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desmycosin

AlkaPlorer ID: AK042344

Synonym: 'Tylosin B'

IUPAC Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

Structure

SMILES: CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC

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InChI: InChI=1S/C39H65NO14/c1-11-29-26(19-50-39-37(49-10)36(48-9)33(46)24(6)52-39)16-20(2)12-13-27(42)21(3)17-25(14-15-41)35(22(4)28(43)18-30(44)53-29)54-38-34(47)31(40(7)8)32(45)23(5)51-38/h12-13,15-16,21-26,28-29,31-39,43,45-47H,11,14,17-19H2,1-10H3/b13-12+,20-16+/t21-,22+,23-,24-,25+,26-,28-,29-,31+,32-,33-,34-,35-,36-,37-,38+,39-/m1/s1

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InChIKey: QRPHLEPFYLNRDA-NLGRAQRVSA-N

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Source

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

Properties Information

Molecule Weight: 771.9420000000002

TPSA？: 199.98

MolLogP？: 1.562400000000006

Number of H-Donors: 4

Number of H-Acceptors: 15

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Anaerococcus prevotii Anaerococcus prevotii MIC 4.0 ug.mL-1 10.1021/jm00403a025
Bacteroides fragilis Bacteroides fragilis MIC 8.0 ug.mL-1 10.1021/jm00403a025
Bacteroides thetaiotaomicron Bacteroides thetaiotaomicron MIC 2.0 ug.mL-1 10.1021/jm00403a025
Chlamydia trachomatis Chlamydia trachomatis MIC 0.5 ug.mL-1 10.1021/jm00403a025
Clostridioides difficile Clostridioides difficile MIC 0.25 ug.mL-1 10.1021/jm00403a025
Clostridium perfringens Clostridium perfringens MIC 0.25 ug.mL-1 10.1021/jm00403a025
Clostridium septicum Clostridium septicum MIC 2.0 ug.mL-1 10.1021/jm00403a025
Collinsella aerofaciens Collinsella aerofaciens MIC 0.12 ug.mL-1 10.1021/jm00403a025
Cutibacterium acnes Cutibacterium acnes MIC 2.0 ug.mL-1 10.1021/jm00403a025
Eikenella corrodens Eikenella corrodens MIC 8.0 ug.mL-1 10.1021/jm00403a025
Enterococcus faecium Enterococcus faecium MIC 4.0 ug.mL-1 10.1021/jm00403a025
Fusobacterium Fusobacterium MIC 2.0 ug.mL-1 10.1021/jm00403a025
Fusobacterium necrophorum Fusobacterium necrophorum MIC 1.0 ug.mL-1 10.1021/jm00403a025
Haemophilus influenzae Haemophilus influenzae MIC 4.0 ug.mL-1 10.1021/jm00403a025
Haemophilus influenzae Haemophilus influenzae MIC 8.0 ug.mL-1 10.1021/jm00403a025
Haemophilus influenzae Haemophilus influenzae MIC 16.0 ug.mL-1 10.1021/jm00403a025
Haemophilus influenzae Haemophilus influenzae MIC 32.0 ug.mL-1 10.1021/jm00403a025
Haemophilus parainfluenzae Haemophilus parainfluenzae MIC 8.0 ug.mL-1 10.1021/jm00403a025
Mus musculus Mus musculus Concentration nan None 10.1021/jm00403a025
Peptoniphilus asaccharolyticus Peptoniphilus asaccharolyticus MIC 8.0 ug.mL-1 10.1021/jm00403a025
Peptostreptococcus anaerobius Peptostreptococcus anaerobius MIC 4.0 ug.mL-1 10.1021/jm00403a025
Phocaeicola vulgatus Phocaeicola vulgatus MIC 8.0 ug.mL-1 10.1021/jm00403a025
Prevotella melaninogenica Prevotella melaninogenica MIC 8.0 ug.mL-1 10.1021/jm00403a025
Prevotella melaninogenica Prevotella melaninogenica MIC 16.0 ug.mL-1 10.1021/jm00403a025
Rattus norvegicus Rattus norvegicus Concentration nan None 10.1021/jm00403a025
Staphylococcus Staphylococcus MIC 0.25 ug.mL-1 10.1021/jm00403a025
Staphylococcus Staphylococcus MIC 0.5 ug.mL-1 10.1021/jm00403a025
Staphylococcus Staphylococcus MIC 1.0 ug.mL-1 10.1021/jm00403a025
Staphylococcus aureus Staphylococcus aureus ED50 3.9 mg.kg-1 10.1021/jm00403a025
Staphylococcus aureus Staphylococcus aureus ED50 100.0 mg.kg-1 10.1021/jm00403a025
Staphylococcus aureus Staphylococcus aureus MIC 0.5 ug.mL-1 10.1021/jm00403a025
Staphylococcus aureus Staphylococcus aureus MIC 1.0 ug.mL-1 10.1021/jm00403a025
Staphylococcus epidermidis Staphylococcus epidermidis MIC 0.25 ug.mL-1 10.1021/jm00403a025
Staphylococcus epidermidis Staphylococcus epidermidis MIC 0.5 ug.mL-1 10.1021/jm00403a025
Staphylococcus epidermidis Staphylococcus epidermidis MIC 128.0 ug.mL-1 10.1021/jm00403a025
Streptococcus Streptococcus MIC 0.5 ug.mL-1 10.1021/jm00403a025
Streptococcus pneumoniae Streptococcus pneumoniae ED50 10.0 mg.kg-1 10.1021/jm00403a025
Streptococcus pneumoniae Streptococcus pneumoniae ED50 100.0 mg.kg-1 10.1021/jm00403a025
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.25 ug.mL-1 10.1021/jm00403a025
Streptococcus pneumoniae Streptococcus pneumoniae MIC 128.0 ug.mL-1 10.1021/jm00403a025
Streptococcus pyogenes Streptococcus pyogenes ED50 0.25 mg.kg-1 10.1021/jm00403a025
Streptococcus pyogenes Streptococcus pyogenes ED50 0.8 mg.kg-1 10.1021/jm00403a025
Streptococcus pyogenes Streptococcus pyogenes ED50 1.4 mg.kg-1 10.1021/jm00403a025
Streptococcus pyogenes Streptococcus pyogenes ED50 84.0 mg.kg-1 10.1021/jm00403a025
Streptococcus pyogenes Streptococcus pyogenes MIC 0.25 ug.mL-1 10.1021/jm00403a025
Streptococcus pyogenes Streptococcus pyogenes MIC 80.0 ug.mL-1 10.1021/jm00403a025
Streptococcus sanguinis Streptococcus sanguinis MIC 0.5 ug.mL-1 10.1021/jm00403a025
Streptococcus viridans Streptococcus viridans MIC 128.0 ug.mL-1 10.1021/jm00403a025
None Unchecked MIC 16.0 ug.mL-1 10.1021/jm00403a025

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT010250 CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1OC.C[SAH]>>CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC RXN-15071