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name Structure Reference Source Properties Activities Metabolism

None

AlkaPlorer ID: AK323951

Synonym: None

IUPAC Name: 3-[3-[(1S,5S,7S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]-2,4-dihydroxybenzoic acid

Structure

SMILES: CC12C[C@@]34C=CC(=O)[C@@](C)(CCC(O)=NC5=C(O)C=CC(C(=O)O)=C5O)C3[C@H](CC1C4)O2

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InChI: InChI=1S/C24H27NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,26,29H,6-7,9-11H2,1-2H3,(H,25,28)(H,30,31)/t12?,15-,20?,22+,23?,24-/m0/s1

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InChIKey: CSOMAHTTWTVBFL-RRSCQWGLSA-N

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Reference

PubChem CID: 45267554

NPASS: NPC485817

Source

Species Genus Family Order Class Phylum Kingdom Domain
Streptomyces platensis Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 441.4800000000002

TPSA？: 136.65

MolLogP？: 3.883200000000002

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Activity nan None 10.1039/C2MD00252C
Candida albicans Candida albicans MIC 64.0 ug.mL-1 10.1073/pnas.0700746104
Enterococcus faecalis Enterococcus faecalis Activity nan None 10.1021/np100635f
Enterococcus faecalis Enterococcus faecalis MIC 0.5 ug.mL-1 10.1016/j.bmcl.2010.02.037
Enterococcus faecalis Enterococcus faecalis MIC 1.0 ug.mL-1 10.1073/pnas.0700746104
Enterococcus faecalis Enterococcus faecalis MIC 8.0 ug.mL-1 10.1016/j.bmcl.2010.02.037
Enterococcus faecium Enterococcus faecium Activity nan None 10.1021/np100635f
Enterococcus faecium Enterococcus faecium MIC 0.1 ug.mL-1 10.1073/pnas.0700746104
Enterococcus faecium Enterococcus faecium MIC 0.2 ug.mL-1 10.1016/j.ejmech.2011.01.047
Enterococcus faecium Enterococcus faecium MIC 0.5 ug.mL-1 10.1016/j.bmcl.2010.02.037
Escherichia coli Escherichia coli Activity nan None 10.1021/np100635f
Escherichia coli Escherichia coli MIC 16.0 ug.mL-1 10.1073/pnas.0700746104
Escherichia coli Escherichia coli MIC 64.0 ug.mL-1 10.1073/pnas.0700746104
Haemophilus influenzae Haemophilus influenzae Activity nan None 10.1021/np100635f
Homo sapiens HeLa IC50 1000.0 ug.mL-1 10.1073/pnas.0700746104
Klebsiella pneumoniae Klebsiella pneumoniae Activity nan None 10.1039/C2MD00252C
Pseudomonas aeruginosa Pseudomonas aeruginosa Activity nan None 10.1039/C2MD00252C
Staphylococcus aureus 3-oxoacyl-[acyl-carrier-protein] synthase 2 IC50 0.5 ug.mL-1 10.1016/j.bmcl.2009.02.006
Staphylococcus aureus Malonyl-CoA-acyl carrier protein transacylase Activity nan None 10.1073/pnas.0700746104
Staphylococcus aureus Staphylococcus aureus Activity 0.004 ug 10.1073/pnas.0700746104
Staphylococcus aureus Staphylococcus aureus Activity 0.01 ug ml-1 10.1016/j.bmcl.2009.02.006
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1021/np100635f
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1073/pnas.0700746104
Staphylococcus aureus Staphylococcus aureus IC50 0.1 ug.mL-1 10.1073/pnas.0700746104
Staphylococcus aureus Staphylococcus aureus IZ 30.0 mm 10.1039/C2MD00252C
Staphylococcus aureus Staphylococcus aureus MIC 0.2 ug.mL-1 10.1016/j.ejmech.2011.01.047
Staphylococcus aureus Staphylococcus aureus MIC 0.25 ug.mL-1 10.1016/j.bmcl.2010.02.037
Staphylococcus aureus Staphylococcus aureus MIC 0.5 ug.mL-1 10.1016/j.bmcl.2009.02.006
Staphylococcus aureus Staphylococcus aureus MIC 0.5 ug.mL-1 10.1016/j.bmcl.2009.06.092
Staphylococcus aureus Staphylococcus aureus MIC 0.5 ug.mL-1 10.1073/pnas.0700746104
Staphylococcus aureus Staphylococcus aureus MIC 1.0 ug.mL-1 10.1016/j.bmcl.2009.06.092
Staphylococcus aureus Staphylococcus aureus MIC 1.0 ug.mL-1 10.1016/j.bmcl.2010.02.037
Staphylococcus aureus Staphylococcus aureus MIC 1.0 ug.mL-1 10.1073/pnas.0700746104
Staphylococcus aureus Staphylococcus aureus MIC 2.0 ug.mL-1 10.1016/j.bmcl.2009.06.092
Staphylococcus aureus Staphylococcus aureus MIC 2.0 ug.mL-1 10.1016/j.bmcl.2010.02.037
Staphylococcus aureus Staphylococcus aureus MIC 2.0 ug.mL-1 10.1039/C2MD00252C
Staphylococcus aureus Staphylococcus aureus MIC 2.0 ug.mL-1 10.1073/pnas.0700746104
Staphylococcus aureus Staphylococcus aureus MIC 4.0 ug.mL-1 10.1016/j.bmcl.2009.06.092
Staphylococcus aureus Staphylococcus aureus MIC 4.0 ug.mL-1 10.1021/np300544a
Staphylococcus aureus Staphylococcus aureus MIC 8.0 ug.mL-1 10.1016/j.bmcl.2010.02.037
Staphylococcus aureus Staphylococcus aureus MIC 8.0 ug.mL-1 10.1021/np300544a
Staphylococcus aureus Staphylococcus aureus MIC 16.0 ug.mL-1 10.1016/j.bmcl.2009.06.092
Staphylococcus aureus Staphylococcus aureus MIC 64.0 ug.mL-1 10.1016/j.bmcl.2009.06.092
Staphylococcus aureus Staphylococcus aureus MIC 128.0 ug.mL-1 10.1016/j.bmcl.2009.06.092
Streptococcus pneumoniae Streptococcus pneumoniae Activity nan None 10.1021/np100635f
Streptococcus pneumoniae Streptococcus pneumoniae IC50 0.8 ug.mL-1 10.1073/pnas.0700746104
Streptococcus pneumoniae Streptococcus pneumoniae MIC 1.0 ug.mL-1 10.1073/pnas.0700746104
None ADMET Activity 67.0 ug ml-1 10.1073/pnas.0700746104
None Unchecked IC50 0.5 ug.mL-1 10.1016/j.bmcl.2009.06.061
None Unchecked IC50 19.0 nM 10.1016/j.bmcl.2009.06.061
None Unchecked IC50 290.0 nM 10.1073/pnas.0700746104
None Unchecked IC50 67000.0 nM 10.1073/pnas.0700746104
None Unchecked IC50 247000.0 nM 10.1073/pnas.0700746104

Metabolism Information