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Xiamycin methyl ester

AlkaPlorer ID: AK023877

Synonym: 'Xiamycin methyl ester'

IUPAC Name: methyl (16R,17S,18S,21S)-18-hydroxy-17,21-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12-hexaene-17-carboxylate

Structure

SMILES: COC(=O)[C@]1(C)[C@@H](O)CC[C@]2(C)C3=CC4=C(C=C3CC[C@@H]12)NC1=CC=CC=C14

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InChI: InChI=1S/C24H27NO3/c1-23-11-10-21(26)24(2,22(27)28-3)20(23)9-8-14-12-19-16(13-17(14)23)15-6-4-5-7-18(15)25-19/h4-7,12-13,20-21,25-26H,8-11H2,1-3H3/t20-,21+,23-,24+/m1/s1

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InChIKey: QGSPVLSFRSZVTG-JSRBNTPPSA-N

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Source

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

Properties Information

Molecule Weight: 377.4840000000001

TPSA？: 62.32

MolLogP？: 4.475200000000004

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis IZ 13.5 mm 10.1016/j.bmcl.2010.09.010
Candida albicans Candida albicans Activity nan None 10.1016/j.bmcl.2010.09.010
Chlorocebus sabaeus Vero CC50 103150.0 nM 10.1021/acs.jnatprod.5b00634
Enterococcus faecalis Enterococcus faecalis IZ 12.0 mm 10.1016/j.bmcl.2010.09.010
Escherichia coli Escherichia coli Activity nan None 10.1016/j.bmcl.2010.09.010
Homo sapiens CWR22R IC50 9870.0 nM 10.1016/j.bmcl.2010.09.010
Homo sapiens HT-29 IC50 9970.0 nM 10.1016/j.bmcl.2010.09.010
Mycolicibacterium vaccae Mycolicibacterium vaccae IZ 14.0 mm 10.1016/j.bmcl.2010.09.010
Penicillium chrysogenum Penicillium chrysogenum Activity nan None 10.1016/j.bmcl.2010.09.010
Pseudomonas aeruginosa Pseudomonas aeruginosa Activity nan None 10.1016/j.bmcl.2010.09.010
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 15.0 mm 10.1016/j.bmcl.2010.09.010
Sporobolomyces salmonicolor Sporobolomyces salmonicolor Activity nan None 10.1016/j.bmcl.2010.09.010
Staphylococcus aureus Staphylococcus aureus IZ 14.0 mm 10.1016/j.bmcl.2010.09.010
Staphylococcus aureus Staphylococcus aureus IZ 15.0 mm 10.1016/j.bmcl.2010.09.010
None NON-PROTEIN TARGET EC50 5690.0 nM 10.1021/acs.jnatprod.5b00634
None NON-PROTEIN TARGET IC50 7630.0 nM 10.1016/j.bmcl.2010.09.010
None NON-PROTEIN TARGET IC50 8520.0 nM 10.1016/j.bmcl.2010.09.010
None NON-PROTEIN TARGET IC50 8540.0 nM 10.1016/j.bmcl.2010.09.010
None NON-PROTEIN TARGET IC50 9620.0 nM 10.1016/j.bmcl.2010.09.010
None NON-PROTEIN TARGET IC50 10000.0 nM 10.1016/j.bmcl.2010.09.010
None NON-PROTEIN TARGET IC50 10780.0 nM 10.1016/j.bmcl.2010.09.010
None NON-PROTEIN TARGET IC50 11110.0 nM 10.1016/j.bmcl.2010.09.010
None NON-PROTEIN TARGET IC50 11660.0 nM 10.1016/j.bmcl.2010.09.010
None NON-PROTEIN TARGET IC50 12400.0 nM 10.1016/j.bmcl.2010.09.010
None NON-PROTEIN TARGET IC50 12840.0 nM 10.1016/j.bmcl.2010.09.010
None Unchecked Ratio CC50/EC50 18.09 None 10.1021/acs.jnatprod.5b00634

Metabolism Information