Molecule

Cleistopholine

AlkaPlorer ID: AK046578

Synonym: None

IUPAC Name: 4-methylbenzo[g]quinoline-5,10-dione

Structure

SMILES: CC1=CC=NC2=C1C(=O)C1=CC=CC=C1C2=O

InChI: InChI=1S/C14H9NO2/c1-8-6-7-15-12-11(8)13(16)9-4-2-3-5-10(9)14(12)17/h2-7H,1H3

InChIKey: GVRYUHXXENMGEV-UHFFFAOYSA-N

Reference

Isoquinoline Alkaloids from Duguetia Vallicola Stem Bark with Antiplasmodial Activity

PubChem CID: 457732

CAS: 96889-94-0

LOTUS: LTS0130229

SuperNatural Ⅲ: SN0116594

COCONUT: CNP0314892

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cananga odorata	Cananga	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 223.231

TPSA？: 47.03

MolLogP？: 2.16542

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Aspergillus fumigatus	Aspergillus fumigatus	MIC	100.0	ug.mL-1	10.1021/jm00100a012
Aspergillus niger	Aspergillus niger	MIC	100.0	ug.mL-1	10.1016/j.bmcl.2004.12.059
Bacillus subtilis	Bacillus subtilis	MIC	25.0	ug.mL-1	10.1016/j.bmcl.2004.12.059
Candida albicans	Candida albicans	MIC	12.5	ug.mL-1	10.1021/jm00100a012
Cryptococcus neoformans	Cryptococcus neoformans	MIC	1.56	ug.mL-1	10.1021/jm00100a012
Cyberlindnera jadinii	Cyberlindnera jadinii	MIC	50.0	ug.mL-1	10.1016/j.bmcl.2004.12.059
Escherichia coli	Escherichia coli	MIC	100.0	ug.mL-1	10.1016/j.bmcl.2004.12.059
Homo sapiens	HepG2	IC50	0.22	ug.mL-1	10.1021/np0005208
Homo sapiens	Raji	Activity	70.0	%	10.1021/np50065a012
Homo sapiens	Raji	Activity	80.0	%	10.1021/np50065a012
Mucor mucedo	Mucor mucedo	MIC	50.0	ug.mL-1	10.1016/j.bmcl.2004.12.059
Mycobacterium intracellulare	Mycobacterium intracellulare	MIC	12.5	ug.mL-1	10.1016/j.ejmech.2013.06.010
Mycobacterium intracellulare	Mycobacterium intracellulare	MIC	12.5	ug.mL-1	10.1021/jm00100a012
Mycobacterium sp.	Mycobacterium sp.	MIC	12.5	ug.mL-1	10.1016/j.ejmech.2017.06.005
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	12.5	ug.mL-1	10.1016/j.ejmech.2022.114173
Proteus vulgaris	Proteus vulgaris	MIC	50.0	ug.mL-1	10.1016/j.bmcl.2004.12.059
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	50.0	ug.mL-1	10.1016/j.bmcl.2004.12.059
Rhizopus microsporus var. chinensis	Rhizopus microsporus var. chinensis	MIC	100.0	ug.mL-1	10.1016/j.bmcl.2004.12.059
Rhodotorula mucilaginosa	Rhodotorula mucilaginosa	MIC	50.0	ug.mL-1	10.1016/j.bmcl.2004.12.059
Saccharomyces cerevisiae	Saccharomyces cerevisiae	MIC	100.0	ug.mL-1	10.1016/j.bmcl.2004.12.059
Schizosaccharomyces pombe	Schizosaccharomyces pombe	MIC	25.0	ug.mL-1	10.1016/j.bmcl.2004.12.059
Staphylococcus aureus	Staphylococcus aureus	MIC	25.0	ug.mL-1	10.1016/j.bmcl.2004.12.059
None	NON-PROTEIN TARGET	IC50	0.54	ug.mL-1	10.1021/np0005208
None	NON-PROTEIN TARGET	MIC	50.0	ug.mL-1	10.1016/j.bmcl.2004.12.059
None	Unchecked	IC50	196600.0	nM	10.1016/j.bmc.2020.115462
None	Unchecked	Inhibition	40.6	%	10.1021/np50065a012
None	Unchecked	Inhibition	48.7	%	10.1021/np50065a012
None	Unchecked	Inhibition	77.5	%	10.1021/np50065a012
None	Unchecked	Inhibition	100.0	%	10.1021/np50065a012