JOSAMYCIN

/static/temp/default.svg Search structure
Synonyms
UNII HV13HFS217
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key XJSFLOJWULLJQS-NGVXBBESSA-N
Smiles CO[C@H]1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)OC(=O)C
InChI
InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H69NO15
Molecular Weight 827.99
AlogP 2.96
Hydrogen Bond Acceptor 16.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 14.0
Polar Surface Area 206.04
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 58.0
Assay Description Organism Bioactivity Reference
Antimicrobial activity against Streptomyces alboniger IFO 12738 assessed as inhibition of aerial mycelial growth at 0.04 ug/disk after 5 days by paper disk method Streptomyces alboniger None
Antimicrobial activity against Streptomyces alboniger IFO 12738 assessed as inhibition of aerial mycelial growth at 0.4 ug/disk after 5 days by paper disk method Streptomyces alboniger None
Antimicrobial activity against Streptomyces alboniger IFO 12738 assessed as inhibition of growth at 4 ug/disk after 5 days by paper disk method Streptomyces alboniger 14.0 mm
Antimicrobial activity against Streptomyces alboniger IFO 12738 assessed as inhibition of aerial mycelial growth at 4 ug/disk after 5 days by paper disk method Streptomyces alboniger 15.0 mm
Antimicrobial activity against Streptomyces acidiscabies ATCC 4900315 assessed as inhibition of growth at 4 ug/disk after 5 days by paper disk method Streptomyces acidiscabies 10.0 mm
Antimicrobial activity against Streptomyces acidiscabies ATCC 4900315 assessed as inhibition of aerial mycelial growth at 0.4 ug/disk after 5 days by paper disk method Streptomyces acidiscabies 13.0 mm
Antimicrobial activity against Streptomyces acidiscabies ATCC 4900315 assessed as inhibition of aerial mycelial growth at 0.04 ug/disk after 5 days by paper disk method Streptomyces acidiscabies None
Antimicrobial activity against Streptomyces acidiscabies ATCC 4900315 assessed as inhibition of aerial mycelial growth at 4 ug/disk after 5 days by paper disk method Streptomyces acidiscabies 17.0 mm
Antimicrobial activity against Streptomyces scabiei ATCC 4917314 assessed as inhibition of growth at 0.4 ug/disk after 5 days by paper disk method Streptomyces scabiei 11.0 mm
Antimicrobial activity against Streptomyces scabiei ATCC 4917314 assessed as inhibition of aerial mycelial growth at 0.04 ug/disk after 5 days by paper disk method Streptomyces scabiei 15.0 mm
Antimicrobial activity against Streptomyces scabiei ATCC 4917314 assessed as inhibition of growth at 4 ug/disk after 5 days by paper disk method Streptomyces scabiei 21.0 mm
Antimicrobial activity against Streptomyces scabiei ATCC 4917314 assessed as inhibition of aerial mycelial growth at 4 ug/disk after 5 days by paper disk method Streptomyces scabiei 29.0 mm
Antimicrobial activity against Streptomyces scabiei ATCC 4917314 assessed as inhibition of aerial mycelial growth at 0.40 ug/disk after 5 days by paper disk method Streptomyces scabiei 17.0 mm

Cross References

Resources Reference
ChEMBL CHEMBL224436
FDA SRS HV13HFS217
PubChem 5282165
SureChEMBL SCHEMBL132829
CONTENTS