Natural Product: NPC254713

Natural Product ID:  NPC254713
Common Name:   Tetradecanal
IUPAC Name:   tetradecanal
Synonyms:  
Molecular Formula:   C14H28O
Standard InCHIKey:  UHUFTBALEZWWIH-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3
Canonical SMILES:  CCCCCCCCCCCCCC=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
NPO8455 Magnolia officinalis rehd et wils Species Magnoliaceae Eukaryota TCMSP*
NPO18195 Maydis seigma NA NA NA TCMSP*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO29629 Viticis negundo folium Species Curculionidae Eukaryota TCMSP*
NPO29685 Eucommiae folium NA NA NA TCMSP*
NPO4750 Meliae azedarach fructus NA NA NA TCMSP*
NPO29694 Mori cortex NA NA NA TCMSP*
NPO25682 Acorus calamus Species Acoraceae Eukaryota TM-MC*
NPO8255 Cinnamomum aromaticum Species Lauraceae Eukaryota TM-MC*
NPO7317 Citrus aurantium Species Rutaceae Eukaryota TM-MC*
NPO15730 Citrus medica Species Rutaceae Eukaryota TM-MC*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TM-MC*
NPO10082 Citrus unshiu Species Rutaceae Eukaryota TM-MC*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TM-MC*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota TM-MC*
NPO420 Eucheuma muricatum Species Solieriaceae Eukaryota TCMID*
NPO2549 Ramulus cinnamomi preparata Species Phasmatidae Eukaryota TCMID*
NPO3608 Eleutherococcus giraldii Species Araliaceae Eukaryota TCMID*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TCM_Taiwan*
NPO10021 Nerium oleander Species Apocynaceae Eukaryota TCMID*
NPO15730 Citrus medica Species Rutaceae Eukaryota TCM_Taiwan*
NPO8255 Cinnamomum aromaticum Species Lauraceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[21970810]
NPO13989 Uncaria macrophylla Species Rubiaceae Eukaryota TCMID*
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota PMID[25340465]
NPO30553 Ramulus cinnamomi Species Phasmatidae Eukaryota HerDing*
NPO30675 Vibrio harveyi Species Vibrionaceae Bacteria PMID[311472]
NPO30745 Chrysanthemum morifolium Species Asteraceae Eukaryota HerDing*
NPO31458 Cinnamomum cassia Species Lauraceae Eukaryota HerDing*
NPO1771 Rose rugosae flos NA NA NA TCMSP*
NPO29545 Capsici fructus NA NA NA TCMSP*
NPO12208 Allii fistulost bulbus NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 2689 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2396.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1696.7 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 NPC254713 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 NPC179831
1.0 High Similarity NPC262505
1.0 High Similarity NPC261991
1.0 High Similarity NPC49151
0.9355 High Similarity NPC49615
0.8966 High Similarity NPC32279
0.8788 High Similarity NPC301919
0.8529 High Similarity NPC69245
0.8276 Intermediate Similarity NPC59581
0.8065 Intermediate Similarity NPC4962
0.8065 Intermediate Similarity NPC221192
0.8065 Intermediate Similarity NPC222997
0.8065 Intermediate Similarity NPC42403
0.8065 Intermediate Similarity NPC29561
0.8065 Intermediate Similarity NPC153439
0.8065 Intermediate Similarity NPC196434
0.8065 Intermediate Similarity NPC79887
0.7941 Intermediate Similarity NPC218357
0.7812 Intermediate Similarity NPC168982
0.7742 Intermediate Similarity NPC38859
0.7742 Intermediate Similarity NPC295442
0.7742 Intermediate Similarity NPC198118
0.7586 Intermediate Similarity NPC164646
0.7576 Intermediate Similarity NPC76608
0.7576 Intermediate Similarity NPC16578
0.7576 Intermediate Similarity NPC268596
0.7576 Intermediate Similarity NPC225318
0.7576 Intermediate Similarity NPC149101
0.7368 Intermediate Similarity NPC48930
0.697 Remote Similarity NPC158107
0.6923 Remote Similarity NPC149299
0.6923 Remote Similarity NPC250028
0.6923 Remote Similarity NPC40597
0.6923 Remote Similarity NPC256163
0.6905 Remote Similarity NPC239754
0.6897 Remote Similarity NPC37479
0.6842 Remote Similarity NPC305660
0.6842 Remote Similarity NPC201622
0.6842 Remote Similarity NPC22903
0.6842 Remote Similarity NPC54980
0.6774 Remote Similarity NPC66624
0.675 Remote Similarity NPC53541
0.6744 Remote Similarity NPC44363
