Molecule

11-hydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one

AlkaPlorer ID: AK009679

Synonym: None

IUPAC Name: 6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one

SMILES: COC1=CC=CC2=C1N(C)C1=C3C=CC(C)(C)OC3=CC(O)=C1C2=O

InChI: InChI=1S/C20H19NO4/c1-20(2)9-8-11-15(25-20)10-13(22)16-18(11)21(3)17-12(19(16)23)6-5-7-14(17)24-4/h5-10,22H,1-4H3

InChIKey: UNXDMEUOZWETRG-UHFFFAOYSA-N

PubChem CID: 14463134

LOTUS: LTS0241855

SuperNatural Ⅲ: SN0375413

COCONUT: CNP0167674

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Citrus junos	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 337.37500000000006

TPSA？: 60.690000000000005

MolLogP？: 3.590100000000004

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	MIC	1.0	ug.mL-1	10.1016/j.bmcl.2015.12.028
Candida albicans	Candida albicans	MIC	1.0	ug.mL-1	10.1016/j.bmcl.2015.12.028
Escherichia coli	Escherichia coli	MIC	1.0	ug.mL-1	10.1016/j.bmcl.2015.12.028
Globisporangium ultimum	Globisporangium ultimum	MIC	1.0	ug.mL-1	10.1016/j.bmcl.2015.12.028
Homo sapiens	A549	IC50	20.0	ug.mL-1	10.1021/acs.jnatprod.7b00938
Homo sapiens	HepG2	IC50	20.0	ug.mL-1	10.1021/acs.jnatprod.7b00938
Homo sapiens	MDA-MB-231	IC50	20.0	ug.mL-1	10.1021/acs.jnatprod.7b00938
Rhizoctonia solani	Rhizoctonia solani	MIC	1.0	ug.mL-1	10.1016/j.bmcl.2015.12.028
Rhizomucor miehei	Rhizomucor miehei	MIC	1.0	ug.mL-1	10.1016/j.bmcl.2015.12.028
Staphylococcus aureus	Staphylococcus aureus	MIC	1.0	ug.mL-1	10.1016/j.bmcl.2015.12.028
None	NON-PROTEIN TARGET	IC50	70000.0	nM	10.1016/j.bmcl.2015.12.028
None	NON-PROTEIN TARGET	MIC	1.0	ug.mL-1	10.1016/j.bmcl.2015.12.028
None	Unchecked	IC50	4500.0	nM	10.1016/j.bmcl.2015.12.028