Natural Product: NPC224651

Natural Product ID:  NPC224651
Common Name:   Fumaric Acid
IUPAC Name:   (E)-but-2-enedioic acid
Synonyms:   E297; Fumaric Acid
Molecular Formula:   C4H4O4
Standard InCHIKey:  VZCYOOQTPOCHFL-OWOJBTEDSA-N
Standard InCHI:  InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
Canonical SMILES:  OC(=O)/C=C/C(=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
NPO14204 Herba sarcandrae NA NA NA TCMSP*
NPO21139 Daphniphyllum calycinum Species Daphniphyllaceae Eukaryota TCMID*
NPO12971 Payena lucida Species Sapotaceae Eukaryota UNPD*
NPO23017 Urtica dioica Species Urticaceae Eukaryota TCM_Taiwan*
NPO8724 Daviesia latifolia Species Fabaceae Eukaryota UNPD*
NPO4299 Michelia longifolia Species Magnoliaceae Eukaryota UNPD*
NPO26219 Sorbus coronata Species Rosaceae Eukaryota UNPD*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO12737.1 Torreya fargesii var. yunnanensis Varieties Taxaceae Eukaryota TCMID*
NPO15997 Aglaia cordata Species Meliaceae Eukaryota UNPD*
NPO29331 Pyrrosia sheareri Species Polypodiaceae Eukaryota TCM_Taiwan*
NPO4000 Archidendron lucidum Species Fabaceae Eukaryota UNPD*
NPO7574 Garcinia pyrifera Species Clusiaceae Eukaryota UNPD*
NPO13651 Chondodendron toxicoferum NA NA NA UNPD*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO590 Malus domestica Species Rosaceae Eukaryota TCMID*
NPO11261 Euclea natalensis Species Ebenaceae Eukaryota UNPD*
NPO3353 Saccharum sinensis Species Poaceae Eukaryota TCM_Taiwan*
NPO5727 Hymenothrix wislizenii Species Asteraceae Eukaryota UNPD*
NPO11214 Rivina humilis Species Petiveriaceae Eukaryota UNPD*
NPO6038 Acanthamoeba culbertsoni Species Acanthamoebidae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO454 Helianthus annuus Species Asteraceae Eukaryota TCMID*
NPO2777 Cirsium brevistylum Species Asteraceae Eukaryota UNPD*
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]
NPO5673 Didemnum voeltzkowi Species Didemnidae Eukaryota UNPD*
NPO7379 Clostridium butyricum Species Clostridiaceae Bacteria UNPD*
NPO10861 Dipsacus asper Species Caprifoliaceae Eukaryota UNPD*
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TM-MC*
NPO21324 Plantago major Species Plantaginaceae Eukaryota TCMID*
NPO3173 Parmelia loxodella Species Parmeliaceae Eukaryota UNPD*
NPO454 Helianthus annuus Species Asteraceae Eukaryota TCM_Taiwan*
NPO14205 Uraria picta Species Fabaceae Eukaryota UNPD*
NPO1930 Streptomyces lusitanus Species Streptomycetaceae Bacteria UNPD*
NPO13749 Luvunga scandens Species Rutaceae Eukaryota UNPD*
NPO15723 Bupleurum aureum Species Apiaceae Eukaryota UNPD*
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota TM-MC*
NPO23017 Urtica dioica Species Urticaceae Eukaryota TCMID*
NPO12805 Othonna intermedia Species Asteraceae Eukaryota UNPD*
NPO827 Corydalis yanhusuo Species Papaveraceae Eukaryota TCM_Taiwan*
NPO8877 Diospyros chamaethamnus Species Ebenaceae Eukaryota UNPD*
NPO5154 Tsuga diversifolia Species Pinaceae Eukaryota UNPD*
NPO15410 Erlangea cordifolia Species Asteraceae Eukaryota UNPD*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TM-MC*
NPO10031 Euphorbia antiquorum Species Euphorbiaceae Eukaryota TCMID*
NPO10116 Sphaeranthus indicus Species Asteraceae Eukaryota UNPD*
NPO14873 Pityrodia ternifolia Species Lamiaceae Eukaryota UNPD*
NPO1836 Eupatorium recurvans Species Asteraceae Eukaryota UNPD*
NPO15614 Diplopappus filifolius NA NA NA UNPD*
NPO16501 Capsicum annuum Species Solanaceae Eukaryota TM-MC*
