Natural Product: NPC201844

Natural Product ID:  NPC201844
Common Name:   Dodecanoate
IUPAC Name:   dodecanoic acid
Synonyms:   Dodecanoic Acid; Dodecanoic Acid Anion; Lauric Acid
Molecular Formula:   C12H24O2
Standard InCHIKey:  POULHZVOKOAJMA-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
Canonical SMILES:  CCCCCCCCCCCC(=O)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
NPO11144 Centella asiatica Species Apiaceae Eukaryota TCMID*
NPO17999 Sonneratia alba Species Lythraceae Eukaryota UNPD*
NPO11760 Teucrium orientale Species Lamiaceae Eukaryota UNPD*
NPO11408 Podocarpus amarus Species Podocarpaceae Eukaryota UNPD*
NPO10000 Rehmanniae radix praeparata NA NA NA TCMSP*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO6117 Poria Species Coccinellidae Eukaryota TCMID*
NPO23473 Cinnamomum kotoense Species Lauraceae Eukaryota stem wood PMID[16180806]
NPO17218 Helichrysum nudifolium Species Asteraceae Eukaryota UNPD*
NPO1318 Lepidium bonariense Species Brassicaceae Eukaryota UNPD*
NPO19092 Morindae officinalis radix NA NA NA TCMSP*
NPO29621 Portulacae herba NA NA NA TCMSP*
NPO16329 Potebniamyces gallicola Species Phacidiaceae Eukaryota UNPD*
NPO17602 Arbutus menziesii Species Ericaceae Eukaryota UNPD*
NPO15919 Streptomyces caelestis Species Streptomycetaceae Bacteria UNPD*
NPO17304 Sipunculus nudus Species Sipunculidae Eukaryota UNPD*
NPO29717 Glechomae herba NA NA NA TCMSP*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO17339 Macaranga sinensis Species Euphorbiaceae Eukaryota UNPD*
NPO17071 Coeloseira pacifica Species Champiaceae Eukaryota UNPD*
NPO10770 Ptilota pectinata Species Ceramiaceae Eukaryota UNPD*
NPO16215 Umbilicaria cinereorufescens Species Umbilicariaceae Eukaryota UNPD*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO18840 Platycladi cacumen NA NA NA TCMSP*
NPO4507 Bruguiera gymnorhiza Species Rhizophoraceae Eukaryota UNPD*
NPO14002 Petalostemon purpureum Species Fabaceae Eukaryota UNPD*
NPO16566 Cinnamosma madagascariensis Species Canellaceae Eukaryota UNPD*
NPO29588 Ganoderma Genus Ganodermataceae Eukaryota TCMSP*
NPO11762 Agrimonia eupatoria Species Rosaceae Eukaryota TCMSP*
NPO29580 Tamaricis cacumen NA NA NA TCMSP*
NPO11144 Centella asiatica Species Apiaceae Eukaryota PMID[25518943]
NPO2155 Tephroseris integrifolia Species Asteraceae Eukaryota UNPD*
NPO8010 Otostegia fruticosa Species Lamiaceae Eukaryota UNPD*
NPO29690 Leonuri herba NA NA NA TCMSP*
NPO6323 Croci stigma NA NA NA TCMSP*
NPO11578.2 Aloe vera l. var. chinensis (haw.) berger Varieties Asphodelaceae Eukaryota TCM_Taiwan*
NPO9189 Streptomyces atratus Species Streptomycetaceae Bacteria UNPD*
NPO16812 Ajuga bracteosa Species Lamiaceae Eukaryota UNPD*
NPO29593 Prunellae spica NA NA NA TCMSP*
NPO14160 Elaeis guineensis Species Arecaceae Eukaryota TCM_Taiwan*
NPO16456 Mirabilis jalapa Species Nyctaginaceae Eukaryota UNPD*
NPO14575 Periploca forrestii Species Cosmopterigidae Eukaryota UNPD*
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota TM-MC*
NPO20357 Millettiae speciosae radix NA NA NA TCMSP*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TCM_Taiwan*
NPO4336 Echiochilon pauciflorum Species Boraginaceae Eukaryota UNPD*
NPO17145 Aegiceras corniculatum Species Primulaceae Eukaryota UNPD*
NPO23628 Imperata cylindrica Species Poaceae Eukaryota TM-MC*
NPO29577 Arecae semen NA NA NA TCMSP*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TCM_Taiwan*
NPO15004 Artemisia taurica Species Asteraceae Eukaryota UNPD*
NPO14813 Agaricus silvaticus Species Agaricaceae Eukaryota UNPD*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TM-MC*
NPO29694 Mori cortex NA NA NA TCMSP*
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota TCM_Taiwan*
NPO26788 Sophora viciifolia Species Fabaceae Eukaryota UNPD*
