Natural Product: NPC59581

Natural Product ID:  NPC59581
Common Name:   Hexanal
IUPAC Name:   hexanal
Synonyms:   Hexanal
Molecular Formula:   C6H12O
Standard InCHIKey:  JARKCYVAAOWBJS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
Canonical SMILES:  CCCCCC=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
NPO9445 Crocus sativus Species Iridaceae Eukaryota TM-MC*
NPO25923 Vismia jefensis Species Hypericaceae Eukaryota UNPD*
NPO26561 Micromeria pineolens Species Lamiaceae Eukaryota UNPD*
NPO11376 Schistostephium rotundifolium Species Asteraceae Eukaryota UNPD*
NPO13427 Erinaceus europaeus Species Erinaceidae Eukaryota UNPD*
NPO26507 Galenia africana Species Aizoaceae Eukaryota UNPD*
NPO12536 Flemingia prostrata roxb Species Fabaceae Eukaryota TCMSP*
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO23213 Bistorta officinalis Species Polygonaceae Eukaryota TM-MC*
NPO26287 Spodoptera eridania Species Noctuidae Eukaryota UNPD*
NPO4083 Brevibacillus laterosporus Species Paenibacillaceae Bacteria UNPD*
NPO26406 Saussurea carthamoides Species Asteraceae Eukaryota UNPD*
NPO26654 Penicillium citreonigrum Species Aspergillaceae Eukaryota UNPD*
NPO29597 Perillae fructus NA NA NA TCMSP*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO21349 Punica granatum Species Lythraceae Eukaryota TM-MC*
NPO26624 Ilex amara Species Aquifoliaceae Eukaryota UNPD*
NPO22056.1 Streptomyces fervens Subspecies Streptomycetaceae Bacteria UNPD*
NPO12457 Siphocampylus verticillatus Species Campanulaceae Eukaryota UNPD*
NPO7077 Canarium strictum Species Burseraceae Eukaryota UNPD*
NPO9158 Mahoniae folum NA NA NA TCMSP*
NPO14604 Dipteronia dyeriana Species Aceraceae Eukaryota UNPD*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TM-MC*
NPO15178 Psychotria bahiensis Species Rubiaceae Eukaryota UNPD*
NPO27 Gentiana dahurica Species Gentianaceae Eukaryota UNPD*
NPO26319 Solanum acaule Species Solanaceae Eukaryota UNPD*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TCMSP*
NPO3041 Rhizome of whiteback greenbrier NA NA NA TCMSP*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota TM-MC*
NPO16039 Scutellaria barbata Species Lamiaceae Eukaryota TM-MC*
NPO12547 Viburnum chingii Species Adoxaceae Eukaryota UNPD*
NPO25739 Erysimum odoratum Species Brassicaceae Eukaryota UNPD*
NPO25949 Streptomyces griseovariabilis Species Streptomycetaceae Bacteria UNPD*
NPO11638 Cinnanmomi cortex NA NA NA TCMSP*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO29548 Polygoni orientalis fructus NA NA NA TCMSP*
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota TM-MC*
NPO19694 Senecio scandens Species Asteraceae Eukaryota TM-MC*
NPO13740 Aconitum kamtschaticum Species Ranunculaceae Eukaryota UNPD*
NPO7447 Nemalion vermiculare Species Liagoraceae Eukaryota UNPD*
NPO6978 Boronella koniambiensis Species Rutaceae Eukaryota UNPD*
NPO26257 Celastri orbiculati fructus NA NA NA TCMSP*
NPO29631 Dichroae radix NA NA NA TCMSP*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota TM-MC*
NPO784 Sinapis alba Species Brassicaceae Eukaryota TM-MC*
NPO26052 Swertia delavayi Species Gentianaceae Eukaryota UNPD*
NPO13273 Maytenus loeseneri Species Celastraceae Eukaryota UNPD*
NPO7718 Peucedanum palustre Species Apiaceae Eukaryota UNPD*
NPO23877 Leonuri fructus NA NA NA TCMSP*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO2943 Sraitia grosvenorii NA NA NA TM-MC*
NPO15679 Amyris marshii Species Rutaceae Eukaryota UNPD*
NPO5786 Desmodium oxyphyllum Species Fabaceae Eukaryota UNPD*
NPO26184 Diphasia angolensis Species Rutaceae Eukaryota UNPD*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO4054 Lysimachiae foenigraeci herba NA NA NA TCMSP*
NPO17755 Inula helenium Species Asteraceae Eukaryota TM-MC*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TM-MC*
NPO26256 Zanthoxylum chiriquinum Species Rutaceae Eukaryota UNPD*
NPO26607 Colobocentrotus atratus Species Echinidae Eukaryota UNPD*
NPO14442 Gouania microcarpa Species Gobiesocidae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO29614 Polygonati odorati rhizoma NA NA NA TCMSP*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TM-MC*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TM-MC*
NPO16625 Phalaenopsis aphrodite Species Orchidaceae Eukaryota UNPD*
NPO15570 Plectranthus mollis Species Lamiaceae Eukaryota UNPD*
NPO25792 Delphinium andersoni Species Ranunculaceae Eukaryota UNPD*
NPO11421 Arnebia euchroma Species Boraginaceae Eukaryota TM-MC*
NPO24731 Sesami nigrum semen NA NA NA TCMSP*
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota TM-MC*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TM-MC*
NPO12951 Talaromyces coalescens Species Trichocomaceae Eukaryota UNPD*
NPO7792 Coreopsis grandiflora Species Asteraceae Eukaryota UNPD*
NPO26806 Nidula candida Species Nidulariaceae Eukaryota UNPD*
NPO20297 Arnebia guttata Species Boraginaceae Eukaryota TM-MC*
NPO29541 Allii tuberosi semen NA NA NA TCMSP*
NPO14650 Lobelia chinensis Species Campanulaceae Eukaryota TM-MC*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO22505 Bombax ceiba Species Malvaceae Eukaryota UNPD*
NPO15884 Dodonaea polyandra Species Sapindaceae Eukaryota UNPD*
NPO26349 Frullania tamarisci Species Frullaniaceae Eukaryota UNPD*
NPO16307 Murraya kwangsiensis Species Rutaceae Eukaryota UNPD*
NPO26003 Adenophprae ae radix NA NA NA TCMSP*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TM-MC*
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota TCMID*
NPO16311 Rusavskia elegans Species Teloschistaceae Eukaryota UNPD*
NPO6513 Vernonia condensata Species Asteraceae Eukaryota UNPD*
NPO11962 Garcinia macrophylla Species Clusiaceae Eukaryota UNPD*
NPO25769 Heterotheca inuloides Species Asteraceae Eukaryota UNPD*
NPO29639 Aucklandiae radix NA NA NA TCMSP*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO23429 Lycium barbarum Species Solanaceae Eukaryota TM-MC*
NPO14992 Prunus persica Species Rosaceae Eukaryota TCMID*
NPO5482 Gymnanthemum amygdalinum Species Asteraceae Eukaryota UNPD*
NPO26134 Epimedium davidii Species Berberidaceae Eukaryota UNPD*
NPO20949 Paederiae scandentis herba NA NA NA TCMSP*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO22874 Bombyx mori Species Bombycidae Eukaryota TCMSP*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TM-MC*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota TCMID*
NPO5750 Monomorium floricola Species Formicidae Eukaryota UNPD*
NPO25896 Bragantia wallichii NA NA NA UNPD*
NPO23080 Benincasae exocarpium NA NA NA TCMSP*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TM-MC*
NPO29685 Eucommiae folium NA NA NA TCMSP*
NPO11791 Magnolia obovata Species Magnoliaceae Eukaryota TM-MC*
NPO14111 Maytenus serrata Species Celastraceae Eukaryota UNPD*
NPO22053 Vepris pilosa Species Rutaceae Eukaryota UNPD*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TCM_Taiwan*
NPO29677 Scutellariae barbatae herba NA NA NA TCMSP*
NPO20902 Atractylodes macrocephala Species Asteraceae Eukaryota TM-MC*
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO4368 Magnolia officinalis Species Magnoliaceae Eukaryota TM-MC*
NPO11644 Prosopis ruscifolia Species Fabaceae Eukaryota UNPD*
NPO25972 Eupolyphaga sinensis Species Corydiidae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TCM_Taiwan*
NPO13077 Amygdalus communis vas NA NA NA TCMSP*
NPO25825 Saussurea costus Species Asteraceae Eukaryota TM-MC*
NPO29580 Tamaricis cacumen NA NA NA TCMSP*
NPO23256 Mentha arvensis Species Lamiaceae Eukaryota TM-MC*
NPO9386 Ectropis bicolor Species Geometridae Eukaryota UNPD*
NPO8671 Physalis solanaceus Species Solanaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[19167006]
NPO23624 Thalluslaminariae NA NA NA TCMSP*
NPO26378 Bistorta manshuriensis Species Polygonaceae Eukaryota TM-MC*
NPO25292 Achyranthis bidentatae radix NA NA NA TCMSP*
NPO13857 Mentha canadensis Species Lamiaceae Eukaryota TM-MC*
NPO26211 Knightia excelsa Species Proteaceae Eukaryota UNPD*
NPO13952 Streptomyces lavendulae Species Streptomycetaceae Bacteria UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[7320160]
NPO29545 Capsici fructus NA NA NA TCMSP*
NPO29007 Brassica juncea Species Brassicaceae Eukaryota TM-MC*
NPO4750 Meliae azedarach fructus NA NA NA TCMSP*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO651 Aconitum vilmorinianum Species Ranunculaceae Eukaryota UNPD*
NPO16109 Actinidia kolomikta Species Actinidiaceae Eukaryota UNPD*
NPO26374 Alangium premnifolium Species Cornaceae Eukaryota UNPD*
NPO15312 Coelogorgia palmosa Species Coelogorgiidae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO29628 Rubi fructus NA NA NA TCMSP*
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TM-MC*
NPO29559 Cinnamomi ramulus NA NA NA TCMSP*
NPO15479 Oldenlandia diffusa Species Rubiaceae Eukaryota TM-MC*
NPO26699 Leonurus glaucescens Species Lamiaceae Eukaryota UNPD*
NPO15434 Rhodomicrobium vannielii Species Hyphomicrobiaceae Bacteria UNPD*
NPO3729 Cetraria islandica Species Parmeliaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[22626821]
NPO29702 Zingiberis rhizoma NA NA NA TCMSP*
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota TM-MC*
NPO29558 Anemarrhenae rhizoma NA NA NA TCMSP*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO4633 Calypogeia integristipula Species Calypogeiaceae Eukaryota UNPD*
NPO26927 Salacia madagascariensis Species Celastraceae Eukaryota UNPD*
NPO26161 Globba malaccensis Species Zingiberaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[22284503]
NPO24288 Radix cynanchi Species Lymnaeidae Eukaryota TCMSP*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TM-MC*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TM-MC*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TM-MC*
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota UNPD*
NPO10452 Odontites rubra Species Orobanchaceae Eukaryota UNPD*
NPO25995 Laurencia distichophylla Species Rhodomelaceae Eukaryota UNPD*
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota HerDing*
NPO24940 Allii sativi bulbus NA NA NA TCMSP*
NPO16501 Capsicum annuum Species Solanaceae Eukaryota TM-MC*
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota TM-MC*
NPO20712 Panax quinquefolius Species Araliaceae Eukaryota TM-MC*
NPO2898 Quercus sessiliflora Species Fagaceae Eukaryota UNPD*
NPO5510 Lepidium draba Species Brassicaceae Eukaryota UNPD*
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TCM_Taiwan*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota TM-MC*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TM-MC*
NPO10899 Ophioparma ventosa Species Ophioparmaceae Eukaryota UNPD*
NPO26451 Ophiocoma scolopendrina Species Ophiocomidae Eukaryota UNPD*
NPO30125 Notopterygium forbesii NA NA NA TCM_Taiwan*
NPO375 Coicis semen NA NA NA TCMSP*
NPO15373 Actaea dahurica Species Ranunculaceae Eukaryota TM-MC*
NPO2997 Aloe africana Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO14747 Usnea florida Species Parmeliaceae Eukaryota UNPD*
NPO2607 Ophiorrhiza blumeana Species Rubiaceae Eukaryota UNPD*
NPO31073 Ligusticum chuanxiong Species Apiaceae Eukaryota TCM_Taiwan*
NPO9454 Piperis fructus NA NA NA TCMSP*
NPO15890 Actaea cimicifuga Species Ranunculaceae Eukaryota TM-MC*
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO2777 Cirsium brevistylum Species Asteraceae Eukaryota UNPD*
NPO25870 Vaccinium vitis-idaea Species Ericaceae Eukaryota UNPD*
NPO31579 Artemisia capillaries Species Asteraceae Eukaryota TCM_Taiwan*
NPO18129 Notopterygii rhizoma et radix NA NA NA TCMSP*
NPO389 Actaea heracleifolia Species Ranunculaceae Eukaryota TM-MC*
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota TM-MC*
NPO1723 Sideritis syriaca Species Lamiaceae Eukaryota UNPD*
NPO26023 Angelica tarokoensis Species Apiaceae Eukaryota UNPD*
NPO3697 Ongokea klaineana Species Aptandraceae Eukaryota UNPD*
NPO4795.2 Prunus armeniaca l. var. ansu maxim. Varieties Rosaceae Eukaryota TCM_Taiwan*
NPO29654 Lonicerae japonicae flos NA NA NA TCMSP*
NPO2727 Actaea simplex Species Ranunculaceae Eukaryota TM-MC*
NPO2837 Aloe spicata Species Asphodelaceae Eukaryota TM-MC*
NPO14914 Esox saurus Species Esocidae Eukaryota UNPD*
NPO26584 Gnidia lamprantha Species Thymelaeaceae Eukaryota UNPD*
NPO26950 Maba buxifolia Species Ebenaceae Eukaryota UNPD*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TCM_Taiwan*
NPO25951 Chuanxiong rhizoma NA NA NA TCMSP*
NPO9546 Cinamomum cassia NA NA NA TM-MC*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO13582 Leucopaxillus giganteus Species Tricholomataceae Eukaryota UNPD*
NPO26834 Eutypella scoparia Species Diatrypaceae Eukaryota UNPD*
NPO15159 Podocarpus salignus Species Podocarpaceae Eukaryota UNPD*
NPO26266 Isodon japonicus Species Lamiaceae Eukaryota UNPD*
NPO29710 Saposhnikoviae radix NA NA NA TCMSP*
NPO8255 Cinnamomum aromaticum Species Lauraceae Eukaryota TM-MC*
NPO12470 Brachyspira hyodysenteriae Species Brachyspiraceae Bacteria UNPD*
NPO26900 Vallota purpurea NA NA NA UNPD*
NPO25424 Putterlickia verrucosa Species Celastraceae Eukaryota UNPD*
NPO16541 Veratrum stenophyllum Species Melanthiaceae Eukaryota UNPD*
NPO29555 Evodiae fructus NA NA NA TCMSP*
NPO22033 Cnidium officinale Species Apiaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1528 Individual Protein Phenylethanolamine N-methyltransferase Bos taurus IC50 = 314000 nM 7205880
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC > 800 ug/ml 10.1021/np50124a013
NPT2539 Organism Corynebacterium ammoniagenes Corynebacterium ammoniagenes MIC > 800 ug/ml 10.1021/np50124a013
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 800 ug/ml 10.1021/np50124a013
NPT878 Organism Streptococcus mutans Streptococcus mutans MIC > 800 ug/ml 10.1021/np50124a013
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MIC = 800 ug/ml 10.1021/np50124a013
NPT19 Organism Escherichia coli Escherichia coli MIC > 800 ug/ml 10.1021/np50124a013
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 800 ug/ml 10.1021/np50124a013
NPT720 Organism Enterobacter aerogenes Enterobacter aerogenes MIC > 800 ug/ml 10.1021/np50124a013
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC > 800 ug/ml 10.1021/np50124a013
NPT767 Organism Pichia jadinii Cyberlindnera jadinii MIC > 800 ug/ml 10.1021/np50124a013
NPT766 Organism Proteus vulgaris Proteus vulgaris MIC > 800 ug/ml 10.1021/np50124a013
NPT2605 Organism Malassezia Malassezia MIC = 800 ug/ml 10.1021/np50124a013
NPT2242 Organism Penicillium chrysogenum Penicillium chrysogenum MIC > 800 ug/ml 10.1021/np50124a013
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes MIC > 800 ug/ml 10.1021/np50124a013
NPT2241 Organism Glomerella acutata Glomerella acutata ID50 = 151.35 uL/L 17567029
NPT2241 Organism Glomerella acutata Glomerella acutata ID95 = 256.49 uL/L 17567029
NPT348 Organism Myzus persicae Myzus persicae Ratio = 3.9 10995371
NPT348 Organism Myzus persicae Myzus persicae LD50 < 5 ug/ml 10995371
NPT348 Organism Myzus persicae Myzus persicae LD50 = 19.4 ug/ml 10995371
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 25 % 11312775
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 35 % 11312775
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 10 % 11312775
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 5 % 11312775
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 75 % 11312775
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 80 % 11312775
NPT849 Organism Plutella xylostella Plutella xylostella Activity = 30 % 11312775
NPT563 Organism Escherichia coli O157:H7 Escherichia coli O157:H7 GI = 41.5 % 14969531
NPT16 Organism Staphylococcus aureus Staphylococcus aureus GI = 11.3 % 14969531
NPT564 Organism Listeria monocytogenes Listeria monocytogenes GI = 14.4 % 14969531
NPT565 Organism Vibrio parahaemolyticus Vibrio parahaemolyticus GI = 57.8 % 14969531
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium GI = 39.1 % 14969531
NPT314 Organism Bacillus cereus Bacillus cereus GI = 19.3 % 14969531
NPT2 Others Unspecified Potency 17376 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 63095.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12301.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 76958.8 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 NPC59581 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
0.9231 High Similarity NPC32279
0.9167 High Similarity NPC164646
0.8333 Intermediate Similarity NPC37479
0.8276 Intermediate Similarity NPC49151
0.8276 Intermediate Similarity NPC261991
0.8276 Intermediate Similarity NPC254713
0.8276 Intermediate Similarity NPC262505
0.8276 Intermediate Similarity NPC179831
0.7857 Intermediate Similarity NPC287782
0.7742 Intermediate Similarity NPC49615
0.75 Intermediate Similarity NPC218357
0.7407 Intermediate Similarity NPC289974
0.7407 Intermediate Similarity NPC66624
0.7407 Intermediate Similarity NPC304927
0.7308 Intermediate Similarity NPC133819
0.7273 Intermediate Similarity NPC301919
0.7143 Intermediate Similarity NPC79591
0.7083 Intermediate Similarity NPC1502
0.7059 Intermediate Similarity NPC69245
0.7037 Intermediate Similarity NPC30338
0.6923 Remote Similarity NPC32603
0.6786 Remote Similarity NPC129976
0.6667 Remote Similarity NPC33928
0.6667 Remote Similarity NPC295442
0.6538 Remote Similarity NPC141986
0.6452 Remote Similarity NPC42403
0.6452 Remote Similarity NPC4962
0.6452 Remote Similarity NPC221192
0.6452 Remote Similarity NPC222997
0.6452 Remote Similarity NPC79887
0.6452 Remote Similarity NPC196434
0.6452 Remote Similarity NPC153439
0.6452 Remote Similarity NPC29561
0.6333 Remote Similarity NPC100997
0.6296 Remote Similarity NPC222945
0.6286 Remote Similarity NPC80396
0.6286 Remote Similarity NPC154642
0.625 Remote Similarity NPC146289
0.625 Remote Similarity NPC168982
0.6176 Remote Similarity NPC57499
0.6154 Remote Similarity NPC237869
0.6154 Remote Similarity NPC147212
0.6129 Remote Similarity NPC38859
0.6129 Remote Similarity NPC198118
0.6071 Remote Similarity NPC254524
0.6071 Remote Similarity NPC185768
0.6061 Remote Similarity NPC16578
0.6061 Remote Similarity NPC268596
0.6061 Remote Similarity NPC225318
0.6061 Remote Similarity NPC76608
0.6061 Remote Similarity NPC149101
0.6053 Remote Similarity NPC48930
0.6 Remote Similarity NPC317203
0.6 Remote Similarity NPC289344
0.5938 Remote Similarity NPC162547
0.5938 Remote Similarity NPC158107
0.5882 Remote Similarity NPC286695
0.5882 Remote Similarity NPC175342
0.5806 Remote Similarity NPC143211
0.5789 Remote Similarity NPC80234
0.5789 Remote Similarity NPC81263
0.5789 Remote Similarity NPC94368
0.5769 Remote Similarity NPC211453
0.5714 Remote Similarity NPC248190
0.5714 Remote Similarity NPC154396
0.5714 Remote Similarity NPC239754
0.5667 Remote Similarity NPC227197
0.5667 Remote Similarity NPC32280
0.5667 Remote Similarity NPC307594
0.5667 Remote Similarity NPC41485
0.5667 Remote Similarity NPC28246
0.5641 Remote Similarity NPC256163
0.5641 Remote Similarity NPC149299
0.5641 Remote Similarity NPC40597
0.5641 Remote Similarity NPC250028
0.5625 Remote Similarity NPC159398

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC59581 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
NPD

Structure

External Identifiers

PubChem CID   6184
ChEMBL   CHEMBL280331
ZINC  

Physicochemical Properties

Molecular Weight:  100.09
ALogP:  -0.9703
MLogP:  2.01
XLogP:  2.294
# Rotatable Bonds:  5
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  7

Download Data

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