Leuconicine E
AlkaPlorer ID: AK113162
Synonym: None
IUPAC Name: (1R,13S,19S)-14-ethyl-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10,12(21),14-hexaene-10-carboxylic acid
Structure
SMILES: CCC1=CN2CC[C@]34C5=CC=CC=C5N5C3=C(C=C(C(=O)O)C5=O)[C@H]1C[C@H]24
InChI: InChI=1S/C22H20N2O3/c1-2-12-11-23-8-7-22-16-5-3-4-6-17(16)24-19(22)14(13(12)10-18(22)23)9-15(20(24)25)21(26)27/h3-6,9,11,13,18H,2,7-8,10H2,1H3,(H,26,27)/t13-,18-,22+/m0/s1
InChIKey: AEHQXGJWNFLWOF-KVYZTJHFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Leuconotis | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 360.4130000000001
TPSA？: 62.54
MolLogP？: 3.0043000000000006
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 25.0 | ug.mL-1 | 10.1021/np900576b |
| None | NON-PROTEIN TARGET | IC50 | 13.52 | ug.mL-1 | 10.1021/np900576b |
| None | NON-PROTEIN TARGET | IC50 | 25.0 | ug.mL-1 | 10.1021/np900576b |
| None | NON-PROTEIN TARGET | IC50 | 37560.0 | nM | 10.1021/np900576b |