Natural Product: NPC310810

Natural Product ID:  NPC310810
Common Name:   (All Trans)-2,4,6,8,10,12-Tetradecahexene-1,14-Dial
IUPAC Name:   (2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial
Synonyms:  
Molecular Formula:   C14H14O2
Standard InCHIKey:  LSSFWUWIGASWGW-CZBFJCMTSA-N
Standard InCHI:  InChI=1S/C14H14O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-14H/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+
Canonical SMILES:  O=C/C=C/C=C/C=C/C=C/C=C/C=C/C=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
NPO32979 conidiobolus paulus Species Ancylistaceae Eukaryota PMID[8699189]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT19 Organism Escherichia coli Escherichia coli MIC = 50 ug 10579864
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 10 ug 10579864

  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 NPC310810 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
0.9375 High Similarity NPC146507
0.9062 High Similarity NPC144407
0.8125 Intermediate Similarity NPC8466
0.8056 Intermediate Similarity NPC8416
0.7895 Intermediate Similarity NPC323278
0.7647 Intermediate Similarity NPC273054
0.75 Intermediate Similarity NPC72258
0.75 Intermediate Similarity NPC208936
0.7429 Intermediate Similarity NPC109034
0.7419 Intermediate Similarity NPC235797
0.7297 Intermediate Similarity NPC75204
0.7179 Intermediate Similarity NPC33761
0.7105 Intermediate Similarity NPC279300
0.6829 Remote Similarity NPC33489
0.6667 Remote Similarity NPC67920
0.6667 Remote Similarity NPC298710
0.6667 Remote Similarity NPC287397
0.6667 Remote Similarity NPC254764
0.6585 Remote Similarity NPC12319
0.6585 Remote Similarity NPC101147
0.6585 Remote Similarity NPC18205
0.65 Remote Similarity NPC63598
0.6304 Remote Similarity NPC324812
0.6279 Remote Similarity NPC102879
0.625 Remote Similarity NPC107877
0.619 Remote Similarity NPC297608
0.619 Remote Similarity NPC281043
0.5952 Remote Similarity NPC147824
0.5918 Remote Similarity NPC30433
0.5814 Remote Similarity NPC250954
0.575 Remote Similarity NPC60675
0.575 Remote Similarity NPC297363
0.5714 Remote Similarity NPC226511
0.5676 Remote Similarity NPC323552
0.566 Remote Similarity NPC477790
0.5641 Remote Similarity NPC304788
0.5625 Remote Similarity NPC90490
0.561 Remote Similarity NPC65353

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC310810 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
0.5854 Remote Similarity NPD9115 Approved

Structure

External Identifiers

PubChem CID   6440797
ChEMBL   CHEMBL451517
ZINC  

Physicochemical Properties

Molecular Weight:  214.10
ALogP:  2.2086
MLogP:  2.78
XLogP:  2.794
# Rotatable Bonds:  7
Polar Surface Area:  34.14
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  16

Download Data

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Biological Activities  
Similar NPs/Drugs