Natural Product: NPC261991

Natural Product ID:  NPC261991
Common Name:   Undecanal
IUPAC Name:   undecanal
Synonyms:  
Molecular Formula:   C11H22O
Standard InCHIKey:  KMPQYAYAQWNLME-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
Canonical SMILES:  CCCCCCCCCCC=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
NPO24556 Bassia butyracea Species Abylidae Eukaryota UNPD*
NPO25291 Lactarius scrobiculatus Species Russulaceae Eukaryota UNPD*
NPO2203 Flos genkwa Species Lycaenidae Eukaryota TCMSP*
NPO24511 Dipterocarpus alatus Species Dipterocarpaceae Eukaryota UNPD*
NPO24218 Fusarium gibbosum Species Nectriaceae Eukaryota UNPD*
NPO27288 Citrus maxima Species Rutaceae Eukaryota TM-MC*
NPO24383 Ficus formosana Species Moraceae Eukaryota UNPD*
NPO26128 Clonostachys rosea Species Bionectriaceae Eukaryota UNPD*
NPO15730 Citrus medica Species Rutaceae Eukaryota TM-MC*
NPO23691 Pyrosoma giganteum Species Pyrosomatidae Eukaryota UNPD*
NPO25671 Gardenia fosbergii Species Rubiaceae Eukaryota UNPD*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TM-MC*
NPO24068 Prunus laurocerasus Species Rosaceae Eukaryota UNPD*
NPO10082 Citrus unshiu Species Rutaceae Eukaryota TM-MC*
NPO24744 Chloranthus tianmushanensis Species Chloranthaceae Eukaryota UNPD*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota UNPD*
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO28665 Sesbania punicea Species Fabaceae Eukaryota UNPD*
NPO24830 Prosopis glandulosa Species Fabaceae Eukaryota UNPD*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO24599 Streptomyces althioticus Species Streptomycetaceae Bacteria UNPD*
NPO24675 Quercus aegilops Species Fagaceae Eukaryota UNPD*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota TM-MC*
NPO25144 Artemisia monogyna Species Asteraceae Eukaryota UNPD*
NPO24929 Aria pallescens Species Rosaceae Eukaryota UNPD*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TM-MC*
NPO23567 Coccus fagi Species Coccidae Eukaryota UNPD*
NPO22736 Drosera peltata Species Droseraceae Eukaryota UNPD*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO7445 Pteris prolifera Species Pteridaceae Eukaryota UNPD*
NPO23805 Arnica nevadensis Species Asteraceae Eukaryota UNPD*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO25045 Senecio squalidus Species Asteraceae Eukaryota UNPD*
NPO20823 Stenostomum lucidum Species Rubiaceae Eukaryota UNPD*
NPO25359 Isodon kameba Species Lamiaceae Eukaryota UNPD*
NPO22194 Kaempferia pulchra Species Zingiberaceae Eukaryota UNPD*
NPO25390 Pterocarpus grandiflorus Species Fabaceae Eukaryota UNPD*
NPO26042 Agnorhiza bolanderi Species Asteraceae Eukaryota UNPD*
NPO24987 Simira eliezeriana Species Rubiaceae Eukaryota UNPD*
NPO25234 Epaltes gariepina Species Asteraceae Eukaryota UNPD*
NPO24475 Aceriphyllum rossii NA NA NA UNPD*
NPO23963 Odixia angusta Species Asteraceae Eukaryota UNPD*
NPO1794 Ilex affinis Species Aquifoliaceae Eukaryota UNPD*
NPO25415 Pseudopterogorgia kallos Species Gorgoniidae Eukaryota UNPD*
NPO25699 Vitex madiensis Species Lamiaceae Eukaryota UNPD*
NPO20833 Beyeria brevifolia Species Euphorbiaceae Eukaryota UNPD*
NPO18352 Anaxagorea clavata Species Annonaceae Eukaryota UNPD*
NPO25471 Chromolaena pulchella Species Asteraceae Eukaryota UNPD*
NPO25529 Bursaria spinosa Species Pittosporaceae Eukaryota UNPD*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TCM_Taiwan*
NPO15730 Citrus medica Species Rutaceae Eukaryota TCM_Taiwan*
NPO17024 Vitis vinifera Species Vitaceae Eukaryota PMID[25518943]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO6714 Securidaca inappendiculata Species Polygalaceae Eukaryota UNPD*
NPO25326 Dendrosenecio kilimanjari Species Asteraceae Eukaryota UNPD*
NPO25258 Seriphidium cinum Species Asteraceae Eukaryota UNPD*
NPO25187 Cladonia evansii Species Cladoniaceae Eukaryota UNPD*
NPO24291 Rhizobium phaseoli Species Rhizobiaceae Bacteria UNPD*
NPO25090 Araujia sericifera Species Apocynaceae Eukaryota UNPD*
NPO7552 Alligator mississippiensis Species Alligatoridae Eukaryota UNPD*
NPO15117 Chromolaena odorata Species Asteraceae Eukaryota UNPD*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO23453 Pheidole pallidula Species Formicidae Eukaryota UNPD*
NPO29588 Ganoderma Genus Ganodermataceae Eukaryota TCMSP*
NPO25623 Taxodium mucronatum Species Cupressaceae Eukaryota UNPD*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TCMSP*
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota UNPD*
NPO4054 Lysimachiae foenigraeci herba NA NA NA TCMSP*
NPO24640 Echinops amplexicaulis Species Asteraceae Eukaryota UNPD*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 56099.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 44158.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62921.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24832.3 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 NPC261991 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 NPC49151
1.0 High Similarity NPC254713
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 NPC261991 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   8186
ChEMBL   CHEMBL1236576
ZINC  

Physicochemical Properties

Molecular Weight:  170.17
ALogP:  -2.4103
MLogP:  2.56
XLogP:  5.139
# Rotatable Bonds:  10
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  12

Download Data

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Structure MOL file  
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Biological Activities  
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