Natural Product: NPC16561

Natural Product ID:  NPC16561
Common Name:   11-Bromoundec-1-Ene
IUPAC Name:   11-bromoundec-1-ene
Synonyms:  
Molecular Formula:   C11H21Br
Standard InCHIKey:  YPLVPFUSXYSHJD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H21Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-11H2
Canonical SMILES:  BrCCCCCCCCCC=C
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
NPO30946 Pumex NA NA NA HerDing*
NPO6456 Concretio silicea bambusae NA NA NA TCMID*
NPO2437 Herba elephantopi scaberis NA NA NA TCMID*
NPO26698 Pumex NA NA NA TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 29934.9 nM PubChem BioAssay data set

  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 NPC16561 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
0.8214 Intermediate Similarity NPC38513
0.7931 Intermediate Similarity NPC266539
0.7931 Intermediate Similarity NPC31891
0.7931 Intermediate Similarity NPC287191
0.7931 Intermediate Similarity NPC266144
0.7586 Intermediate Similarity NPC88325
0.7419 Intermediate Similarity NPC76765
0.7419 Intermediate Similarity NPC179103
0.6765 Remote Similarity NPC151719
0.6552 Remote Similarity NPC127355
0.6389 Remote Similarity NPC62779
0.6341 Remote Similarity NPC160588
0.6216 Remote Similarity NPC182392
0.6207 Remote Similarity NPC178306
0.6176 Remote Similarity NPC34671
0.6098 Remote Similarity NPC469969
0.6071 Remote Similarity NPC33192
0.5897 Remote Similarity NPC216416
0.5882 Remote Similarity NPC138325
0.587 Remote Similarity NPC475153
0.5862 Remote Similarity NPC225855
0.5833 Remote Similarity NPC471327
0.5833 Remote Similarity NPC196831
0.5833 Remote Similarity NPC3649
0.5833 Remote Similarity NPC100879
0.5814 Remote Similarity NPC99746
0.5745 Remote Similarity NPC475071
0.5714 Remote Similarity NPC138113
0.5641 Remote Similarity NPC213767

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC16561 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   284148
ChEMBL   CHEMBL1702186
ZINC  

Physicochemical Properties

Molecular Weight:  232.08
ALogP:  -0.1525
MLogP:  2.56
XLogP:  6.28
# Rotatable Bonds:  10
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  12

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs