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name Structure Reference Source Properties Activities Metabolism

5,7-dioxa-12λ⁵-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaen-12-ylium-17-olate

AlkaPlorer ID: AK364501

Synonym: None

IUPAC Name: 5,7-dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaen-17-olate

Structure

SMILES: [O-]C1=CC2=C3C(=C1)C1=CC4=C(C=C1C=[N+]3CC2)OCO4

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InChI: InChI=1S/C16H11NO3/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17/h3-7H,1-2,8H2

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InChIKey: DFQOXFIPAAMFAU-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Crinum americanum Crinum Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 265.268

TPSA？: 45.400000000000006

MolLogP？: 1.6389

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Agrobacterium tumefaciens Agrobacterium tumefaciens Activity nan None 10.1021/np50040a008
Curtobacterium flaccumfaciens Curtobacterium flaccumfaciens Activity nan None 10.1021/np50040a008
Edwardsiella ictaluri Edwardsiella ictaluri MIC 3.0 ug.mL-1 10.1016/j.bmcl.2017.09.052
Escherichia coli Escherichia coli MIC 25.0 ug.mL-1 10.1016/j.bmcl.2017.09.052
Flavobacterium columnare Flavobacterium columnare MIC 3.0 ug.mL-1 10.1016/j.bmcl.2017.09.052
Flavobacterium columnare Flavobacterium columnare MIC 1000.0 nM 10.1016/j.bmcl.2017.09.052
Homo sapiens A549 IC50 10000.0 nM 10.1021/jm901031h
Homo sapiens A549 IC50 10000.0 nM 10.1021/np9008255
Homo sapiens Acetylcholinesterase IC50 3850.0 nM 10.1021/np0702077
Homo sapiens BXPC-3 ED50 0.87 ug ml-1 10.1021/np0402367
Homo sapiens DNA topoisomerase I IC50 6100.0 nM 10.1016/j.bmcl.2011.09.097
Homo sapiens DNA topoisomerase II alpha IC50 25800.0 nM 10.1016/j.bmcl.2011.09.097
Homo sapiens DNA topoisomerase II alpha Inhibition nan % 10.1016/j.bmcl.2011.09.097
Homo sapiens DU-145 ED50 0.029 ug ml-1 10.1021/np0402367
Homo sapiens HL-60 IC50 1400.0 nM 10.1016/j.bmcl.2011.09.097
Homo sapiens KM-20L2 ED50 0.5 ug ml-1 10.1021/np0402367
Homo sapiens MCF7 ED50 0.48 ug ml-1 10.1021/np0402367
Homo sapiens MCF7 IC50 40000.0 nM 10.1016/j.bmcl.2011.09.097
Homo sapiens NCI-H460 ED50 0.65 ug ml-1 10.1021/np0402367
Homo sapiens SF-268 ED50 0.057 ug ml-1 10.1021/np0402367
Homo sapiens SK-MEL IC50 10000.0 nM 10.1021/np9008255
Homo sapiens SK-MEL-28 IC50 10000.0 nM 10.1021/jm901031h
Leishmania donovani Leishmania donovani IC50 30.0 ug.mL-1 10.1016/j.bmcl.2019.126642
Mus musculus B16-F10 IC50 10000.0 nM 10.1021/jm901031h
Mus musculus B16-F10 IC50 10000.0 nM 10.1021/np9008255
Mus musculus Mus musculus Activity -3.9 g 10.1021/jm00200a011
Mus musculus Mus musculus Activity -2.1 g 10.1021/jm00200a011
Mus musculus Mus musculus Activity -1.9 g 10.1021/jm00200a011
Mus musculus Mus musculus Activity -0.7 g 10.1021/jm00200a011
Mus musculus P388 ED50 1.2 ug ml-1 10.1021/np0402367
Mus musculus P388 Survival nan None 10.1021/jm00200a011
Mus musculus P388 T/C 133.0 % 10.1021/jm00200a011
Mus musculus P388 T/C 136.0 % 10.1021/jm00200a011
Mus musculus P388 T/C 148.0 % 10.1021/jm00200a011
Mus musculus P388 T/C 152.0 % 10.1021/jm00200a011
Pectobacterium carotovorum Pectobacterium carotovorum Activity nan None 10.1021/np50040a008
Priestia megaterium Priestia megaterium Activity nan None 10.1021/np50040a008
Pseudomonas Pseudomonas Activity nan None 10.1021/np50040a008
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 125.0 ug.mL-1 10.1016/j.bmcl.2017.09.052
Pseudomonas cichorii Pseudomonas cichorii Activity nan None 10.1021/np50040a008
Pseudomonas coronafaciens Pseudomonas coronafaciens Activity nan None 10.1021/np50040a008
Pseudomonas savastanoi Pseudomonas savastanoi Activity nan None 10.1021/np50040a008
Pseudomonas syringae Pseudomonas syringae Activity nan None 10.1021/np50040a008
Rhodococcus fascians Rhodococcus fascians IZ 0.0 mm 10.1021/np50040a008
Rhodococcus fascians Rhodococcus fascians IZ 14.0 mm 10.1021/np50040a008
Rhodococcus fascians Rhodococcus fascians IZ 15.0 mm 10.1016/j.bmcl.2017.09.052
Rhodococcus fascians Rhodococcus fascians IZ 15.0 mm 10.1021/np50040a008
Salmonella enterica subsp. enterica serovar Typhi Salmonella typhi MIC 125.0 ug.mL-1 10.1016/j.bmcl.2011.09.097
Staphylococcus aureus Staphylococcus aureus MIC 25.0 ug.mL-1 10.1016/j.bmcl.2017.09.052
Staphylococcus epidermidis Staphylococcus epidermidis MIC 31.25 ug.mL-1 10.1016/j.bmcl.2011.09.097
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 0.97 ug.mL-1 10.1016/j.bmcl.2019.126642
Trypanosoma cruzi Trypanosoma cruzi IC50 0.85 ug.mL-1 10.1016/j.bmcl.2019.126642
Xanthomonas euvesicatoria Xanthomonas euvesicatoria Activity nan None 10.1021/np50040a008
None NON-PROTEIN TARGET IC50 8300.0 nM 10.1021/jm901031h
None NON-PROTEIN TARGET IC50 10000.0 nM 10.1021/jm901031h
None NON-PROTEIN TARGET IC50 10000.0 nM 10.1021/np9008255
None NON-PROTEIN TARGET IC50 83000.0 nM 10.1021/np9008255
None Nucleic Acid Activity nan None 10.1016/j.bmcl.2011.09.097
None Unchecked FC 250.0 None 10.1016/j.bmcl.2011.09.097
None Unchecked IC50 7300.0 nM 10.1016/j.bmcl.2011.09.097
None Unchecked IC50 15000.0 nM 10.1016/j.bmcl.2011.09.097
None Unchecked Inhibition nan % 10.1016/j.bmcl.2011.09.097

Metabolism Information