Molecule

Leuconicine B

AlkaPlorer ID: AK011894

Synonym: None

IUPAC Name: methyl (1R,13S,14S,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)-pentaene-10-carboxylate

Structure

SMILES: CC[C@@H]1CN2CC[C@]34C5=CC=CC=C5N5C3=C(C=C(C(=O)OC)C5=O)[C@H]1C[C@H]24

InChI: InChI=1S/C23H24N2O3/c1-3-13-12-24-9-8-23-17-6-4-5-7-18(17)25-20(23)15(14(13)11-19(23)24)10-16(21(25)26)22(27)28-2/h4-7,10,13-14,19H,3,8-9,11-12H2,1-2H3/t13-,14+,19+,23-/m1/s1

InChIKey: SISNJMQUMOSGQC-PEYHYLNSSA-N

Reference

Leuconicines A−G and (−)-Eburnamaline, Biologically Active Strychnan and Eburnan Alkaloids from <i>Leuconotis</i>

PubChem CID: 46881102

LOTUS: LTS0157235

SuperNatural Ⅲ: SN0346565-03

NPASS: NPC243756

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Melodinus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Leuconotis	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 376.4560000000002

TPSA？: 51.54

MolLogP？: 2.825000000000001

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Enterococcus faecalis	Enterococcus faecalis	MIC	66000.0	nM	10.1021/acs.jnatprod.6b00011
Escherichia coli	Escherichia coli	MIC	66000.0	nM	10.1021/acs.jnatprod.6b00011
Homo sapiens	A549	IC50	40000.0	nM	10.1021/np900595v
Homo sapiens	HL-60	IC50	40000.0	nM	10.1021/np900595v
Homo sapiens	KB	Activity	nan	None	10.1016/j.bmc.2013.12.022
Homo sapiens	KB	IC50	25.0	ug.mL-1	10.1021/np900576b
Homo sapiens	P-glycoprotein 1	FC	0.2	None	10.1016/j.bmc.2013.12.022
Homo sapiens	P-glycoprotein 1	FC	0.3	None	10.1016/j.bmc.2013.12.022
Homo sapiens	P-glycoprotein 1	FC	3.8	None	10.1016/j.bmc.2013.12.022
Homo sapiens	P-glycoprotein 1	FC	6.8	None	10.1016/j.bmc.2013.12.022
Homo sapiens	SK-BR-3	IC50	40000.0	nM	10.1021/np900595v
Homo sapiens	SMMC-7721	IC50	40000.0	nM	10.1021/np900595v
Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	133000.0	nM	10.1021/acs.jnatprod.6b00011
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	2000.0	nM	10.1021/acs.jnatprod.6b00011
Staphylococcus aureus	Staphylococcus aureus	MIC	150000.0	nM	10.1021/acs.jnatprod.6b00011
None	NON-PROTEIN TARGET	Activity	nan	None	10.1016/j.bmc.2013.12.022
None	NON-PROTEIN TARGET	IC50	1.98	ug.mL-1	10.1021/np900576b
None	NON-PROTEIN TARGET	IC50	25.0	ug.mL-1	10.1021/np900576b
None	NON-PROTEIN TARGET	IC50	5270.0	nM	10.1021/np900576b
None	Unchecked	Activity	nan	None	10.1016/j.bmc.2013.12.022
None	Unchecked	Kd	13800.0	nM	10.1016/j.bmc.2013.12.022