Natural Product: NPC96294

Natural Product ID:  NPC96294
Common Name:   Scopolin
IUPAC Name:   6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Synonyms:   Scopolin
Molecular Formula:   C16H18O9
Standard InCHIKey:  SGTCGCCQZOUMJJ-YMILTQATSA-N
Standard InCHI:  InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2cc3oc(=O)ccc3cc2OC)[C@@H]([C@H]([C@@H]1O)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
NPO14637 Saussurea cordifolia Species Asteraceae Eukaryota UNPD*
NPO14297 Dioscorea gracillima Species Dioscoreaceae Eukaryota UNPD*
NPO22560 Strychnos parvifolia Species Loganiaceae Eukaryota UNPD*
NPO16888 Sophora davidii Species Fabaceae Eukaryota UNPD*
NPO19139 Senecio polyodon Species Asteraceae Eukaryota UNPD*
NPO13325 Plantago lanceolata Species Plantaginaceae Eukaryota UNPD*
NPO24758 Angelica dahurica Species Apiaceae Eukaryota TM-MC*
NPO16210 Androcymbium palaestinum Species Colchicaceae Eukaryota UNPD*
NPO7043 Fuligo candida Species Physaraceae Eukaryota UNPD*
NPO23353 [polyangium] brachysporum Species NA Bacteria UNPD*
NPO6377 Cocculus diversifolius Species Menispermaceae Eukaryota UNPD*
NPO6626 Pteris spinulosa Species Pteridaceae Eukaryota UNPD*
NPO28835 Gentianella nitida Species Gentianaceae Eukaryota UNPD*
NPO13692 Leontice kiangnanensis Species Berberidaceae Eukaryota UNPD*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO8103 Lecanora melanophthalma Species Lecanoraceae Eukaryota UNPD*
NPO9786 Monomeria barbata Species Orchidaceae Eukaryota UNPD*
NPO11684 Iberis sempervirens Species Brassicaceae Eukaryota UNPD*
NPO17757 Plectranthus saccatus Species Lamiaceae Eukaryota UNPD*
NPO11758 Parmelia pokornyi Species Parmeliaceae Eukaryota UNPD*
NPO7766 Pericopsis schliebenii Species Fabaceae Eukaryota UNPD*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO14559 Acer saccharum Species Sapindaceae Eukaryota bark PMID[22032697]
NPO619 Ankistrodesmus braunii Species Selenastraceae Eukaryota UNPD*
NPO6776 Trifolium apertum Species Fabaceae Eukaryota UNPD*
NPO9228.1 Narcissus pseudonarcissus subsp. leonensis Subspecies Amaryllidaceae Eukaryota UNPD*
NPO11064 Haemanthus toxicarius Species Amaryllidaceae Eukaryota UNPD*
NPO17600 Gnathotrichus sulcatus Species Curculionidae Eukaryota UNPD*
NPO24105 Artemisia iwayomogi Species Asteraceae Eukaryota TM-MC*
NPO8220 Russula sardonia Species Russulaceae Eukaryota UNPD*
NPO9771 Aka coralliphagum Species Niphatidae Eukaryota UNPD*
NPO21924 Althaea officinalis Species Malvaceae Eukaryota UNPD*
NPO15583 Tripodanthus acutifolius Species Loranthaceae Eukaryota UNPD*
NPO20592 Rhodoglossum japonicum Species Gigartinaceae Eukaryota UNPD*
NPO1033 Plectranthus nummularius Species Lamiaceae Eukaryota UNPD*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO10729 Lechevalieria aerocolonigenes Species Pseudonocardiaceae Bacteria UNPD*
NPO26266 Isodon japonicus Species Lamiaceae Eukaryota UNPD*
NPO6370 Roemeria carica Species Papaveraceae Eukaryota UNPD*
NPO2084 Acinetobacter calcoaceticus Species Moraxellaceae Bacteria UNPD*
NPO23025 Roccellaria mollis Species Roccellaceae Eukaryota UNPD*
NPO11280 Aphanoascus terreus Species Onygenaceae Eukaryota UNPD*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO13119 Hymenoxys microcephala Species Asteraceae Eukaryota UNPD*
NPO7087 Oxera splendida Species Lamiaceae Eukaryota UNPD*
NPO3664 Mesembryanthemum anatomicum Species Aizoaceae Eukaryota UNPD*
NPO22888 Lophiostoma vaginatispora Species Lophiostomataceae Eukaryota UNPD*
NPO5197 Streptomyces eurythermus Species Streptomycetaceae Bacteria UNPD*
NPO6717 Viburnum awabuki Species Adoxaceae Eukaryota UNPD*
NPO9141 Epimedium wushanense Species Berberidaceae Eukaryota UNPD*
NPO13383 Schumanniophyton magnificum Species Rubiaceae Eukaryota UNPD*
NPO11884 Macaranga tanarius Species Euphorbiaceae Eukaryota UNPD*
NPO7201 Rhodopila globiformis Species Acetobacteraceae Bacteria UNPD*
NPO9375 Medium grandiflorum NA NA NA UNPD*
NPO22475.1 Brachylaena discolor var. rotundata Varieties Asteraceae Eukaryota UNPD*
NPO5344 Calodendrum capense Species Rutaceae Eukaryota UNPD*
NPO1071 Parerythropodium fulvum NA NA NA UNPD*
NPO29271 Erycibe obtusifolia Species Convolvulaceae Eukaryota TM-MC*
NPO20288 Polytolypa hystricis Species Onygenaceae Eukaryota UNPD*
NPO11507 Entada africana Species Fabaceae Eukaryota UNPD*
NPO20383 Stenocereus thurberi Species Cactaceae Eukaryota UNPD*
NPO15164 Jacobaea adonidifolia Species Asteraceae Eukaryota UNPD*
NPO2444 Limnocitrus littoralis NA NA NA UNPD*
NPO21101 Felicia amelloides Species Asteraceae Eukaryota UNPD*
NPO12034 Dictamnus gymnostylis Species Rutaceae Eukaryota UNPD*
NPO12329 Erycibe schmidtii Species Convolvulaceae Eukaryota TM-MC*
NPO149 Heliotropium europaeum Species Heliotropiaceae Eukaryota UNPD*
NPO21951 Paramignya griffithii Species Rutaceae Eukaryota UNPD*
NPO23577 Wolfiporia cocos Species Coriolaceae Eukaryota UNPD*
NPO11153 Entada polystachya Species Fabaceae Eukaryota UNPD*
NPO17117 Diaporthe amygdali Species Diaporthaceae Eukaryota UNPD*
NPO20846 Sophora japonica Species Fabaceae Eukaryota UNPD*
NPO26304 Hymenocallis littoralis Species Amaryllidaceae Eukaryota UNPD*
NPO23429 Lycium barbarum Species Solanaceae Eukaryota TM-MC*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TM-MC*
NPO3453 Elaeocarpus fuscoides Species Elaeocarpaceae Eukaryota UNPD*
NPO23976 Ceanothus intergerrimus Species Rhamnaceae Eukaryota UNPD*
NPO4516 Fasciospongia rimosa Species Thorectidae Eukaryota UNPD*
NPO5319 Ulmus thomasii Species Ulmaceae Eukaryota UNPD*
NPO29245 Nepeta leucophylla Species Lamiaceae Eukaryota UNPD*
NPO16049 Cryptocarya pleurosperma Species Lauraceae Eukaryota UNPD*
NPO8585 Verpa digitaliformis Species Morchellaceae Eukaryota UNPD*
NPO10806 Achillea roseoalba Species Asteraceae Eukaryota UNPD*
NPO21758 Thiocystis gelatinosa Species Chromatiaceae Bacteria UNPD*
NPO9024 Aralidium pinnatifidum Species Torricelliaceae Eukaryota UNPD*
NPO896 Streptomyces kanamyceticus Species Streptomycetaceae Bacteria UNPD*
NPO11117 Xerula melanotricha Species Physalacriaceae Eukaryota UNPD*
NPO4082 Ophiarthrum elegans Species Ophiocomidae Eukaryota UNPD*
NPO14865 Vitex limonifolia Species Lamiaceae Eukaryota UNPD*
NPO186 Chondrosia reniformis Species Chondrillidae Eukaryota UNPD*
NPO20132 Scutellaria seleriana Species Lamiaceae Eukaryota UNPD*
NPO10751 Bothriocline laxa Species Asteraceae Eukaryota UNPD*
NPO1607 Croton rhamnifolius Species Euphorbiaceae Eukaryota UNPD*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota UNPD*
NPO4979 Elysia grandifolia Species Placobranchidae Eukaryota UNPD*
NPO3936 Malva sylvestris Species Malvaceae Eukaryota UNPD*
NPO11755 Banisteriopsis caapi Species Malpighiaceae Eukaryota UNPD*
NPO8269 Isodon nervosus Species Lamiaceae Eukaryota UNPD*
NPO2505 Pachycereus pringlei Species Cactaceae Eukaryota UNPD*
NPO29232 Polysiphonia fastigiata Species Rhodomelaceae Eukaryota UNPD*
NPO12988 Blainvillea latifolia Species Asteraceae Eukaryota UNPD*
NPO11166 Sclerodoris tanya NA NA NA UNPD*
NPO10384 Scopolia carniolica Species Solanaceae Eukaryota TM-MC*
NPO8404 Isodon xerophilus Species Lamiaceae Eukaryota UNPD*
NPO14507.1 Quercus ithaburensis subsp. macrolepis Subspecies Fagaceae Eukaryota UNPD*
NPO12630 Senecio oxyodontus Species Asteraceae Eukaryota UNPD*
NPO8840 Ptilidium ciliare Species Ptilidiaceae Eukaryota UNPD*
NPO20015 Echinocystis lobata Species Cucurbitaceae Eukaryota UNPD*
NPO17141 Lonchocarpus longistylus Species Fabaceae Eukaryota UNPD*
NPO3890 Scopolia japonica Species Solanaceae Eukaryota TM-MC*
NPO9358 Pseuduvaria indochinensis Species Annonaceae Eukaryota UNPD*
NPO11402 Tithonia rotundifolia Species Asteraceae Eukaryota UNPD*
NPO24370 Crassocephalum crepidioides Species Asteraceae Eukaryota UNPD*
NPO2747 Hypericum triquetrifolium Species Hypericaceae Eukaryota UNPD*
NPO8584 Schisandra arisanensis Species Schisandraceae Eukaryota UNPD*
NPO5016 Glossogyne tenuifolia Species Asteraceae Eukaryota UNPD*
NPO9903 Engelhardia spicata Species Juglandaceae Eukaryota UNPD*
NPO28941 Pogonopus speciosus Species Rubiaceae Eukaryota UNPD*
NPO16326 Scopolia parviflora Species Solanaceae Eukaryota TM-MC*
NPO1209 Swartzia madagascariensis Species Fabaceae Eukaryota UNPD*
NPO16711 Baccharis solieri Species Asteraceae Eukaryota UNPD*
NPO351 Cirsium dipsacolepis Species Asteraceae Eukaryota UNPD*
NPO7060 Ficus ruficaulis Species Moraceae Eukaryota UNPD*
NPO3924 Penicillium alutaceum Species Aspergillaceae Eukaryota UNPD*
NPO28697 Talaromyces convolutus Species Trichocomaceae Eukaryota UNPD*
NPO2684 Cortinarius vinosipes Species Cortinariaceae Eukaryota UNPD*
NPO13494 Prosopis kuntzei Species Fabaceae Eukaryota UNPD*
NPO6974 Solanum racemigerum Species Solanaceae Eukaryota UNPD*
NPO18071 Euryops pedunculatus Species Asteraceae Eukaryota UNPD*
NPO3146 Ammodendron conollyi Species Fabaceae Eukaryota UNPD*
NPO8472 Knightia deplanchei Species Proteaceae Eukaryota UNPD*
NPO15478 Senna sophera Species Fabaceae Eukaryota UNPD*
NPO12577 Pinus glauca Species Pinaceae Eukaryota UNPD*
NPO7935 Strychnos angustiflora Species Loganiaceae Eukaryota UNPD*
NPO21530 Arnica viscosa Species Asteraceae Eukaryota UNPD*
NPO10021 Nerium oleander Species Apocynaceae Eukaryota UNPD*
NPO21368 Tricholoma batschii Species Tricholomataceae Eukaryota UNPD*
NPO24187 Cardiopetalum calophyllum NA NA NA UNPD*
NPO8198 Podocarpus montanus Species Podocarpaceae Eukaryota UNPD*
NPO5401 Monanchora unguiculata Species Crambeidae Eukaryota UNPD*
NPO29364 Diplolophium buchananii Species Apiaceae Eukaryota UNPD*
NPO4253 Viguiera annua Species Asteraceae Eukaryota UNPD*
NPO4360 Hendersonula toruloidea NA NA NA UNPD*
NPO8820 Lophocereus marginatus Species Cactaceae Eukaryota UNPD*
NPO6330 Croton caudatus Species Euphorbiaceae Eukaryota UNPD*
NPO22599 Crataegus pontica Species Rosaceae Eukaryota UNPD*
NPO4385 Aconitum zuccarini Species Ranunculaceae Eukaryota UNPD*
NPO28078 Melaleuca decora Species Myrtaceae Eukaryota UNPD*
NPO15057 Isodon gesneroides Species Lamiaceae Eukaryota UNPD*
NPO5144 Berberis japonica Species Berberidaceae Eukaryota UNPD*
NPO12026 Papaver radicatum Species Papaveraceae Eukaryota UNPD*
NPO25481 Lonchocarpus oaxacensis Species Fabaceae Eukaryota UNPD*
NPO22650 Helenium quadridentatum Species Asteraceae Eukaryota UNPD*
NPO305 Vitex pinnata Species Lamiaceae Eukaryota UNPD*
NPO5591 Fucus spiralis Species Fucaceae Eukaryota UNPD*
NPO1308 Veronica pectinata Species Plantaginaceae Eukaryota UNPD*
NPO14001 Ceroplastes pseudoceriferus Species Coccidae Eukaryota UNPD*
NPO3830 Euplotes rariseta Species Euplotidae Eukaryota UNPD*
NPO12994 Choriaster granulatus Species Oreasteridae Eukaryota UNPD*
NPO2476 Lonicera fulvotomentosa Species Caprifoliaceae Eukaryota UNPD*
NPO15594 Aplidiopsis confluata NA NA NA UNPD*
NPO276 Miscanthus sacchariflorus Species Poaceae Eukaryota UNPD*
NPO1727 Clusia nemorosa Species Clusiaceae Eukaryota UNPD*
NPO21582 Manihot esculenta Species Euphorbiaceae Eukaryota UNPD*
NPO7097 Rhynchosporium orthosporum Species NA Eukaryota UNPD*
NPO5508 Stevia purpurea Species Asteraceae Eukaryota UNPD*
NPO11895 Nama johnstonii Species Namaceae Eukaryota UNPD*
NPO12890 Ophryosporus charua Species Asteraceae Eukaryota UNPD*
NPO24390 Juniperus rigida Species Cupressaceae Eukaryota UNPD*
NPO22529 Calceolaria thyrsiflora Species Calceolariaceae Eukaryota UNPD*
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota UNPD*
NPO581 Conyza bonariensis Species Asteraceae Eukaryota UNPD*
NPO1418 Boletinus paluster Species Gyrodontaceae Eukaryota UNPD*
NPO14280 Helichrysum angustifolium Species Asteraceae Eukaryota UNPD*
NPO5980 Eria subsessilis Species Orchidaceae Eukaryota UNPD*
NPO15167 Eichhornia crassipes Species Pontederiaceae Eukaryota UNPD*
NPO24623 Xestospongia muta Species Petrosiidae Eukaryota UNPD*
NPO14310 Tecoma heptaphylla Species Bignoniaceae Eukaryota UNPD*
NPO2637 Agave rigidissima Species Asparagaceae Eukaryota UNPD*
NPO6310 Ruta bracteosa Species Rutaceae Eukaryota UNPD*
NPO22812 Acacia cambagei Species Fabaceae Eukaryota UNPD*
NPO2342 Cytisus scoparius Species Fabaceae Eukaryota UNPD*
NPO2361 Aconitum brevicalcaratum Species Ranunculaceae Eukaryota UNPD*
NPO16326 Scopolia parviflora Species Solanaceae Eukaryota UNPD*
NPO22294 Pteris inaequalis Species Pteridaceae Eukaryota UNPD*
NPO6272 Chamaecyparis pisifera Species Cupressaceae Eukaryota UNPD*
NPO11530 Heterosigma akashiwo Species Chattonellaceae Eukaryota UNPD*
NPO28915 Tephrosia barbigera Species Geometridae Eukaryota UNPD*
NPO13798 Cheilanthes marantae Species Pteridaceae Eukaryota UNPD*
NPO8543 Meconopsis horridula Species Papaveraceae Eukaryota UNPD*
NPO28627.1 Coptis trifolia subsp. groenlandica Subspecies Ranunculaceae Eukaryota UNPD*
NPO29367 Ormosia excelsa Species Fabaceae Eukaryota UNPD*
NPO477 Lepraria xanthina Species Stereocaulaceae Eukaryota UNPD*
NPO16564 Euonymus phellomanus Species Celastraceae Eukaryota UNPD*
NPO9644 Euphorbia resinifera Species Euphorbiaceae Eukaryota UNPD*
NPO23810 Streptomyces alboflavus Species Streptomycetaceae Bacteria UNPD*
NPO1355 Urechis caupo Species Urechidae Eukaryota UNPD*
NPO14222 Schefflera divaricata Species Araliaceae Eukaryota UNPD*
NPO893 Helichrysum sutherlandii Species Asteraceae Eukaryota UNPD*
NPO8401 Pteris setuloso-costulata Species Pteridaceae Eukaryota UNPD*
NPO12330 Pseudophryne coriacea Species Myobatrachidae Eukaryota UNPD*
NPO11072 Geigeria schinzii Species Asteraceae Eukaryota UNPD*
NPO11478 Aniba duckei Species Lauraceae Eukaryota UNPD*
NPO24541 Trivalvaria macrophylla Species Annonaceae Eukaryota UNPD*
NPO15449 Echium rubrum Species Boraginaceae Eukaryota UNPD*
NPO22927 Xanthoparmelia pokornyi Species Parmeliaceae Eukaryota UNPD*
NPO6082 Centaurium pulchellum Species Gentianaceae Eukaryota UNPD*
NPO15740 Garcinia purpurea Species Clusiaceae Eukaryota UNPD*
NPO29000 Nephila clavata Species Nephilidae Eukaryota UNPD*
NPO18684 Calophyllum thwaitesii Species Calophyllaceae Eukaryota UNPD*
NPO17444 Gleichenia japonica Species Gleicheniaceae Eukaryota UNPD*
NPO17917 Thamnophis sirtalis Species Colubridae Eukaryota UNPD*
NPO715 Teucrium pestalozzae Species Lamiaceae Eukaryota UNPD*
NPO23952 Phlomoides medicinalis Species Lamiaceae Eukaryota UNPD*
NPO6520 Myrica multiflora Species Myricaceae Eukaryota UNPD*
NPO24664 Lecanora hybocarpa Species Lecanoraceae Eukaryota UNPD*
NPO2304 Byssovorax cruenta Species Polyangiaceae Bacteria UNPD*
NPO10276 Physochlaina physaloides Species Solanaceae Eukaryota UNPD*
NPO8640 Nemuaron humboldtii Species Atherospermataceae Eukaryota UNPD*
NPO2518 Crinum kirkii Species Amaryllidaceae Eukaryota UNPD*
NPO6014 Goniothalamus undulatus Species Annonaceae Eukaryota UNPD*
NPO28881 Virola sebifera Species Myristicaceae Eukaryota UNPD*
NPO28890 Geranium sanguineum Species Geraniaceae Eukaryota UNPD*
NPO22818 Acritopappus confertus Species Asteraceae Eukaryota UNPD*
NPO8911 Aspergillus aculeatus Species Aspergillaceae Eukaryota UNPD*
NPO3280 Penicillium crustaceum Species Aspergillaceae Eukaryota UNPD*
NPO3576 Bersama swinnyi Species Melianthaceae Eukaryota UNPD*
NPO16693 Byrsonima crassifolia Species Malpighiaceae Eukaryota UNPD*
NPO15610 Citrus trifolia Species Rutaceae Eukaryota UNPD*
NPO20318 Acinetobacter baumannii Species Moraxellaceae Bacteria UNPD*
NPO14049 Fumaria indica Species Papaveraceae Eukaryota UNPD*
NPO15954 Pyrenula japonica Species Pyrenulaceae Eukaryota UNPD*
NPO13604 Dermocybe cardinalis Species Cortinariaceae Eukaryota UNPD*
NPO21220 Pulicaria uliginosa Species Asteraceae Eukaryota UNPD*
NPO29165 Toona febrifuga Species Meliaceae Eukaryota UNPD*
NPO22711 Athanasia dregeana Species Asteraceae Eukaryota UNPD*
NPO29700 Peucedani radix NA NA NA TCMSP*
NPO21822 Berberis crataegina Species Berberidaceae Eukaryota UNPD*
NPO19369 Bacillus thuringiensis Species Bacillaceae Bacteria UNPD*
NPO22871 Aster alpinus Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT204 Individual Protein Acetylcholinesterase Homo sapiens Inhibition = 30.1 % 15566295
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 3.18 15566295
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 300 % 15566295
NPT2 Others Unspecified Inhibition = 75.65 % 8988605
NPT2 Others Unspecified Inhibition = 55 % 8988605
NPT2 Others Unspecified IC50 = 77000 nM 8988605
NPT393 Cell Line HCT-116 Homo sapiens IC50 < 5 ug/ml 22032697
NPT492 Cell Line Caco-2 Homo sapiens IC50 < 5 ug/ml 22032697
NPT2 Others Unspecified IC50 < 5 ug/ml 22032697
NPT955 Individual Protein Carbonic anhydrase VII Homo sapiens Ki = 9110 nM 22892213
NPT948 Individual Protein Carbonic anhydrase IX Homo sapiens Ki = 8720 nM 22892213
NPT3101 Individual Protein Carbonic anhydrase XIII Homo sapiens Ki = 8430 nM 22892213
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 5930 nM 22892213
NPT949 Individual Protein Carbonic anhydrase XII Homo sapiens Ki = 780 nM 22892213
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 148.6 % 23510022
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 126.7 % 23510022
NPT2 Others Unspecified Activity = 0.4 equiv 23510022
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki > 100000 nM 22892213

  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 NPC96294 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
0.9859 High Similarity NPC114740
0.979 High Similarity NPC213197
0.965 High Similarity NPC212670
0.965 High Similarity NPC313334
0.965 High Similarity NPC206264
0.9648 High Similarity NPC52740
0.958 High Similarity NPC93924
0.951 High Similarity NPC41844
0.9459 High Similarity NPC284810
0.9452 High Similarity NPC476352
0.9452 High Similarity NPC215060
0.9375 High Similarity NPC15577
0.9371 High Similarity NPC476450
0.9362 High Similarity NPC300611
0.932 High Similarity NPC470264
0.931 High Similarity NPC478237
0.9257 High Similarity NPC150442
0.9231 High Similarity NPC138212
0.922 High Similarity NPC43500
0.922 High Similarity NPC164148
0.9214 High Similarity NPC103409
0.9189 High Similarity NPC176186
0.9189 High Similarity NPC53587
0.9189 High Similarity NPC169404
0.9184 High Similarity NPC21184
0.9184 High Similarity NPC294522
0.9184 High Similarity NPC205727
0.9184 High Similarity NPC120426
0.9172 High Similarity NPC205361
0.9172 High Similarity NPC199928
0.9155 High Similarity NPC210478
0.9116 High Similarity NPC30688
0.9116 High Similarity NPC106138
0.9116 High Similarity NPC176903
0.9103 High Similarity NPC85624
0.9091 High Similarity NPC215512
0.9091 High Similarity NPC476442
0.9078 High Similarity NPC37468
0.9078 High Similarity NPC104167
0.9071 High Similarity NPC309953
0.9048 High Similarity NPC476348
0.9048 High Similarity NPC187398
0.9034 High Similarity NPC232228
0.9034 High Similarity NPC292443
0.9028 High Similarity NPC145319
0.9014 High Similarity NPC20796
0.9 High Similarity NPC241341
0.9 High Similarity NPC36437
0.9 High Similarity NPC233018
0.898 High Similarity NPC87950
0.898 High Similarity NPC296377
0.898 High Similarity NPC471764
0.898 High Similarity NPC476347
0.8966 High Similarity NPC252169
0.8966 High Similarity NPC478239
0.8951 High Similarity NPC100389
0.8951 High Similarity NPC13067
0.8933 High Similarity NPC163598
0.8933 High Similarity NPC264875
0.8933 High Similarity NPC120774
0.8929 High Similarity NPC137669
0.8929 High Similarity NPC162093
0.8919 High Similarity NPC169510
0.8904 High Similarity NPC297342
0.8897 High Similarity NPC475084
0.8897 High Similarity NPC157816
0.8889 High Similarity NPC202700
0.8881 High Similarity NPC95162
0.8881 High Similarity NPC20511
0.8881 High Similarity NPC139548
0.8881 High Similarity NPC76336
0.8881 High Similarity NPC52086
0.8881 High Similarity NPC148835
0.8873 High Similarity NPC240915
0.8873 High Similarity NPC470236
0.8873 High Similarity NPC55040
0.8873 High Similarity NPC185778
0.8865 High Similarity NPC69513
0.8865 High Similarity NPC215833
0.8865 High Similarity NPC49074
0.8851 High Similarity NPC227902
0.8844 High Similarity NPC226722
0.8828 High Similarity NPC186406
0.8828 High Similarity NPC279851
0.8828 High Similarity NPC472520
0.8811 High Similarity NPC126682
0.8811 High Similarity NPC157554
0.8811 High Similarity NPC82271
0.8811 High Similarity NPC164857
0.8811 High Similarity NPC186418
0.8808 High Similarity NPC302610
0.8803 High Similarity NPC251981
0.8803 High Similarity NPC7163
0.8803 High Similarity NPC13745
0.8803 High Similarity NPC48863
0.8794 High Similarity NPC299144
0.8794 High Similarity NPC319969
0.8792 High Similarity NPC175976
0.8786 High Similarity NPC19242
0.8786 High Similarity NPC240722
0.8786 High Similarity NPC244799
0.8767 High Similarity NPC140502
0.875 High Similarity NPC124149
0.875 High Similarity NPC246893
0.8741 High Similarity NPC73071
0.8733 High Similarity NPC90896
0.8733 High Similarity NPC283839
0.8718 High Similarity NPC472859
0.8718 High Similarity NPC25389
0.8718 High Similarity NPC311803
0.8716 High Similarity NPC475096
0.8714 High Similarity NPC295970
0.8714 High Similarity NPC27239
0.8714 High Similarity NPC123127
0.871 High Similarity NPC173726
0.871 High Similarity NPC241600
0.8707 High Similarity NPC91492
0.8707 High Similarity NPC7439
0.8707 High Similarity NPC34245
0.8707 High Similarity NPC256555
0.8707 High Similarity NPC110067
0.8696 High Similarity NPC163165
0.869 High Similarity NPC212770
0.869 High Similarity NPC270256
0.869 High Similarity NPC226005
0.869 High Similarity NPC98777
0.8681 High Similarity NPC286843
0.8681 High Similarity NPC166180
0.8671 High Similarity NPC474600
0.8671 High Similarity NPC92830
0.8658 High Similarity NPC125755
0.8658 High Similarity NPC476865
0.8658 High Similarity NPC190714
0.8658 High Similarity NPC99515
0.8654 High Similarity NPC119125
0.8654 High Similarity NPC166277
0.8652 High Similarity NPC80600
0.8652 High Similarity NPC472024
0.8649 High Similarity NPC471763
0.8643 High Similarity NPC302378
0.8642 High Similarity NPC84482
0.8642 High Similarity NPC169645
0.8639 High Similarity NPC469559
0.8639 High Similarity NPC189115
0.863 High Similarity NPC312881
0.8621 High Similarity NPC232246
0.8621 High Similarity NPC153818
0.8621 High Similarity NPC59324
0.8621 High Similarity NPC65530
0.8611 High Similarity NPC224941
0.8611 High Similarity NPC234865
0.8611 High Similarity NPC311430
0.8609 High Similarity NPC111785
0.8601 High Similarity NPC469449
0.8601 High Similarity NPC132895
0.8601 High Similarity NPC26673
0.86 High Similarity NPC231149
0.8599 High Similarity NPC217950
0.8592 High Similarity NPC29734
0.8592 High Similarity NPC9912
0.8591 High Similarity NPC476868
0.8591 High Similarity NPC161700
0.8591 High Similarity NPC34927
0.8591 High Similarity NPC476869
0.8591 High Similarity NPC100998
0.8591 High Similarity NPC476866
0.8591 High Similarity NPC252292
0.8591 High Similarity NPC34587
0.8591 High Similarity NPC277867
0.8591 High Similarity NPC476864
0.8591 High Similarity NPC138915
0.8591 High Similarity NPC476382
0.859 High Similarity NPC287872
0.859 High Similarity NPC74319
0.859 High Similarity NPC160780
0.859 High Similarity NPC289811
0.8582 High Similarity NPC248355
0.8582 High Similarity NPC166040
0.8582 High Similarity NPC270849
0.8582 High Similarity NPC26653
0.8581 High Similarity NPC236419
0.8571 High Similarity NPC8712
0.8571 High Similarity NPC195357
0.8571 High Similarity NPC469661
0.8571 High Similarity NPC152771
0.8571 High Similarity NPC287286
0.8562 High Similarity NPC135345
0.8562 High Similarity NPC472611
0.8562 High Similarity NPC289967
0.8562 High Similarity NPC279573
0.8562 High Similarity NPC472612
0.8553 High Similarity NPC238140
0.8552 High Similarity NPC471719
0.8552 High Similarity NPC203230
0.8552 High Similarity NPC188380
0.8552 High Similarity NPC242028
0.8552 High Similarity NPC224543
0.8552 High Similarity NPC78746
0.8552 High Similarity NPC26954
0.8552 High Similarity NPC38099

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC96294 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
0.965 High Similarity NPD1653 Approved
0.8303 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.82 Intermediate Similarity NPD1652 Phase 2
0.8188 Intermediate Similarity NPD7266 Discontinued
0.8171 Intermediate Similarity NPD7054 Approved
0.8121 Intermediate Similarity NPD7472 Approved
0.811 Intermediate Similarity NPD3818 Discontinued
0.8027 Intermediate Similarity NPD1613 Approved
0.8027 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8014 Intermediate Similarity NPD1091 Approved
0.8012 Intermediate Similarity NPD7074 Phase 3
0.7976 Intermediate Similarity NPD7808 Phase 3
0.7964 Intermediate Similarity NPD6797 Phase 2
0.7952 Intermediate Similarity NPD5844 Phase 1
0.795 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7937 Intermediate Similarity NPD3817 Phase 2
0.7917 Intermediate Similarity NPD7251 Discontinued
0.7914 Intermediate Similarity NPD7199 Phase 2
0.7888 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7852 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7852 Intermediate Similarity NPD5124 Phase 1
0.7823 Intermediate Similarity NPD3027 Phase 3
0.7812 Intermediate Similarity NPD37 Approved
0.7778 Intermediate Similarity NPD4967 Phase 2
0.7778 Intermediate Similarity NPD4966 Approved
0.7778 Intermediate Similarity NPD4965 Approved
0.7764 Intermediate Similarity NPD2801 Approved
0.7762 Intermediate Similarity NPD422 Phase 1
0.7755 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD6674 Discontinued
0.7716 Intermediate Similarity NPD5402 Approved
0.7711 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7706 Intermediate Similarity NPD6559 Discontinued
0.7702 Intermediate Similarity NPD1934 Approved
0.7687 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7683 Intermediate Similarity NPD6234 Discontinued
0.7679 Intermediate Similarity NPD7228 Approved
0.7661 Intermediate Similarity NPD7549 Discontinued
0.761 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD6166 Phase 2
0.756 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7543 Intermediate Similarity NPD6842 Approved
0.7543 Intermediate Similarity NPD6841 Approved
0.7543 Intermediate Similarity NPD6843 Phase 3
0.7529 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7685 Pre-registration
0.75 Intermediate Similarity NPD7240 Approved
0.745 Intermediate Similarity NPD3018 Phase 2
0.7448 Intermediate Similarity NPD3496 Discontinued
0.7442 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD1465 Phase 2
0.7439 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD8455 Phase 2
0.7438 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7425 Intermediate Similarity NPD5494 Approved
0.7421 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD7075 Discontinued
0.7405 Intermediate Similarity NPD6190 Approved
0.7397 Intermediate Similarity NPD3705 Approved
0.7391 Intermediate Similarity NPD5403 Approved
0.7386 Intermediate Similarity NPD1933 Approved
0.7386 Intermediate Similarity NPD447 Suspended
0.7378 Intermediate Similarity NPD6801 Discontinued
0.7375 Intermediate Similarity NPD5401 Approved
0.7362 Intermediate Similarity NPD4380 Phase 2
0.7349 Intermediate Similarity NPD3882 Suspended
0.7333 Intermediate Similarity NPD7819 Suspended
0.7312 Intermediate Similarity NPD1511 Approved
0.7312 Intermediate Similarity NPD6799 Approved
0.731 Intermediate Similarity NPD1357 Approved
0.7297 Intermediate Similarity NPD2983 Phase 2
0.7297 Intermediate Similarity NPD2982 Phase 2
0.7285 Intermediate Similarity NPD4908 Phase 1
0.7278 Intermediate Similarity NPD8127 Discontinued
0.7273 Intermediate Similarity NPD230 Phase 1
0.7267 Intermediate Similarity NPD3751 Discontinued
0.7255 Intermediate Similarity NPD6233 Phase 2
0.7241 Intermediate Similarity NPD1548 Phase 1
0.7235 Intermediate Similarity NPD3787 Discontinued
0.7233 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD2981 Phase 2
0.7222 Intermediate Similarity NPD1512 Approved
0.7219 Intermediate Similarity NPD2861 Phase 2
0.719 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD7097 Phase 1
0.7171 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD1610 Phase 2
0.716 Intermediate Similarity NPD919 Approved
0.7135 Intermediate Similarity NPD6232 Discontinued
0.7134 Intermediate Similarity NPD3686 Approved
0.7134 Intermediate Similarity NPD3687 Approved
0.7133 Intermediate Similarity NPD3225 Approved
0.7127 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD3750 Approved
0.7125 Intermediate Similarity NPD4628 Phase 3
0.7117 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD7411 Suspended
0.7107 Intermediate Similarity NPD2424 Discontinued
0.7101 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD4060 Phase 1
0.7089 Intermediate Similarity NPD2796 Approved
0.7083 Intermediate Similarity NPD5353 Approved
0.7078 Intermediate Similarity NPD6798 Discontinued
0.7078 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD1358 Approved
0.7071 Intermediate Similarity NPD290 Approved
0.7067 Intermediate Similarity NPD4749 Approved
0.7063 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD5536 Phase 2
0.7051 Intermediate Similarity NPD4340 Discontinued
0.7048 Intermediate Similarity NPD6599 Discontinued
0.7044 Intermediate Similarity NPD5762 Approved
0.7044 Intermediate Similarity NPD5763 Approved
0.7037 Intermediate Similarity NPD5058 Phase 3
0.7027 Intermediate Similarity NPD1778 Approved
0.7025 Intermediate Similarity NPD3748 Approved
0.7022 Intermediate Similarity NPD8313 Approved
0.7022 Intermediate Similarity NPD8312 Approved
0.7018 Intermediate Similarity NPD5677 Discontinued
0.7011 Intermediate Similarity NPD7473 Discontinued
0.7 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1549 Phase 2
0.6994 Remote Similarity NPD4357 Discontinued
0.6981 Remote Similarity NPD1551 Phase 2
0.6981 Remote Similarity NPD2935 Discontinued
0.6977 Remote Similarity NPD1247 Approved
0.6974 Remote Similarity NPD2797 Approved
0.6968 Remote Similarity NPD1296 Phase 2
0.6951 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6944 Remote Similarity NPD7843 Approved
0.6943 Remote Similarity NPD6355 Discontinued
0.6937 Remote Similarity NPD3540 Phase 1
0.6937 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6937 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6929 Remote Similarity NPD9697 Approved
0.6918 Remote Similarity NPD7033 Discontinued
0.6918 Remote Similarity NPD7157 Approved
0.6918 Remote Similarity NPD6671 Approved
0.6914 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6914 Remote Similarity NPD4110 Phase 3
0.6911 Remote Similarity NPD7583 Approved
0.6908 Remote Similarity NPD8651 Approved
0.6905 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6903 Remote Similarity NPD4625 Phase 3
0.6903 Remote Similarity NPD7095 Approved
0.6901 Remote Similarity NPD2684 Approved
0.6899 Remote Similarity NPD6653 Approved
0.6898 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6879 Remote Similarity NPD3134 Approved
0.6879 Remote Similarity NPD4140 Approved
0.6875 Remote Similarity NPD7585 Approved
0.6875 Remote Similarity NPD228 Approved
0.6875 Remote Similarity NPD3539 Phase 1
0.6859 Remote Similarity NPD3268 Approved
0.6855 Remote Similarity NPD4536 Approved
0.6855 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6855 Remote Similarity NPD4538 Approved
0.6852 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6848 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6846 Remote Similarity NPD5691 Approved
0.6845 Remote Similarity NPD4678 Approved
0.6845 Remote Similarity NPD4675 Approved
0.6842 Remote Similarity NPD7768 Phase 2
0.6842 Remote Similarity NPD7680 Approved
0.6839 Remote Similarity NPD6832 Phase 2
0.6835 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6832 Remote Similarity NPD1375 Discontinued
0.6828 Remote Similarity NPD5535 Approved
0.6816 Remote Similarity NPD7038 Approved
0.6816 Remote Similarity NPD7039 Approved
0.6813 Remote Similarity NPD1510 Phase 2
0.681 Remote Similarity NPD7982 Clinical (unspecified phase)
0.68 Remote Similarity NPD4626 Approved
0.6791 Remote Similarity NPD6621 Clinical (unspecified phase)
0.6788 Remote Similarity NPD1774 Approved
0.6788 Remote Similarity NPD5297 Approved
0.6786 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6784 Remote Similarity NPD6374 Clinical (unspecified phase)
0.6784 Remote Similarity NPD2415 Discontinued
0.6784 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6781 Remote Similarity NPD5283 Phase 1
0.6776 Remote Similarity NPD9717 Approved
0.677 Remote Similarity NPD6032 Approved
0.6769 Remote Similarity NPD7783 Phase 2
0.6769 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6768 Remote Similarity NPD2677 Approved
0.6768 Remote Similarity NPD2219 Phase 1
0.6766 Remote Similarity NPD920 Approved
0.6761 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6754 Remote Similarity NPD7435 Discontinued
0.6752 Remote Similarity NPD7985 Registered
0.675 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6747 Remote Similarity NPD7410 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   439514
ChEMBL   CHEMBL225024
ZINC  

Physicochemical Properties

Molecular Weight:  354.10
ALogP:  -1.989
MLogP:  2.23
XLogP:  -0.02
# Rotatable Bonds:  9
Polar Surface Area:  134.91
# H-Bond Aceptor:  6
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  25

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Biological Activities  
Similar NPs/Drugs