Natural Product: NPC316309

Natural Product ID:  NPC316309
Common Name:   Aureothricin
IUPAC Name:   N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)propanamide
Synonyms:   Aureothricin
Molecular Formula:   C9H10N2O2S2
Standard InCHIKey:  UGZYFXMSMFMTSM-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H10N2O2S2/c1-3-6(12)10-7-8-5(4-14-15-8)11(2)9(7)13/h4H,3H2,1-2H3,(H,10,12)
Canonical SMILES:  CCC(=Nc1c(=O)n(c2c1ssc2)C)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO33537 Saccharothrix algeriensis Species Pseudonocardiaceae Bacteria isolated from a Saharan soil sample Adrar, southwest of Algeria 1992 PMID[20507156]
NPO22810 Streptomyces Species Streptomycetaceae Bacteria StreptomeDB*
NPO14945 Streptomyces kasugaensis Species Streptomycetaceae Bacteria StreptomeDB*
NPO32124 Streptomyces 26a Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 20 ug/ml 20507156
NPT1823 Organism Bacillus coagulans Bacillus coagulans MIC = 20 ug/ml 20507156
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 20 ug/ml 20507156
NPT5959 Organism Umbelopsis ramanniana Umbelopsis ramanniana MIC = 20 ug/ml 20507156
NPT3086 Organism Penicillium expansum Penicillium expansum MIC = 20 ug/ml 20507156
NPT3685 Organism Fusarium equiseti Fusarium equiseti MIC = 20 ug/ml 20507156
NPT1278 Organism Fusarium culmorum Fusarium culmorum MIC = 20 ug/ml 20507156
NPT2 Others Unspecified MIC = 40 ug/ml 20507156
NPT637 Organism Fusarium oxysporum Fusarium oxysporum MIC = 40 ug/ml 20507156
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC = 40 ug/ml 20507156
NPT19 Organism Escherichia coli Escherichia coli MIC = 75 ug/ml 20507156
NPT4083 Organism Gibberella fujikuroi Gibberella fujikuroi MIC = 75 ug/ml 20507156
NPT1276 Organism Gibberella zeae Gibberella zeae MIC = 75 ug/ml 20507156
NPT20 Organism Candida albicans Candida albicans MIC = 75 ug/ml 20507156
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 100 ug/ml 20507156
NPT564 Organism Listeria monocytogenes Listeria monocytogenes MIC > 100 ug/ml 20507156
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC > 100 ug/ml 20507156
NPT1190 Organism Salmonella enterica Salmonella enterica MIC > 100 ug/ml 20507156
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 100 ug/ml 20507156
NPT141 Organism Agrobacterium tumefaciens Agrobacterium tumefaciens MIC > 100 ug/ml 20507156

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC316309 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9688 High Similarity NPC40598
0.9552 High Similarity NPC477862
0.9412 High Similarity NPC477863
0.8657 High Similarity NPC477864
0.6522 Remote Similarity NPC314800

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC316309 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
NPD

Structure

External Identifiers

PubChem CID   68460
ChEMBL   CHEMBL1163542
ZINC  

Physicochemical Properties

Molecular Weight:  242.02
ALogP:  -0.2726
MLogP:  1.79
XLogP:  0.889
# Rotatable Bonds:  5
Polar Surface Area:  103.5
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  15

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