Natural Product: NPC299114

Natural Product ID:  NPC299114
Common Name:   Triacsin C
IUPAC Name:   N-[(E)-[(2E,4E,7E)-undeca-2,4,7-trienylidene]amino]nitrous amide
Synonyms:   Triacsin C
Molecular Formula:   C11H17N3O
Standard InCHIKey:  NKTGCVUIESDXPU-YLEPRARLSA-N
Standard InCHI:  InChI=1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-5,7-11H,2-3,6H2,1H3,(H,13,15)/b5-4+,8-7+,10-9+,12-11+
Canonical SMILES:  CCC/C=C/C/C=C/C=C/C=N/N=NO
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
NPO22810 Streptomyces Species Streptomycetaceae Bacteria StreptomeDB*
NPO25944 Streptomyces aureofaciens Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT5610 Organism Rotavirus Rotavirus ED50 = 0.2 nM 22365411
NPT2 Others Unspecified TD50 = 49.6 nM 22365411
NPT2 Others Unspecified Ratio TD50/ED50 = 248 22365411
NPT2 Others Unspecified EC50 = 358 nM 24480468

  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 NPC299114 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
0.6923 Remote Similarity NPC307435
0.6923 Remote Similarity NPC267692
0.6792 Remote Similarity NPC304223
0.6792 Remote Similarity NPC267340
0.6792 Remote Similarity NPC54542
0.6792 Remote Similarity NPC145032
0.6792 Remote Similarity NPC243539
0.6667 Remote Similarity NPC195986
0.6545 Remote Similarity NPC303672
0.6545 Remote Similarity NPC119655
0.6429 Remote Similarity NPC132669
0.6429 Remote Similarity NPC305288
0.6429 Remote Similarity NPC44193
0.6429 Remote Similarity NPC269800
0.6429 Remote Similarity NPC246519
0.6429 Remote Similarity NPC163912
0.6429 Remote Similarity NPC167759
0.6429 Remote Similarity NPC123669
0.6429 Remote Similarity NPC184014
0.6429 Remote Similarity NPC56028
0.6429 Remote Similarity NPC14234
0.6316 Remote Similarity NPC471992
0.6316 Remote Similarity NPC297020
0.6316 Remote Similarity NPC273023
0.6316 Remote Similarity NPC471991
0.6226 Remote Similarity NPC91044
0.6207 Remote Similarity NPC261158
0.6207 Remote Similarity NPC306420
0.6207 Remote Similarity NPC24216
0.6207 Remote Similarity NPC477049
0.6207 Remote Similarity NPC104138
0.5902 Remote Similarity NPC312826
0.5862 Remote Similarity NPC124382
0.5862 Remote Similarity NPC13011
0.5833 Remote Similarity NPC245650
0.5806 Remote Similarity NPC6795
0.5714 Remote Similarity NPC324077
0.5667 Remote Similarity NPC4881
0.5625 Remote Similarity NPC471023
0.5625 Remote Similarity NPC77891

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC299114 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
0.6154 Remote Similarity NPD860 Phase 2
0.5789 Remote Similarity NPD9422 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   9576787
ChEMBL   CHEMBL1952387
ZINC  

Physicochemical Properties

Molecular Weight:  207.14
ALogP:  1.4229
MLogP:  2.23
XLogP:  2.858
# Rotatable Bonds:  9
Polar Surface Area:  57.31
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  15

Download Data

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Biological Activities  
Similar NPs/Drugs