Natural Product: NPC469836

Natural Product ID:  NPC469836
Common Name:   3-Decanoyll Tetramic Acid
IUPAC Name:   (3Z)-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione
Synonyms:  
Molecular Formula:   C14H23NO3
Standard InCHIKey:  USWXONDRQANYOY-QBFSEMIESA-N
Standard InCHI:  InChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-11(16)13-12(17)10-15-14(13)18/h16H,2-10H2,1H3,(H,15,18)/b13-11-
Canonical SMILES:  CCCCCCCCC/C(=C/1C(=O)CN=C1O)/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
NPO21926 Pseudomonas aeruginosa Species Pseudomonadaceae Bacteria PMID[19917748]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 100000 nM 18364258
NPT2940 Organism Clostridium difficile Clostridium difficile FC = 100000 11429990
NPT2 Others Unspecified IC50 = 30000 nM 16441066

  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 NPC469836 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
0.9706 High Similarity NPC469835
0.8684 High Similarity NPC469838
0.8684 High Similarity NPC469833
0.7945 Intermediate Similarity NPC4706
0.7215 Intermediate Similarity NPC263266
0.6562 Remote Similarity NPC175531
0.6562 Remote Similarity NPC313234
0.6429 Remote Similarity NPC474563
0.6389 Remote Similarity NPC40148
0.6353 Remote Similarity NPC477485
0.631 Remote Similarity NPC46268
0.631 Remote Similarity NPC477484
0.631 Remote Similarity NPC477486
0.6286 Remote Similarity NPC476814
0.6286 Remote Similarity NPC476813
0.6176 Remote Similarity NPC307903
0.6176 Remote Similarity NPC140251
0.6117 Remote Similarity NPC24389
0.6104 Remote Similarity NPC316674
0.6081 Remote Similarity NPC192843
0.6076 Remote Similarity NPC187315
0.6058 Remote Similarity NPC476290
0.6053 Remote Similarity NPC130807
0.6053 Remote Similarity NPC6795
0.6 Remote Similarity NPC469598
0.5974 Remote Similarity NPC29468
0.5955 Remote Similarity NPC473810
0.5946 Remote Similarity NPC469515
0.5943 Remote Similarity NPC476269
0.5926 Remote Similarity NPC249713
0.5914 Remote Similarity NPC34754
0.5882 Remote Similarity NPC472616
0.5867 Remote Similarity NPC281230
0.5867 Remote Similarity NPC245650
0.5854 Remote Similarity NPC280065
0.5854 Remote Similarity NPC291196
0.5854 Remote Similarity NPC471022
0.5854 Remote Similarity NPC45060
0.5854 Remote Similarity NPC103712
0.5833 Remote Similarity NPC144419
0.5816 Remote Similarity NPC175614
0.5806 Remote Similarity NPC472614
0.5795 Remote Similarity NPC471597
0.5789 Remote Similarity NPC469494
0.5769 Remote Similarity NPC273614
0.5765 Remote Similarity NPC7382
0.5761 Remote Similarity NPC319913
0.5758 Remote Similarity NPC4834
0.5729 Remote Similarity NPC472264
0.5727 Remote Similarity NPC476190
0.5714 Remote Similarity NPC312826
0.5714 Remote Similarity NPC471595
0.5714 Remote Similarity NPC329003
0.5714 Remote Similarity NPC325550
0.5714 Remote Similarity NPC106309
0.5714 Remote Similarity NPC326524
0.5699 Remote Similarity NPC322672
0.5698 Remote Similarity NPC89374
0.5698 Remote Similarity NPC476924
0.5698 Remote Similarity NPC476923
0.5686 Remote Similarity NPC128501
0.5673 Remote Similarity NPC472615
0.5641 Remote Similarity NPC309877
0.5638 Remote Similarity NPC473525
0.5632 Remote Similarity NPC182848
0.5618 Remote Similarity NPC258231
0.5612 Remote Similarity NPC116930
0.5604 Remote Similarity NPC474312
0.56 Remote Similarity NPC273023

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC469836 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   54726231
ChEMBL   CHEMBL1213028
ZINC  

Physicochemical Properties

Molecular Weight:  253.17
ALogP:  -2.5472
MLogP:  2.56
XLogP:  4.324
# Rotatable Bonds:  11
Polar Surface Area:  69.89
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  18

Download Data

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Biological Activities  
Similar NPs/Drugs