NPO15748 Hypoxis nyasica Species Hypoxidaceae Eukaryota UNPD*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota TM-MC*
NPO15730 Citrus medica Species Rutaceae Eukaryota TCM_Taiwan*
NPO3808 Elaeagnus angustifolia Species Elaeagnaceae Eukaryota UNPD*
NPO18635 Ulva rigid Species Ulvaceae Eukaryota UNPD*
NPO7905 Lepista irina Species Tricholomataceae Eukaryota UNPD*
NPO14715 Trollius chinensis Species Ranunculaceae Eukaryota TCMSP*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota TM-MC*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO5119 Pseudomonas chlororaphis Species Pseudomonadaceae Bacteria UNPD*
NPO2550 Trichoderma citrinum Species Hypocreaceae Eukaryota UNPD*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TCMSP*
NPO29654 Lonicerae japonicae flos NA NA NA TCMSP*
NPO24644 Hansenia forbesii Species Apiaceae Eukaryota TM-MC*
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[21190195]
NPO10639 Olibanun NA NA NA TCMSP*
NPO6805 Cortex hibisci NA NA NA TCMSP*
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota TM-MC*
NPO2997 Aloe africana Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[8412012]
NPO4843 Gossampiniflos NA NA NA TCMSP*
NPO29607 Citri sarcodactylis fructus NA NA NA TCMSP*
NPO2953 Ostericum grosseserratum Species Apiaceae Eukaryota TM-MC*
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[8412012]
NPO20949 Paederiae scandentis herba NA NA NA TCMSP*
NPO23577 Wolfiporia cocos Species Coriolaceae Eukaryota TCMSP*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[22411374]
NPO29641 Rhododendri daurici folium NA NA NA TCMSP*
NPO29643 Mume fructus NA NA NA TCMSP*
NPO20930 Patrinia scabiosifolia Species Caprifoliaceae Eukaryota TM-MC*
NPO2837 Aloe spicata Species Asphodelaceae Eukaryota TM-MC*
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota TCM_Taiwan*
NPO7565 Allium azureum ledeb Species Amaryllidaceae Eukaryota TCMSP*
NPO29589 Linderae radix NA NA NA TCMSP*
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota TM-MC*
NPO26378 Bistorta manshuriensis Species Polygonaceae Eukaryota TM-MC*
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota TCM_Taiwan*
NPO27197 Platycladi semen NA NA NA TCMSP*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TCMSP*
NPO23518 Polygonatum odoratum Species Asparagaceae Eukaryota TM-MC*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO23628 Imperata cylindrica Species Poaceae Eukaryota TCM_Taiwan*
NPO2978 Croton tiglium Species Euphorbiaceae Eukaryota TCM_Taiwan*
NPO15545 Veltheimia viridifolia Species Hyacinthaceae Eukaryota UNPD*
NPO29677 Scutellariae barbatae herba NA NA NA TCMSP*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO23213 Bistorta officinalis Species Polygonaceae Eukaryota TM-MC*
NPO15373 Actaea dahurica Species Ranunculaceae Eukaryota TM-MC*
NPO30645 Poria cocos Species Coriolaceae Eukaryota TCM_Taiwan*
NPO18073 Justicia trinervia Species Acanthaceae Eukaryota UNPD*
NPO13519 Crotonis fructus NA NA NA TCMSP*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TCMSP*
NPO8101 Rehmannia glutinosa Species Orobanchaceae Eukaryota TM-MC*
NPO15890 Actaea cimicifuga Species Ranunculaceae Eukaryota TM-MC*
NPO31286 Dolichos lablab Species Fabaceae Eukaryota TCM_Taiwan*
NPO17375 Ceramium botryocarpum Species Ceramiaceae Eukaryota UNPD*
NPO29663 Junci medulla NA NA NA TCMSP*
NPO29547 Broussonetiae fructus NA NA NA TCMSP*
NPO9602 Rosa multiflora Species Rosaceae Eukaryota TM-MC*
NPO389 Actaea heracleifolia Species Ranunculaceae Eukaryota TM-MC*
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]
NPO25550 Buchenavia tetraphylla Species Combretaceae Eukaryota UNPD*
NPO489 Codonopsis radix Species Campanulaceae Eukaryota TCMSP*
NPO4054 Lysimachiae foenigraeci herba NA NA NA TCMSP*
NPO2943 Sraitia grosvenorii NA NA NA TM-MC*
NPO2727 Actaea simplex Species Ranunculaceae Eukaryota TM-MC*
NPO4702 Trichosanthes rosthornii Species Cucurbitaceae Eukaryota TCM_Taiwan*
NPO16052 Chromodoris obsoleta Species Chromodorididae Eukaryota UNPD*
NPO13077 Amygdalus communis vas NA NA NA TCMSP*
NPO29582 Aloe Genus Asphodelaceae Eukaryota TCMSP*
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota TM-MC*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TM-MC*
NPO6108 Cocos nucifera Species Arecaceae Eukaryota TCM_Taiwan*
NPO16923 Cereus chrysacanthus Species Sagartiidae Eukaryota UNPD*
NPO29575 Ardisiae japonicae herba NA NA NA TCMSP*
NPO29614 Polygonati odorati rhizoma NA NA NA TCMSP*
NPO4702 Trichosanthes rosthornii Species Cucurbitaceae Eukaryota TM-MC*
NPO10082 Citrus unshiu Species Rutaceae Eukaryota TM-MC*
NPO8101 Rehmannia glutinosa Species Orobanchaceae Eukaryota TCM_Taiwan*
NPO17921 Allium monspessulanum Species Amaryllidaceae Eukaryota UNPD*
NPO16497 Trichosanthes kirilowii maxim Species Cucurbitaceae Eukaryota TCMSP*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota TM-MC*
NPO27451 Ophiocordyceps sinensis Species Ophiocordycipitaceae Eukaryota TM-MC*
NPO28319 Ulva prolifera Species Ulvaceae Eukaryota UNPD*
NPO13013 Saccharothrix mutabilis Species Pseudonocardiaceae Bacteria UNPD*
NPO12446 Folium ilicis cornutae NA NA NA TCMSP*
NPO9499 Epimrdii herba NA NA NA TCMSP*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO9445 Crocus sativus Species Iridaceae Eukaryota TM-MC*
NPO84 Isoberlinia angolensis Species Fabaceae Eukaryota UNPD*
NPO19188 Phaseolus lunatus Species Fabaceae Eukaryota UNPD*
NPO28821 Stichopus horrens Species Stichopodidae Eukaryota UNPD*
NPO29679 Lycii fructus NA NA NA TCMSP*
NPO29560 Carthami flos NA NA NA TCMSP*
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota TM-MC*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota TM-MC*
NPO22097 Plakinastrella clathrata Species Plakinidae Eukaryota UNPD*
NPO16695 Fumaria kraliki Species Papaveraceae Eukaryota UNPD*
NPO9951 Hyella caespitosa Species Hyellaceae Bacteria UNPD*
NPO29598 Mahoniae caulis NA NA NA TCMSP*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO4152 Oleum linderae NA NA NA TCMID*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO12808 Berberis sieboldii Species Berberidaceae Eukaryota UNPD*
NPO13789 Paranephelius uniflorus Species Asteraceae Eukaryota UNPD*
NPO16455 Xylopia aethiopica Species Annonaceae Eukaryota UNPD*
NPO7840 Herbahypericiperforati NA NA NA TCMSP*
NPO29668 Oroxyli semen NA NA NA TCMSP*
NPO17844 Agaricus integer Species Agaricaceae Eukaryota UNPD*
NPO15599 Daldinia concentrica Species Xylariaceae Eukaryota UNPD*
NPO21437 Rhododendron aureum Species Ericaceae Eukaryota UNPD*
NPO28868 Pardachirus pavoninus Species Soleidae Eukaryota UNPD*
NPO21137 Combretum indicum Species Combretaceae Eukaryota TCMSP*
NPO7727 Momordicae fructus NA NA NA TCMSP*
NPO10494 Alpinia katsumadai Species Staphylinidae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis IC50 = 1995262.31 nM 6887198
NPT79 Organism Bacillus subtilis Bacillus subtilis IC50 = 1980000 nM 6802973
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC > 800 ug/ml 1517735
NPT2539 Organism Corynebacterium ammoniagenes Corynebacterium ammoniagenes MIC > 800 ug/ml 1517735
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 800 ug/ml 1517735
NPT878 Organism Streptococcus mutans Streptococcus mutans MIC > 800 ug/ml 1517735
NPT19 Organism Escherichia coli Escherichia coli MIC > 800 ug/ml 1517735
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 800 ug/ml 1517735
NPT720 Organism Enterobacter aerogenes Enterobacter aerogenes MIC > 800 ug/ml 1517735
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC > 800 ug/ml 1517735
NPT767 Organism Pichia jadinii Cyberlindnera jadinii MIC > 800 ug/ml 1517735
NPT523 Organism Malassezia furfur Malassezia furfur MIC > 800 ug/ml 1517735
NPT2242 Organism Penicillium chrysogenum Penicillium chrysogenum MIC > 800 ug/ml 1517735
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MIC = 50 ug/ml 1517735
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 62500 nM 16180806
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 400 ug/ml 18778047
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MIC = 50 ug/ml 8158169
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 12.6 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 31622.8 nM PubChem BioAssay data set
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 250 ug/ml 21493076
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 250 ug/ml 21493076
NPT546 Individual Protein Retinoid X receptor alpha Homo sapiens Potency 3162.3 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 5.6 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 7079.5 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 63095.7 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 30131.3 nM PubChem BioAssay data set
NPT694 Individual Protein UDP-glucuronosyltransferase 1-3 Homo sapiens Activity = 114 pm/min/mg 10836148
NPT699 Individual Protein UDP-glucuronosyltransferase 1-10 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT695 Individual Protein UDP-glucuronosyltransferase 1-8 Homo sapiens Activity = 12 pm/min/mg 10836148
NPT113 Cell Line RAW264.7 Mus musculus LD50 > 0.01 nM 21903399
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 3981.1 nM PubChem BioAssay data set
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT102 Individual Protein Interleukin-8 Homo sapiens Potency 74978 nM PubChem BioAssay data set
NPT103 Individual Protein Nuclear receptor ROR-gamma Homo sapiens Potency 66824.2 nM PubChem BioAssay data set
NPT103 Individual Protein Nuclear receptor ROR-gamma Homo sapiens Potency 29849.3 nM PubChem BioAssay data set
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 20.77 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 24.17 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 27.1 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 17.47 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 20.37 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 20.1 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 7.57 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 12.7 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 4.73 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 1.6 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 3.67 % 23121218
NPT450 Organism Meloidogyne incognita Meloidogyne incognita Activity = 0.5 % 23121218
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens IC50 = 30000 nM 10.1007/s00044-012-0285-6
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens IC50 = 30000 nM 10.1007/s00044-012-0285-6
NPT866 Individual Protein Peroxisome proliferator-activated receptor alpha Homo sapiens IC50 = 30000 nM 10.1007/s00044-012-0285-6
NPT161 Individual Protein Rap guanine nucleotide exchange factor 4 Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 24607.3 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 21734.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24544.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 34376.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27539.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61810.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6309.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68729.1 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 54947.7 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 55088.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61254.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5494.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43646.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30978.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 49098 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24336.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27361.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48656.5 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 27609.9 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 19496.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 38900 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 55088.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48972.2 nM PubChem BioAssay data set
NPT869 Individual Protein Free fatty acid receptor 1 Homo sapiens EC50 = 7943.28 nM 27074625
NPT869 Individual Protein Free fatty acid receptor 1 Homo sapiens EC50 = 758.58 nM 27074625

  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 NPC201844 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 NPC113928
1.0 High Similarity NPC154186
1.0 High Similarity NPC301585
1.0 High Similarity NPC301696
1.0 High Similarity NPC14227
1.0 High Similarity NPC261080
1.0 High Similarity NPC279026
0.9474 High Similarity NPC171736
0.9474 High Similarity NPC216630
0.9474 High Similarity NPC307783
0.9474 High Similarity NPC209970
0.9474 High Similarity NPC149184
0.9474 High Similarity NPC196924
0.9459 High Similarity NPC183424
0.9459 High Similarity NPC294085
0.9459 High Similarity NPC118968
0.9459 High Similarity NPC214610
0.9231 High Similarity NPC67462
0.9189 High Similarity NPC268826
0.9167 High Similarity NPC155263
0.9 High Similarity NPC19305
0.9 High Similarity NPC74845
0.9 High Similarity NPC255837
0.8889 High Similarity NPC156630
0.878 High Similarity NPC8219
0.878 High Similarity NPC55023
0.8684 High Similarity NPC22903
0.8684 High Similarity NPC305660
0.8684 High Similarity NPC54980
0.8684 High Similarity NPC201622
0.8649 High Similarity NPC134782
0.8571 High Similarity NPC314679
0.8571 High Similarity NPC30195
0.8571 High Similarity NPC12438
0.85 High Similarity NPC163746
0.85 High Similarity NPC103286
0.8462 Intermediate Similarity NPC31551
0.8462 Intermediate Similarity NPC219536
0.8372 Intermediate Similarity NPC324004
0.8372 Intermediate Similarity NPC328497
0.8372 Intermediate Similarity NPC21844
0.8333 Intermediate Similarity NPC175342
0.8293 Intermediate Similarity NPC301528
0.8293 Intermediate Similarity NPC129972
0.8293 Intermediate Similarity NPC71317
0.825 Intermediate Similarity NPC12156
0.825 Intermediate Similarity NPC250028
0.825 Intermediate Similarity NPC161097
0.825 Intermediate Similarity NPC28598
0.825 Intermediate Similarity NPC149299
0.825 Intermediate Similarity NPC256163
0.825 Intermediate Similarity NPC40597
0.8205 Intermediate Similarity NPC73245
0.8182 Intermediate Similarity NPC131770
0.8182 Intermediate Similarity NPC324793
0.8182 Intermediate Similarity NPC200618
0.8182 Intermediate Similarity NPC477878
0.8182 Intermediate Similarity NPC106872
0.8049 Intermediate Similarity NPC248763
0.8049 Intermediate Similarity NPC325452
0.8049 Intermediate Similarity NPC53541
0.8 Intermediate Similarity NPC223249
0.8 Intermediate Similarity NPC304162
0.8 Intermediate Similarity NPC80234
0.7857 Intermediate Similarity NPC203531
0.7857 Intermediate Similarity NPC236579
0.7857 Intermediate Similarity NPC289686
0.7838 Intermediate Similarity NPC328710
0.7838 Intermediate Similarity NPC18224
0.7826 Intermediate Similarity NPC90904
0.7805 Intermediate Similarity NPC165533
0.7778 Intermediate Similarity NPC180534
0.7727 Intermediate Similarity NPC166287
0.7674 Intermediate Similarity NPC76051
0.7674 Intermediate Similarity NPC317128
0.766 Intermediate Similarity NPC470412
0.766 Intermediate Similarity NPC470410
0.7609 Intermediate Similarity NPC26253
0.7561 Intermediate Similarity NPC3531
0.75 Intermediate Similarity NPC109026
0.75 Intermediate Similarity NPC252843
0.75 Intermediate Similarity NPC287231
0.75 Intermediate Similarity NPC47363
0.75 Intermediate Similarity NPC174368
0.75 Intermediate Similarity NPC158179
0.75 Intermediate Similarity NPC469781
0.75 Intermediate Similarity NPC281245
0.7447 Intermediate Similarity NPC50457
0.7436 Intermediate Similarity NPC317203
0.7347 Intermediate Similarity NPC36061
0.7347 Intermediate Similarity NPC72722
0.7347 Intermediate Similarity NPC1813
0.7347 Intermediate Similarity NPC294548
0.7347 Intermediate Similarity NPC139029
0.7333 Intermediate Similarity NPC63182
0.7333 Intermediate Similarity NPC52700
0.7333 Intermediate Similarity NPC105329
0.7333 Intermediate Similarity NPC145045
0.7317 Intermediate Similarity NPC326532
0.7292 Intermediate Similarity NPC100096
0.725 Intermediate Similarity NPC80641
0.725 Intermediate Similarity NPC154642
0.725 Intermediate Similarity NPC80396
0.72 Intermediate Similarity NPC281972
0.72 Intermediate Similarity NPC290563
0.72 Intermediate Similarity NPC85813
0.72 Intermediate Similarity NPC424
0.72 Intermediate Similarity NPC25417
0.72 Intermediate Similarity NPC6095
0.72 Intermediate Similarity NPC23155
0.72 Intermediate Similarity NPC320588
0.72 Intermediate Similarity NPC32467
0.72 Intermediate Similarity NPC154245
0.72 Intermediate Similarity NPC88966
0.72 Intermediate Similarity NPC87564
0.72 Intermediate Similarity NPC469937
0.72 Intermediate Similarity NPC53463
0.72 Intermediate Similarity NPC87394
0.72 Intermediate Similarity NPC261831
0.7179 Intermediate Similarity NPC57499
0.7174 Intermediate Similarity NPC326957
0.7143 Intermediate Similarity NPC18357
0.7111 Intermediate Similarity NPC273545
0.7021 Intermediate Similarity NPC216130
0.7 Intermediate Similarity NPC301398
0.7 Intermediate Similarity NPC70387
0.7 Intermediate Similarity NPC196442
0.7 Intermediate Similarity NPC223374
0.7 Intermediate Similarity NPC321062
0.7 Intermediate Similarity NPC86545
0.6923 Remote Similarity NPC187777
0.6923 Remote Similarity NPC18951
0.6923 Remote Similarity NPC179764
0.6923 Remote Similarity NPC477201
0.6875 Remote Similarity NPC476469
0.6842 Remote Similarity NPC168982
0.68 Remote Similarity NPC92114
0.6792 Remote Similarity NPC225929
0.675 Remote Similarity NPC127142
0.675 Remote Similarity NPC286498
0.675 Remote Similarity NPC7814
0.675 Remote Similarity NPC154396
0.6744 Remote Similarity NPC81263
0.6735 Remote Similarity NPC55678
0.6735 Remote Similarity NPC305182
0.6735 Remote Similarity NPC224227
0.6731 Remote Similarity NPC274290
0.6731 Remote Similarity NPC473863
0.6731 Remote Similarity NPC54766
0.6667 Remote Similarity NPC176500
0.6667 Remote Similarity NPC149209
0.6667 Remote Similarity NPC128996
0.66 Remote Similarity NPC262968
0.66 Remote Similarity NPC314084
0.66 Remote Similarity NPC287811
0.6579 Remote Similarity NPC153439
0.6579 Remote Similarity NPC221192
0.6579 Remote Similarity NPC196434
0.6579 Remote Similarity NPC79887
0.6579 Remote Similarity NPC29561
0.6579 Remote Similarity NPC4962
0.6579 Remote Similarity NPC222997
0.6579 Remote Similarity NPC42403
0.6545 Remote Similarity NPC475821
0.6545 Remote Similarity NPC470363
0.6545 Remote Similarity NPC274927
0.6545 Remote Similarity NPC17935
0.6545 Remote Similarity NPC469924
0.6545 Remote Similarity NPC106851
0.6531 Remote Similarity NPC149821
0.6531 Remote Similarity NPC250919
0.6531 Remote Similarity NPC5413
0.65 Remote Similarity NPC125575
0.65 Remote Similarity NPC322892
0.65 Remote Similarity NPC286695
0.6471 Remote Similarity NPC161366
0.6471 Remote Similarity NPC310746
0.6458 Remote Similarity NPC249754
0.6429 Remote Similarity NPC243532
0.6429 Remote Similarity NPC251042
0.6429 Remote Similarity NPC235242
0.6429 Remote Similarity NPC469921
0.6429 Remote Similarity NPC174447
0.6429 Remote Similarity NPC122521
0.641 Remote Similarity NPC236797
0.641 Remote Similarity NPC147096
0.641 Remote Similarity NPC24506
0.641 Remote Similarity NPC185041
0.641 Remote Similarity NPC225783
0.641 Remote Similarity NPC112242
0.641 Remote Similarity NPC163556
0.64 Remote Similarity NPC59051
0.6364 Remote Similarity NPC34416
0.6346 Remote Similarity NPC309606
0.6346 Remote Similarity NPC139545
0.6346 Remote Similarity NPC39633
0.6327 Remote Similarity NPC207292
0.6316 Remote Similarity NPC40082
0.6316 Remote Similarity NPC201939
0.6316 Remote Similarity NPC198118

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC201844 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
1.0 High Similarity NPD633 Phase 3
1.0 High Similarity NPD9448 Phase 2
0.9474 High Similarity NPD2270 Approved
0.9459 High Similarity NPD9655 Approved
0.878 High Similarity NPD3199 Clinical (unspecified phase)
0.8684 High Similarity NPD3206 Approved
0.8571 High Similarity NPD634 Phase 3
0.7857 Intermediate Similarity NPD387 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD622 Approved
0.7727 Intermediate Similarity NPD9431 Approved
0.7727 Intermediate Similarity NPD9430 Approved
0.7561 Intermediate Similarity NPD77 Approved
0.7561 Intermediate Similarity NPD9450 Approved
0.75 Intermediate Similarity NPD3186 Phase 1
0.75 Intermediate Similarity NPD2699 Approved
0.7347 Intermediate Similarity NPD3172 Approved
0.7317 Intermediate Similarity NPD9513 Phase 1
0.72 Intermediate Similarity NPD3728 Approved
0.72 Intermediate Similarity NPD3196 Approved
0.72 Intermediate Similarity NPD4266 Approved
0.72 Intermediate Similarity NPD3729 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD3195 Phase 2
0.72 Intermediate Similarity NPD615 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD3194 Approved
0.72 Intermediate Similarity NPD3730 Approved
0.7073 Intermediate Similarity NPD9449 Clinical (unspecified phase)
0.6939 Remote Similarity NPD9638 Phase 2
0.675 Remote Similarity NPD8857 Approved
0.6667 Remote Similarity NPD2266 Phase 2
0.6667 Remote Similarity NPD6125 Clinical (unspecified phase)
0.66 Remote Similarity NPD29 Approved
0.66 Remote Similarity NPD28 Approved
0.6591 Remote Similarity NPD9635 Discontinued
0.6585 Remote Similarity NPD9447 Approved
0.6545 Remote Similarity NPD3198 Approved
0.6531 Remote Similarity NPD3173 Approved
0.6316 Remote Similarity NPD9676 Phase 3
0.617 Remote Similarity NPD9019 Approved
0.614 Remote Similarity NPD9656 Approved
0.6102 Remote Similarity NPD3197 Phase 1
0.6102 Remote Similarity NPD7909 Approved
0.6098 Remote Similarity NPD5383 Approved
0.6098 Remote Similarity NPD2272 Approved
0.5918 Remote Similarity NPD4222 Approved
0.5918 Remote Similarity NPD3174 Discontinued
0.5902 Remote Similarity NPD4224 Phase 2
0.5893 Remote Similarity NPD9438 Approved
0.5893 Remote Similarity NPD9439 Approved
0.5882 Remote Similarity NPD9016 Clinical (unspecified phase)
0.5818 Remote Similarity NPD9454 Approved
0.575 Remote Similarity NPD62 Approved
0.5714 Remote Similarity NPD73 Approved
0.5645 Remote Similarity NPD375 Phase 2
0.561 Remote Similarity NPD8618 Approved
0.561 Remote Similarity NPD8590 Approved
0.56 Remote Similarity NPD39 Approved

Structure

External Identifiers

PubChem CID   3893
ChEMBL   CHEMBL108766
ZINC  

Physicochemical Properties

Molecular Weight:  200.18
ALogP:  -2.7457
MLogP:  2.56
XLogP:  5.294
# Rotatable Bonds:  12
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  14

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs