Natural Product: NPC469835

Natural Product ID:  NPC469835
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H25NO3
Standard InCHIKey:  KHTHQNHXMCUIBE-IBPBOOLHSA-N
Standard InCHI:  InChI=1S/C15H25NO3/c1-3-4-5-6-7-8-9-10-12(17)13-14(18)11(2)16-15(13)19/h11,17H,3-10H2,1-2H3,(H,16,19)/b13-12-/t11-/m0/s1
Canonical SMILES:  CCCCCCCCC/C(=C1/C(=N[C@H](C1=O)C)O)/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
NPT2 Others Unspecified IC50 = 20000 nM 16789753
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 100000 nM 18364258

  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 NPC469835 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 NPC469836
0.8947 High Similarity NPC469833
0.8947 High Similarity NPC469838
0.8219 Intermediate Similarity NPC4706
0.7037 Intermediate Similarity NPC263266
0.6771 Remote Similarity NPC313234
0.6633 Remote Similarity NPC474563
0.6476 Remote Similarity NPC476813
0.6476 Remote Similarity NPC476814
0.6429 Remote Similarity NPC175531
0.6373 Remote Similarity NPC140251
0.6373 Remote Similarity NPC307903
0.6234 Remote Similarity NPC29468
0.6216 Remote Similarity NPC40148
0.6207 Remote Similarity NPC477485
0.6163 Remote Similarity NPC477484
0.6163 Remote Similarity NPC46268
0.6163 Remote Similarity NPC477486
0.6129 Remote Similarity NPC34754
0.6098 Remote Similarity NPC45060
0.6098 Remote Similarity NPC291196
0.6098 Remote Similarity NPC280065
0.6098 Remote Similarity NPC103712
0.604 Remote Similarity NPC469598
0.6 Remote Similarity NPC24389
0.5978 Remote Similarity NPC319913
0.596 Remote Similarity NPC4834
0.5949 Remote Similarity NPC316674
0.5943 Remote Similarity NPC476290
0.5926 Remote Similarity NPC187315
0.5922 Remote Similarity NPC472616
0.5921 Remote Similarity NPC192843
0.5914 Remote Similarity NPC322672
0.5897 Remote Similarity NPC130807
0.5897 Remote Similarity NPC6795
0.5851 Remote Similarity NPC472614
0.5851 Remote Similarity NPC473525
0.5843 Remote Similarity NPC471597
0.5841 Remote Similarity NPC469515
0.5833 Remote Similarity NPC476269
0.5824 Remote Similarity NPC474312
0.5824 Remote Similarity NPC473810
0.5814 Remote Similarity NPC288086
0.5783 Remote Similarity NPC249713
0.5761 Remote Similarity NPC471595
0.573 Remote Similarity NPC469492
0.5714 Remote Similarity NPC281230
0.5714 Remote Similarity NPC471022
0.5714 Remote Similarity NPC472615
0.5714 Remote Similarity NPC245650
0.57 Remote Similarity NPC175614
0.5698 Remote Similarity NPC144419
0.569 Remote Similarity NPC469494
0.5667 Remote Similarity NPC469517
0.566 Remote Similarity NPC475800
0.5657 Remote Similarity NPC116930
0.5652 Remote Similarity NPC39966
0.5648 Remote Similarity NPC113012
0.5648 Remote Similarity NPC122926
0.5632 Remote Similarity NPC7382
0.5631 Remote Similarity NPC474873
0.5625 Remote Similarity NPC476190
0.5625 Remote Similarity NPC273614
0.5612 Remote Similarity NPC472264
0.561 Remote Similarity NPC477525
0.56 Remote Similarity NPC469424

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC469835 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  
ChEMBL   CHEMBL1213027
ZINC  

Physicochemical Properties

Molecular Weight:  267.18
ALogP:  -2.4512
MLogP:  2.67
XLogP:  4.958
# Rotatable Bonds:  12
Polar Surface Area:  69.89
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  19

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs