1021/np030031i |
| Homo sapiens | UMUC3 | ED50 | 6.47 | ug ml-1 | 10.1021/np030031i |
| None | NON-PROTEIN TARGET | ED50 | 1.66 | ug ml-1 | 10.1021/np030031i |
| None | NON-PROTEIN TARGET | ED50 | 5.26 | ug ml-1 | 10.1021/np030031i |
| None | NON-PROTEIN TARGET | ED50 | 10.0 | ug ml-1 | 10.1021/np030031i |