Natural Product: NPC277333

Natural Product ID:  NPC277333
Common Name:   Tetradecanamide
IUPAC Name:   tetradecanamide
Synonyms:   Tetradecanamide; Tetradecanoic Acid Amide
Molecular Formula:   C14H29NO
Standard InCHIKey:  QEALYLRSRQDCRA-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)
Canonical SMILES:  CCCCCCCCCCCCCC(=N)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
NPO12446 Folium ilicis cornutae NA NA NA TCMSP*
NPO9927.2 Crinum asiaticum var. sinicum Varieties Amaryllidaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 2570395.78 nM 16554156
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 5128613.84 nM 16554156
NPT19 Organism Escherichia coli Escherichia coli MIC = 3090295.43 nM 16554156

  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 NPC277333 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
0.9444 High Similarity NPC31557
0.9444 High Similarity NPC28394
0.8529 High Similarity NPC95174
0.8 Intermediate Similarity NPC241279
0.7619 Intermediate Similarity NPC326521
0.7111 Intermediate Similarity NPC289484
0.7111 Intermediate Similarity NPC319709
0.7083 Intermediate Similarity NPC49494
0.7083 Intermediate Similarity NPC188341
0.6875 Remote Similarity NPC261571
0.6757 Remote Similarity NPC147096
0.6757 Remote Similarity NPC24506
0.6757 Remote Similarity NPC185041
0.6757 Remote Similarity NPC112242
0.6757 Remote Similarity NPC225783
0.6757 Remote Similarity NPC163556
0.6757 Remote Similarity NPC236797
0.6667 Remote Similarity NPC254685
0.6667 Remote Similarity NPC319110
0.6667 Remote Similarity NPC329181
0.6579 Remote Similarity NPC126915
0.641 Remote Similarity NPC1748
0.641 Remote Similarity NPC72324
0.641 Remote Similarity NPC139131
0.641 Remote Similarity NPC193062
0.641 Remote Similarity NPC272998
0.641 Remote Similarity NPC319034
0.641 Remote Similarity NPC185538
0.641 Remote Similarity NPC181516
0.641 Remote Similarity NPC66124
0.641 Remote Similarity NPC291158
0.641 Remote Similarity NPC205141
0.6296 Remote Similarity NPC476537
0.6296 Remote Similarity NPC216415
0.625 Remote Similarity NPC121062
0.625 Remote Similarity NPC29222
0.625 Remote Similarity NPC96966
0.6216 Remote Similarity NPC279895
0.6154 Remote Similarity NPC267243
0.6154 Remote Similarity NPC122962
0.6098 Remote Similarity NPC97967
0.6047 Remote Similarity NPC111686
0.6 Remote Similarity NPC12231
0.6 Remote Similarity NPC152759
0.5962 Remote Similarity NPC270041
0.5952 Remote Similarity NPC474914
0.5952 Remote Similarity NPC474392
0.5814 Remote Similarity NPC177022
0.5814 Remote Similarity NPC74352
0.5769 Remote Similarity NPC123814
0.5769 Remote Similarity NPC474322
0.5686 Remote Similarity NPC50457
0.5667 Remote Similarity NPC470108
0.5641 Remote Similarity NPC110884
0.5614 Remote Similarity NPC329003
0.5614 Remote Similarity NPC325550
0.5614 Remote Similarity NPC326524
0.56 Remote Similarity NPC193872

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC277333 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
0.75 Intermediate Similarity NPD9453 Phase 3
0.7111 Intermediate Similarity NPD3211 Approved
0.6889 Remote Similarity NPD1152 Phase 2
0.6757 Remote Similarity NPD8794 Clinical (unspecified phase)
0.6739 Remote Similarity NPD379 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8622 Discontinued
0.641 Remote Similarity NPD2272 Approved
0.641 Remote Similarity NPD5383 Approved
0.6 Remote Similarity NPD3214 Discontinued
0.5769 Remote Similarity NPD3215 Phase 1
0.5686 Remote Similarity NPD324 Approved

Structure

External Identifiers

PubChem CID   69492
ChEMBL   CHEMBL88158
ZINC  

Physicochemical Properties

Molecular Weight:  227.22
ALogP:  -3.1635
MLogP:  2.78
XLogP:  6.838
# Rotatable Bonds:  14
Polar Surface Area:  44.08
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  16

Download Data

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