NPO29331 Pyrrosia sheareri Species Polypodiaceae Eukaryota TCMID*
NPO13028 Trichoscypha acuminata Species Anacardiaceae Eukaryota UNPD*
NPO1249 Euphorbia sieboldiana Species Euphorbiaceae Eukaryota UNPD*
NPO12030 Streptomyces yokosukanensis Species Streptomycetaceae Bacteria UNPD*
NPO591 Penicillium meleagrinum Species Aspergillaceae Eukaryota UNPD*
NPO2466 Aloe microstigma Species Asphodelaceae Eukaryota UNPD*
NPO1756 Cremastra appendiculata Species Orchidaceae Eukaryota TM-MC*
NPO20441 Glaucium flavum Species Papaveraceae Eukaryota TCMID*
NPO9498 Papaver somniferum Species Papaveraceae Eukaryota UNPD*
NPO7859 Euonymus atropurpurea Species Celastraceae Eukaryota UNPD*
NPO8681 Artemisia lactiflora Species Asteraceae Eukaryota UNPD*
NPO7313 Epirrhoe sperryi Species Geometridae Eukaryota UNPD*
NPO11796 Morus australis Species Moraceae Eukaryota UNPD*
NPO17553 Pleione bulbocodioides Species Orchidaceae Eukaryota TM-MC*
NPO24010 Buglossoides arvensis Species Boraginaceae Eukaryota TCMID*
NPO7098 Phebalium ambiens Species Rutaceae Eukaryota UNPD*
NPO244 Stachyurus himalaicus Species Stachyuraceae Eukaryota UNPD*
NPO18488 Streptomyces griseolus Species Streptomycetaceae Bacteria UNPD*
NPO22397 Equiseti hiemalis herba NA NA NA TCMSP*
NPO19412 Capsella bursa Species Donacidae Eukaryota UNPD*
NPO12875 Pleione yunnanensis Species Orchidaceae Eukaryota TM-MC*
NPO16705 Krameria parvifolia Species Krameriaceae Eukaryota UNPD*
NPO22561 Dickeya chrysanthemi Species Pectobacteriaceae Bacteria UNPD*
NPO9835 Catalpa ovata Species Bignoniaceae Eukaryota UNPD*
NPO14334 Picea jezoensis Species Pinaceae Eukaryota UNPD*
NPO29542 Lobeliae chinensis herba NA NA NA TCMSP*
NPO12411 Eriostemon spicatus Species Rutaceae Eukaryota UNPD*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TM-MC*
NPO1384 Cucumis myriocarpus Species Cucurbitaceae Eukaryota UNPD*
NPO10176 Chrozophora prostrata Species Euphorbiaceae Eukaryota UNPD*
NPO5769 Neviusia alabamensis Species Rosaceae Eukaryota UNPD*
NPO17045 Argyreia speciosa Species Convolvulaceae Eukaryota UNPD*
NPO9541 Suaeda salsa Species Chenopodiaceae Eukaryota UNPD*
NPO19487 Dorstenia mannii Species Moraceae Eukaryota UNPD*
NPO16497 Trichosanthes kirilowii maxim Species Cucurbitaceae Eukaryota TCMSP*
NPO10516 Lactarius piperatus Species Russulaceae Eukaryota UNPD*
NPO23518 Polygonatum odoratum Species Asparagaceae Eukaryota TM-MC*
NPO7897 Passiflora foetida Species Passifloraceae Eukaryota UNPD*
NPO874 Narthecium asiaticum Species Nartheciaceae Eukaryota UNPD*
NPO15398 Rhizopus stolonifer Species Rhizopodaceae Eukaryota UNPD*
NPO27213 Nephrolepis biserrata Species Lomariopsidaceae Eukaryota UNPD*
NPO15526 Glochidion zeylanicum Species Phyllanthaceae Eukaryota UNPD*
NPO5208 Ligusticum lucidum Species Apiaceae Eukaryota UNPD*
NPO12562 Gnaphalii affinis herba NA NA NA TCMSP*
NPO13232 Gaillardia tontalensis Species Asteraceae Eukaryota UNPD*
NPO29221 Sarcandra glabra Species Chloranthaceae Eukaryota TM-MC*
NPO2348 Tripterygium regelii Species Celastraceae Eukaryota UNPD*
NPO2551 Plumbagella micrantha Species Plumbaginaceae Eukaryota UNPD*
NPO5599 Chrysocoma peduncularis Species Asteraceae Eukaryota UNPD*
NPO29704 Pyrrosiae folium NA NA NA TCMSP*
NPO10595 Othonna cylindrica Species Asteraceae Eukaryota UNPD*
NPO29535 Samadera indica Species Simaroubaceae Eukaryota UNPD*
NPO12858 Jacaranda chelonia Species Bignoniaceae Eukaryota UNPD*
NPO14746 Uroblaniulus canadensis Species Parajulidae Eukaryota UNPD*
