MILDIOMYCIN

/static/temp/default.svg Search structure
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 AEVNGQKCBVULBP-YARLIKFLSA-N
Smiles N[C@@H](CO)C(=O)N[C@H]1C=C[C@@H](O[C@H]1C(O)(CC(O)CNC(=N)N)C(=O)O)N2C=C(CO)C(=NC2O)N
InChI
InChI=1S/C19H32N8O9/c20-10(7-29)15(31)25-11-1-2-12(27-5-8(6-28)14(21)26-18(27)34)36-13(11)19(35,16(32)33)3-9(30)4-24-17(22)23/h1-2,5,9-13,18,28-30,34-35H,3-4,6-7,20H2,(H2,21,26)(H,25,31)(H,32,33)(H4,22,23,24)/t9?,10-,11-,12+,13+,18?,19?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H32N8O9
Molecular Weight 516.51
AlogP -7.62
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 12.0
Number of Rotational Bond 12.0
Polar Surface Area 306.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 36.0
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 aerial mycelial growth at 4 ug/disk after 5 days by paper disk method Streptomyces alboniger None
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 22.0 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 11.0 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 28.0 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 None
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 None
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 12.0 mm

Cross References

Resources Reference
ChEMBL CHEMBL2287190
PubChem 76316445
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