0.6744 Remote Similarity NPC110234
0.6744 Remote Similarity NPC163751
0.6667 Remote Similarity NPC80234
0.6667 Remote Similarity NPC219536
0.6667 Remote Similarity NPC223249
0.6667 Remote Similarity NPC31551
0.6667 Remote Similarity NPC287782
0.6591 Remote Similarity NPC13105
0.6585 Remote Similarity NPC236579
0.6585 Remote Similarity NPC203531
0.6562 Remote Similarity NPC79591
0.65 Remote Similarity NPC28598
0.65 Remote Similarity NPC165533
0.65 Remote Similarity NPC161097
0.6486 Remote Similarity NPC156630
0.6429 Remote Similarity NPC76051
0.641 Remote Similarity NPC223315
0.6316 Remote Similarity NPC80396
0.6316 Remote Similarity NPC154642
0.6279 Remote Similarity NPC47363
0.6279 Remote Similarity NPC287231
0.6279 Remote Similarity NPC469781
0.625 Remote Similarity NPC301696
0.625 Remote Similarity NPC14227
0.625 Remote Similarity NPC141634
0.625 Remote Similarity NPC289974
0.625 Remote Similarity NPC301585
0.625 Remote Similarity NPC201844
0.625 Remote Similarity NPC113928
0.625 Remote Similarity NPC304927
0.625 Remote Similarity NPC261080
0.625 Remote Similarity NPC154186
0.625 Remote Similarity NPC279026
0.617 Remote Similarity NPC234829
0.6136 Remote Similarity NPC63182
0.6136 Remote Similarity NPC12438
0.6136 Remote Similarity NPC145045
0.6136 Remote Similarity NPC30195
0.6136 Remote Similarity NPC52700
0.6136 Remote Similarity NPC105329
0.6129 Remote Similarity NPC133819
0.6098 Remote Similarity NPC135077
0.6098 Remote Similarity NPC59570
0.6098 Remote Similarity NPC12156
0.6098 Remote Similarity NPC215118
0.6098 Remote Similarity NPC45270
0.6042 Remote Similarity NPC22182
0.6 Remote Similarity NPC328497
0.6 Remote Similarity NPC324004
0.6 Remote Similarity NPC326957
0.5952 Remote Similarity NPC307783
0.5952 Remote Similarity NPC171736
0.5952 Remote Similarity NPC209970
0.5952 Remote Similarity NPC141914
0.5952 Remote Similarity NPC216630
0.5952 Remote Similarity NPC196924
0.5952 Remote Similarity NPC149184
0.5946 Remote Similarity NPC286695
0.5938 Remote Similarity NPC30338
0.5909 Remote Similarity NPC273545
0.5897 Remote Similarity NPC80641
0.587 Remote Similarity NPC200618
0.587 Remote Similarity NPC131770
0.587 Remote Similarity NPC106872
0.5862 Remote Similarity NPC1502
0.5854 Remote Similarity NPC81263
0.5854 Remote Similarity NPC214610
0.5854 Remote Similarity NPC183424
0.5854 Remote Similarity NPC118968
0.5854 Remote Similarity NPC294085
0.5833 Remote Similarity NPC321646
0.5814 Remote Similarity NPC67462
0.5814 Remote Similarity NPC18397
0.5806 Remote Similarity NPC32603
0.58 Remote Similarity NPC250539
0.5789 Remote Similarity NPC57499
0.5789 Remote Similarity NPC154396
0.5758 Remote Similarity NPC129976
0.5745 Remote Similarity NPC26253
0.5745 Remote Similarity NPC304162
0.5714 Remote Similarity NPC223195
0.5682 Remote Similarity NPC255837
0.5682 Remote Similarity NPC317128
0.5682 Remote Similarity NPC74845
0.5682 Remote Similarity NPC19305
0.5676 Remote Similarity NPC12904
0.5652 Remote Similarity NPC195246
0.5652 Remote Similarity NPC276009
0.5652 Remote Similarity NPC22098
0.5641 Remote Similarity NPC196442
0.5641 Remote Similarity NPC301398
0.5641 Remote Similarity NPC86545
0.5641 Remote Similarity NPC223374
0.5625 Remote Similarity NPC33928
0.5625 Remote Similarity NPC90904
0.5625 Remote Similarity NPC305182
0.5625 Remote Similarity NPC55678
0.561 Remote Similarity NPC268826

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC254713 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
0.641 Remote Similarity NPD3206 Approved
0.6279 Remote Similarity NPD2699 Approved
0.625 Remote Similarity NPD633 Phase 3
0.625 Remote Similarity NPD9448 Phase 2
0.5952 Remote Similarity NPD2270 Approved
0.5854 Remote Similarity NPD9655 Approved
0.5814 Remote Similarity NPD387 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   31291
ChEMBL   CHEMBL2228569
ZINC  

Physicochemical Properties

Molecular Weight:  212.21
ALogP:  -3.2743
MLogP:  2.89
XLogP:  6.846
# Rotatable Bonds:  13
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  15

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs