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5-Methoxycanthin-6-one

AlkaPlorer ID: AK019817

Synonym: ''

IUPAC Name: 3-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

Structure

SMILES: COC1=CC2=NC=CC3=C2N(C1=O)C1=CC=CC=C31

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InChI: InChI=1S/C15H10N2O2/c1-19-13-8-11-14-10(6-7-16-11)9-4-2-3-5-12(9)17(14)15(13)18/h2-8H,1H3

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InChIKey: TXEFUSAHPIYZHD-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Leitneria floridana Leitneria Simaroubaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 250.257

TPSA？: 43.6

MolLogP？: 2.4473000000000003

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aspergillus fumigatus Aspergillus fumigatus MIC 50000.0 nM 10.1021/np050250z
Bacillus subtilis Bacillus subtilis IZ 8.0 mm 10.1021/np50028a027
Candida albicans Candida albicans IZ 0.0 mm 10.1021/np50028a027
Candida albicans Candida albicans IZ 12.0 mm 10.1021/np50028a027
Candida albicans Candida albicans MIC 200000.0 nM 10.1021/np050250z
Cricetulus griseus CHO Activity 0.0 % 10.1021/np50028a027
Cricetulus griseus CHO Activity 0.3 % 10.1021/np50028a027
Cricetulus griseus CHO Activity nan None 10.1021/np50028a027
Cryptococcus neoformans Cryptococcus neoformans MIC 50000.0 nM 10.1021/np050250z
Enterococcus faecalis Enterococcus faecalis IZ 0.0 mm 10.1021/np50028a027
Escherichia coli Escherichia coli IZ 0.0 mm 10.1021/np50028a027
Escherichia coli Escherichia coli IZ 7.0 mm 10.1021/np50028a027
Homo sapiens A549 ED50 3.1 ug ml-1 10.1021/np000260u
Homo sapiens CAKI-1 ED50 4.4 ug ml-1 10.1021/np000260u
Homo sapiens Dual specificity protein phosphatase 3 Inhibition 27.5 % 10.1016/j.bmcl.2015.03.014
Homo sapiens HCT-8 ED50 2.5 ug ml-1 10.1021/np000260u
Homo sapiens HepG2 Selectivity Index 1.3 None 10.1016/j.bmcl.2015.03.014
Homo sapiens KB ED50 2.9 ug ml-1 10.1021/np000260u
Homo sapiens MCF7 ED50 5.0 ug ml-1 10.1021/np000260u
Homo sapiens Protein-tyrosine phosphatase 1B IC50 20300.0 nM 10.1016/j.bmcl.2015.03.014
Homo sapiens Protein-tyrosine phosphatase 1B Inhibition 91.0 % 10.1016/j.bmcl.2015.03.014
Homo sapiens Protein-tyrosine phosphatase 1B Ki 10330.0 nM 10.1016/j.bmcl.2015.03.014
Homo sapiens Protein-tyrosine phosphatase 1C Inhibition 22.8 % 10.1016/j.bmcl.2015.03.014
Homo sapiens Protein-tyrosine phosphatase 2C Inhibition 18.3 % 10.1016/j.bmcl.2015.03.014
Homo sapiens Serine/threonine-protein kinase AKT Inhibition nan % 10.1039/C2MD20047C
Homo sapiens SK-MEL-2 ED50 17.0 ug ml-1 10.1021/np000260u
Homo sapiens T-cell protein-tyrosine phosphatase Inhibition 48.4 % 10.1016/j.bmcl.2015.03.014
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 0.0 mm 10.1021/np50028a027
Pseudomonas fluorescens Pseudomonas fluorescens IZ 0.0 mm 10.1021/np50028a027
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 0.0 mm 10.1021/np50028a027
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 6.0 mm 10.1021/np50028a027
Saccharomyces cerevisiae Saccharomyces cerevisiae MIC 50000.0 nM 10.1021/np050250z
Staphylococcus aureus Staphylococcus aureus IZ 0.0 mm 10.1021/np50028a027
Staphylococcus aureus Staphylococcus aureus IZ 8.0 mm 10.1021/np50028a027
Tobacco mosaic virus Tobacco mosaic virus Inhibition 27.5 % 10.1021/jf901632j
Tobacco mosaic virus Tobacco mosaic virus Inhibition 36.4 % 10.1021/jf901632j
Tobacco mosaic virus Tobacco mosaic virus Inhibition 40.0 % 10.1021/jf901632j
Tobacco mosaic virus Tobacco mosaic virus Inhibition 45.7 % 10.1021/jf901632j
Tobacco mosaic virus Tobacco mosaic virus Inhibition 50.0 % 10.1021/jf901632j
Tobacco mosaic virus Tobacco mosaic virus Inhibition 58.3 % 10.1021/jf901632j
Trichophyton mentagrophytes Trichophyton mentagrophytes MIC 6300.0 nM 10.1021/np050250z
None ADMET Activity 60.0 % 10.1039/C2MD20047C
None NON-PROTEIN TARGET Activity 35.0 % 10.1039/C2MD20047C
None NON-PROTEIN TARGET Activity 40.0 % 10.1039/C2MD20047C
None NON-PROTEIN TARGET IC50 5.44 ug.mL-1 10.1021/np50027a014
None Unchecked Ratio 1.9 None 10.1016/j.bmcl.2015.03.014
None Unchecked Ratio 3.3 None 10.1016/j.bmcl.2015.03.014
None Unchecked Ratio 4.0 None 10.1016/j.bmcl.2015.03.014
None Unchecked Ratio 5.0 None 10.1016/j.bmcl.2015.03.014

Metabolism Information