Natural Product: NPC307435

Natural Product ID:  NPC307435
Common Name:   N-Isobutyl-2E,4E,8Z-Decatrienamide
IUPAC Name:   (2E,4E,8Z)-N-(2-methylpropyl)deca-2,4,8-trienamide
Synonyms:  
Molecular Formula:   C14H23NO
Standard InCHIKey:  OCUXKVCDBHKIIP-QYHQRLDKSA-N
Standard InCHI:  InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,15,16)/b5-4-,9-8+,11-10+
Canonical SMILES:  C/C=CCC/C=C/C=C/C(=NCC(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
NPO27802 Candida albicaus Species Debaryomycetaceae Eukaryota UNPD*
NPO28039 Alstonia vitiensis Species Apocynaceae Eukaryota UNPD*
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota roots PMID[22381047]
NPO18647 Achillea falcata Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens EC50 = 3600 nM 22381047
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens EC50 = 4900 nM 22381047
NPT2 Others Unspecified EC50 = 2000 nM 22381047
NPT866 Individual Protein Peroxisome proliferator-activated receptor alpha Homo sapiens EC50 = 4000 nM 22381047

  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 NPC307435 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
1.0 High Similarity NPC267692
0.9787 High Similarity NPC145032
0.9787 High Similarity NPC304223
0.9787 High Similarity NPC267340
0.9787 High Similarity NPC54542
0.9787 High Similarity NPC243539
0.9583 High Similarity NPC195986
0.9388 High Similarity NPC303672
0.9388 High Similarity NPC119655
0.92 High Similarity NPC56028
0.92 High Similarity NPC167759
0.92 High Similarity NPC305288
0.92 High Similarity NPC123669
0.92 High Similarity NPC163912
0.902 High Similarity NPC471992
0.902 High Similarity NPC273023
0.902 High Similarity NPC471991
0.902 High Similarity NPC297020
0.8846 High Similarity NPC306420
0.8846 High Similarity NPC477049
0.8846 High Similarity NPC104138
0.8846 High Similarity NPC261158
0.8846 High Similarity NPC24216
0.8824 High Similarity NPC184014
0.8824 High Similarity NPC269800
0.8824 High Similarity NPC44193
0.8824 High Similarity NPC246519
0.8824 High Similarity NPC14234
0.8824 High Similarity NPC132669
0.8462 Intermediate Similarity NPC13011
0.8462 Intermediate Similarity NPC124382
0.8367 Intermediate Similarity NPC91044
0.8333 Intermediate Similarity NPC245650
0.8214 Intermediate Similarity NPC6795
0.8036 Intermediate Similarity NPC312826
0.7627 Intermediate Similarity NPC471023
0.7627 Intermediate Similarity NPC77891
0.7551 Intermediate Similarity NPC470439
0.7551 Intermediate Similarity NPC86121
0.7541 Intermediate Similarity NPC187315
0.75 Intermediate Similarity NPC4881
0.75 Intermediate Similarity NPC235311
0.75 Intermediate Similarity NPC253468
0.7458 Intermediate Similarity NPC324077
0.7414 Intermediate Similarity NPC150505
0.7414 Intermediate Similarity NPC74617
0.7377 Intermediate Similarity NPC477525
0.7258 Intermediate Similarity NPC129995
0.7258 Intermediate Similarity NPC315141
0.7167 Intermediate Similarity NPC273614
0.7 Intermediate Similarity NPC309877
0.7 Intermediate Similarity NPC130807
0.6923 Remote Similarity NPC299114
0.6923 Remote Similarity NPC471022
0.6667 Remote Similarity NPC210999
0.6618 Remote Similarity NPC314678
0.6613 Remote Similarity NPC29468
0.6508 Remote Similarity NPC182758
0.6441 Remote Similarity NPC242930
0.6415 Remote Similarity NPC138935
0.6346 Remote Similarity NPC206906
0.6269 Remote Similarity NPC249713
0.6129 Remote Similarity NPC325734
0.6129 Remote Similarity NPC321030
0.6078 Remote Similarity NPC255042
0.6078 Remote Similarity NPC182840
0.6078 Remote Similarity NPC15934
0.6078 Remote Similarity NPC103213
0.6078 Remote Similarity NPC29091
0.6053 Remote Similarity NPC14326
0.6032 Remote Similarity NPC325550
0.6032 Remote Similarity NPC329003
0.6032 Remote Similarity NPC326524
0.5962 Remote Similarity NPC145077
0.5962 Remote Similarity NPC56917
0.5942 Remote Similarity NPC291196
0.5942 Remote Similarity NPC103712
0.5942 Remote Similarity NPC45060
0.5942 Remote Similarity NPC280065
0.5932 Remote Similarity NPC208638
0.5918 Remote Similarity NPC58957
0.5893 Remote Similarity NPC180575
0.5867 Remote Similarity NPC314854
0.5867 Remote Similarity NPC313911
0.5849 Remote Similarity NPC269823
0.5763 Remote Similarity NPC261571
0.5758 Remote Similarity NPC316674
0.5758 Remote Similarity NPC477106
0.5753 Remote Similarity NPC476923
0.5741 Remote Similarity NPC68889
0.5741 Remote Similarity NPC213538
0.5741 Remote Similarity NPC256766
0.5741 Remote Similarity NPC67761
0.5741 Remote Similarity NPC88079
0.5741 Remote Similarity NPC209279
0.5741 Remote Similarity NPC194586
0.5741 Remote Similarity NPC51758
0.5741 Remote Similarity NPC108494
0.5741 Remote Similarity NPC304151
0.5741 Remote Similarity NPC180871
0.5714 Remote Similarity NPC250734
0.5676 Remote Similarity NPC263266
0.5667 Remote Similarity NPC49494
0.5667 Remote Similarity NPC188341
0.5636 Remote Similarity NPC116934
0.5625 Remote Similarity NPC3210
0.5616 Remote Similarity NPC288086
0.5614 Remote Similarity NPC282097

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC307435 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
0.6604 Remote Similarity NPD860 Phase 2
0.5965 Remote Similarity NPD4220 Pre-registration
0.5738 Remote Similarity NPD9652 Approved
0.5625 Remote Similarity NPD9368 Phase 2

Structure

External Identifiers

PubChem CID   14427412
ChEMBL   CHEMBL2011544
ZINC  

Physicochemical Properties

Molecular Weight:  221.18
ALogP:  2.5261
MLogP:  2.78
XLogP:  4.476
# Rotatable Bonds:  11
Polar Surface Area:  32.59
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  16

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs