Natural Product: NPC141914

Natural Product ID:  NPC141914
Common Name:   N,N-Dimethyldecanamide
IUPAC Name:   N,N-dimethyldecanamide
Synonyms:  
Molecular Formula:   C12H25NO
Standard InCHIKey:  HNXNKTMIVROLTK-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3
Canonical SMILES:  CCCCCCCCCC(=O)N(C)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
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 69637.2 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 69637.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1764 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62588.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62064.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24708.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17639.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27723.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1979.2 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 NPC141914 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
0.6863 Remote Similarity NPC471607
0.6667 Remote Similarity NPC248956
0.625 Remote Similarity NPC42403
0.625 Remote Similarity NPC4962
0.625 Remote Similarity NPC222997
0.625 Remote Similarity NPC196434
0.625 Remote Similarity NPC221192
0.625 Remote Similarity NPC79887
0.625 Remote Similarity NPC153439
0.625 Remote Similarity NPC29561
0.6222 Remote Similarity NPC234196
0.6098 Remote Similarity NPC168982
0.6053 Remote Similarity NPC166294
0.6047 Remote Similarity NPC323644
0.6 Remote Similarity NPC198118
0.6 Remote Similarity NPC295442
0.6 Remote Similarity NPC38859
0.5952 Remote Similarity NPC225318
0.5952 Remote Similarity NPC268596
0.5952 Remote Similarity NPC76608
0.5952 Remote Similarity NPC16578
0.5952 Remote Similarity NPC179831
0.5952 Remote Similarity NPC149101
0.5952 Remote Similarity NPC262505
0.5952 Remote Similarity NPC254713
0.5952 Remote Similarity NPC261991
0.5952 Remote Similarity NPC49151
0.5846 Remote Similarity NPC328895
0.5692 Remote Similarity NPC271803
0.5692 Remote Similarity NPC290231
0.5692 Remote Similarity NPC266383
0.5692 Remote Similarity NPC68043
0.5692 Remote Similarity NPC180401
0.5692 Remote Similarity NPC48448
0.5692 Remote Similarity NPC206241
0.5682 Remote Similarity NPC49615

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC141914 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
0.7451 Intermediate Similarity NPD4281 Clinical (unspecified phase)
0.6098 Remote Similarity NPD2706 Approved
0.6098 Remote Similarity NPD2705 Approved
0.6098 Remote Similarity NPD3734 Approved
0.6 Remote Similarity NPD2271 Phase 3
0.5952 Remote Similarity NPD5385 Approved
0.5952 Remote Similarity NPD2274 Approved
0.5952 Remote Similarity NPD2275 Approved
0.5952 Remote Similarity NPD5384 Approved
0.569 Remote Similarity NPD605 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   26690
ChEMBL   CHEMBL3184590
ZINC  

Physicochemical Properties

Molecular Weight:  199.19
ALogP:  -2.3601
MLogP:  2.56
XLogP:  4.088
# Rotatable Bonds:  12
Polar Surface Area:  20.31
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  14

Download Data

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