Molecule

Waltherione F

AlkaPlorer ID: AK003769

Synonym: None

IUPAC Name: 3,8-dimethoxy-2-methyl-5-octyl-1H-quinolin-4-one

Structure

SMILES: CCCCCCCCC1=C2C(=C(C=C1)OC)NC(=C(C2=O)OC)C

InChI: InChI=1S/C20H29NO3/c1-5-6-7-8-9-10-11-15-12-13-16(23-3)18-17(15)19(22)20(24-4)14(2)21-18/h12-13H,5-11H2,1-4H3,(H,21,22)

InChIKey: IJGDGRMCHJUXEN-UHFFFAOYSA-N

Reference

Antifungal Quinoline Alkaloids from <i>Waltheria indica</i>

PubChem CID: 118716646

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Waltheria indica	Waltheria	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 331.45600000000013

TPSA？: 51.32000000000001

MolLogP？: 4.756720000000004

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Candida albicans	Candida albicans	MIC	8.0	ug.mL-1	10.1021/acs.jnatprod.5b00896
Candida albicans	Candida albicans	MIC	16.0	ug.mL-1	10.1021/acs.jnatprod.5b00896
Candida parapsilosis	Candida parapsilosis	MIC	32.0	ug.mL-1	10.1021/acs.jnatprod.5b00896
Candida tropicalis	Candida tropicalis	MIC	32.0	ug.mL-1	10.1021/acs.jnatprod.5b00896
Escherichia coli	Escherichia coli	MIC	32.0	ug.mL-1	10.1021/acs.jnatprod.5b00896
Homo sapiens	A549	IC50	10000.0	nM	10.1021/acs.jnatprod.0c00454
Homo sapiens	HeLa	IC50	14.4	ug.mL-1	10.1021/acs.jnatprod.5b00896
Homo sapiens	KB	IC50	10000.0	nM	10.1021/acs.jnatprod.0c00454
Homo sapiens	MCF7	IC50	10000.0	nM	10.1021/acs.jnatprod.0c00454
Homo sapiens	MDA-MB-231	IC50	10000.0	nM	10.1021/acs.jnatprod.0c00454
Nakaseomyces glabratus	Nakaseomyces glabratus	MIC	32.0	ug.mL-1	10.1021/acs.jnatprod.5b00896
Pichia kudriavzevii	Pichia kudriavzevii	MIC	32.0	ug.mL-1	10.1021/acs.jnatprod.5b00896
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	32.0	ug.mL-1	10.1021/acs.jnatprod.5b00896
Rattus norvegicus	L6	IC50	25700.0	nM	10.1021/np5006554
Saccharomyces cerevisiae	Saccharomyces cerevisiae	MIC	32.0	ug.mL-1	10.1021/acs.jnatprod.5b00896
Staphylococcus aureus	Staphylococcus aureus	MIC	32.0	ug.mL-1	10.1021/acs.jnatprod.5b00896
Trypanosoma brucei brucei	Trypanosoma brucei brucei	IC50	31000.0	nM	10.1021/np5006554
Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	IC50	38600.0	nM	10.1021/np5006554
Trypanosoma cruzi	Trypanosoma cruzi	IC50	1100.0	nM	10.1021/np5006554
None	Unchecked	IC50	10000.0	nM	10.1021/acs.jnatprod.0c00454
None	Unchecked	Ratio IC50	22.7	None	10.1021/np5006554
None	Unchecked	Selectivity Index	1.8	None	10.1021/acs.jnatprod.5b00896