NPO16900 Aesculus turbinata Species Hippocastanaceae Eukaryota UNPD*
NPO12321 Semiaquilegiae radix NA NA NA TCMSP*
NPO14893 Streptomyces eurocidicus Species Streptomycetaceae Bacteria UNPD*
NPO523 Tussilago farfara Species Asteraceae Eukaryota TM-MC*
NPO11439 Halimeda discoidea Species Halimedaceae Eukaryota UNPD*
NPO15903 Goupia tomentosa Species Goupiaceae Eukaryota UNPD*
NPO16742.1 Syringa pubescens subsp. patula Subspecies Oleaceae Eukaryota UNPD*
NPO29692 Isatidis folium NA NA NA TCMSP*
NPO16030 Lecanora coniza Species Lecanoraceae Eukaryota UNPD*
NPO5065 Cladonia fallax Species Cladoniaceae Eukaryota TCMID*
NPO962 Vernonanthura pinguis Species Asteraceae Eukaryota UNPD*
NPO12029 Sicana odorifera Species Cucurbitaceae Eukaryota UNPD*
NPO3283 Cleome icosandra Species Cleomaceae Eukaryota UNPD*
NPO29588 Ganoderma Genus Ganodermataceae Eukaryota TCMSP*
NPO2740 Pteris plumbea Species Pteridaceae Eukaryota UNPD*
NPO26429 Capsella bursa-pastoris Species Brassicaceae Eukaryota TCMID*
NPO15813 Spiraea formosa Species Rosaceae Eukaryota UNPD*
NPO10856 Passiflora edulis Species Passifloraceae Eukaryota UNPD*
NPO11785 Citrus hassaku Species Rutaceae Eukaryota UNPD*
NPO29690 Leonuri herba NA NA NA TCMSP*
NPO17562 Phyllidiella pustulosa Species Phyllidiidae Eukaryota UNPD*
NPO10246 Fumaria officinalis Species Papaveraceae Eukaryota TCMID*
NPO25424 Putterlickia verrucosa Species Celastraceae Eukaryota UNPD*
NPO2277 Angylocalyx braunii Species Fabaceae Eukaryota UNPD*
NPO17863 Artocarpus styracifolius Species Moraceae Eukaryota UNPD*
NPO4440 Typhonii rhizoma NA NA NA TCMSP*
NPO8604 Helichrysum zeyheri Species Asteraceae Eukaryota UNPD*
NPO22234 Ficus carica Species Moraceae Eukaryota TCMID*
NPO11193 Cyperus esculentus Species Cyperaceae Eukaryota UNPD*
NPO11032 Coutarea latifolia Species Rubiaceae Eukaryota UNPD*
NPO6513 Vernonia condensata Species Asteraceae Eukaryota UNPD*
NPO4786 Chrysotila lamellosa Species Isochrysidaceae Eukaryota UNPD*
NPO716 Greenwayodendron oliveri Species Annonaceae Eukaryota UNPD*
NPO12328 Ampelopsis japonica Species Vitaceae Eukaryota TCMSP*
NPO27 Gentiana dahurica Species Gentianaceae Eukaryota UNPD*
NPO356 Cladonia rangiferina Species Cladoniaceae Eukaryota TCMID*
NPO18896 Swertia chinensis Species Gentianaceae Eukaryota UNPD*
NPO13481 Laurencia claviformis Species Rhodomelaceae Eukaryota UNPD*
NPO16734 Perithalia caudata Species Sporochnaceae Eukaryota UNPD*
NPO13087 Pteridium aquilinum Species Dennstaedtiaceae Eukaryota UNPD*
NPO24113 Potentillae discoloris herba NA NA NA TCMSP*
NPO17431 Vernonia profuga Species Asteraceae Eukaryota UNPD*
NPO3353 Saccharum sinensis Species Poaceae Eukaryota TCMID*
NPO1637 Ganoderma japonicum Species Ganodermataceae Eukaryota TCM_Taiwan*
NPO15092 Alternaria infectoria Species Pleosporaceae Eukaryota UNPD*
NPO8389 Ophryosporus floribundus Species Asteraceae Eukaryota UNPD*
NPO18822 Dacrydium intermedium Species Mytilidae Eukaryota UNPD*
NPO3330 Capsellae herba NA NA NA TCMSP*
NPO7235 Brachychiton populneum Species Malvaceae Eukaryota UNPD*
NPO827 Corydalis yanhusuo Species Papaveraceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva DOI[10.1007/s11306-012-0464-y]
NPO7312 Aplidium multiplicatum Species Polyclinidae Eukaryota UNPD*
NPO9145 Herbertus aduncus Species Herbertaceae Eukaryota UNPD*
NPO1776 Attalea excelsa Species Arecaceae Eukaryota UNPD*
NPO10503 Semen aesculi NA NA NA TCMSP*
NPO2213 Chavica betle NA NA NA UNPD*
NPO29221 Sarcandra glabra Species Chloranthaceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota breast milk PMID[24027187]
NPO22902 Alnus alnobetula Species Betulaceae Eukaryota UNPD*
NPO8639 Agaricus xanthodermus Species Agaricaceae Eukaryota UNPD*
NPO7317 Citrus aurantium Species Rutaceae Eukaryota UNPD*
NPO29666 Plantaginis herba NA NA NA TCMSP*
NPO27659 Tanacetum parthenifolium Species Asteraceae Eukaryota UNPD*
NPO11043 Pisum sativum Species Fabaceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[8412012]
NPO7047 Psiadia arabica Species Asteraceae Eukaryota UNPD*
NPO23104 Wedelia scaberrima Species Asteraceae Eukaryota UNPD*
NPO25076 Salicornia herbacea Species Chenopodiaceae Eukaryota UNPD*
NPO28423 Apocyniveneti folium NA NA NA TCMSP*
NPO13121 Crepidiastrum sonchifolium Species Asteraceae Eukaryota UNPD*
NPO1637 Ganoderma japonicum Species Ganodermataceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[19573517]
NPO11531 Duguetia calycina Species Annonaceae Eukaryota UNPD*
NPO7723 Pectinia lactuca Species Merulinidae Eukaryota UNPD*
NPO7026 Vismia orientalis Species Hypericaceae Eukaryota UNPD*
NPO29551 Mori fructus NA NA NA TCMSP*
NPO12291 Rhodococcus ruber Species Nocardiaceae Bacteria UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO12505 Stigmodera macularia Species Buprestidae Eukaryota UNPD*
NPO13356 Thalictrum fauriei Species Ranunculaceae Eukaryota UNPD*
NPO9204 Streptomyces argillaceus Species Streptomycetaceae Bacteria UNPD*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMSP*
NPO14061 Tetraploa aristata Species Tetraplosphaeriaceae Eukaryota UNPD*
NPO1159 Artemisia laciniata Species Asteraceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[8412012]
NPO8814 Euphrasia pectinata Species Orobanchaceae Eukaryota UNPD*
NPO6093 Podocarpus cupressinus Species Podocarpaceae Eukaryota UNPD*
NPO15302 Acronychia acidula Species Rutaceae Eukaryota UNPD*
NPO29621 Portulacae herba NA NA NA TCMSP*
NPO10093 Castanopsis hystrix Species Fagaceae Eukaryota UNPD*
NPO19220 Laurencia nidifica Species Rhodomelaceae Eukaryota UNPD*
NPO20441 Glaucium flavum Species Papaveraceae Eukaryota TCM_Taiwan*
NPO5786 Desmodium oxyphyllum Species Fabaceae Eukaryota UNPD*
NPO13895 Sessibugula translucens NA NA NA UNPD*
NPO12516 Phalaris canariensis Species Poaceae Eukaryota UNPD*
NPO29644 Xanthii fructus NA NA NA TCMSP*
NPO14624 Pertusaria pseudocorallina Species Pertusariaceae Eukaryota UNPD*
NPO15628 Strychnos panamensis Species Loganiaceae Eukaryota UNPD*
NPO21324 Plantago major Species Plantaginaceae Eukaryota TCM_Taiwan*
NPO23600 Bridelia moonii Species Phyllanthaceae Eukaryota UNPD*
NPO19064 Forsythia giraldiana Species Oleaceae Eukaryota UNPD*
NPO4633 Calypogeia integristipula Species Calypogeiaceae Eukaryota UNPD*
NPO29685 Eucommiae folium NA NA NA TCMSP*
NPO4129 Veronica persica Species Plantaginaceae Eukaryota UNPD*
NPO22234 Ficus carica Species Moraceae Eukaryota TCM_Taiwan*
NPO11598 Callitris macleayana Species Cupressaceae Eukaryota UNPD*
NPO14467 Senecio taiwanensis Species Asteraceae Eukaryota UNPD*
NPO3729 Cetraria islandica Species Parmeliaceae Eukaryota UNPD*
NPO5603 Eupatorium fortunei turcz Species Asteraceae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT661 Individual Protein Solute carrier family 22 member 6 Mus musculus Ki = 616595 nM 17553798
NPT661 Individual Protein Solute carrier family 22 member 6 Mus musculus Ki = 610000 nM 17553798
NPT662 Individual Protein Solute carrier family 22 member 20 Mus musculus Ki > 31622776.6 nM 17553798
NPT662 Individual Protein Solute carrier family 22 member 20 Mus musculus Ki > 30000000 nM 17553798
NPT2 Others Unspecified IC50 = 2300000 nM 18942826
NPT2 Others Unspecified IC50 = 1600000 nM 18942826
NPT2 Others Unspecified IC50 > 10000000 nM 18942826
NPT2883 Individual Protein Egl nine homolog 1 Homo sapiens IC50 = 19000 nM 18942826
NPT2 Others Unspecified IC50 = 19090 nM 19364117
NPT642 Individual Protein NADP-dependent malic enzyme, mitochondrial Homo sapiens Activity = 0.96 nM 19595601
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 3981.1 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 251.2 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 32629.4 nM PubChem BioAssay data set
NPT525 Individual Protein Hydroxycarboxylic acid receptor 2 Homo sapiens Activity = 10 % 21167710
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 3162.3 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 421.6 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 920 nM PubChem BioAssay data set
NPT2883 Individual Protein Egl nine homolog 1 Homo sapiens IC50 = 220000 nM 23234607
NPT2883 Individual Protein Egl nine homolog 1 Homo sapiens Kd = 200000 nM 23234607
NPT2883 Individual Protein Egl nine homolog 1 Homo sapiens Inhibition = 25 % 23234607
NPT1510 Individual Protein Alpha-ketoglutarate-dependent dioxygenase FTO Homo sapiens IC50 = 150000 nM 23547775
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 72373.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 36272.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2308.7 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 38570.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61652.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 74978 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21875.1 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 25904.6 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 NPC224651 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 NPC98098
0.9118 High Similarity NPC107877
0.9091 High Similarity NPC60675
0.9091 High Similarity NPC297363
0.871 High Similarity NPC323552
0.8611 High Similarity NPC298413
0.8387 Intermediate Similarity NPC20903
0.8333 Intermediate Similarity NPC63598
0.7949 Intermediate Similarity NPC41409
0.7895 Intermediate Similarity NPC8270
0.7778 Intermediate Similarity NPC308418
0.7692 Intermediate Similarity NPC221250
0.75 Intermediate Similarity NPC102879
0.7027 Intermediate Similarity NPC122676
0.7 Intermediate Similarity NPC281043
0.6757 Remote Similarity NPC217161
0.675 Remote Similarity NPC147824
0.6596 Remote Similarity NPC43053
0.6585 Remote Similarity NPC297608
0.6585 Remote Similarity NPC250954
0.6571 Remote Similarity NPC280312
0.6522 Remote Similarity NPC122212
0.6522 Remote Similarity NPC137419
0.6444 Remote Similarity NPC87137
0.6383 Remote Similarity NPC221467
0.6364 Remote Similarity NPC304079
0.6364 Remote Similarity NPC6963
0.6304 Remote Similarity NPC128520
0.619 Remote Similarity NPC203382
0.6087 Remote Similarity NPC308331
0.6 Remote Similarity NPC65353
0.5962 Remote Similarity NPC51846
0.5952 Remote Similarity NPC116125
0.5909 Remote Similarity NPC169098
0.5882 Remote Similarity NPC135537
0.5882 Remote Similarity NPC474127
0.5849 Remote Similarity NPC129150
0.5849 Remote Similarity NPC294938
0.5833 Remote Similarity NPC126184
0.5833 Remote Similarity NPC313553
0.5741 Remote Similarity NPC189700
0.5741 Remote Similarity NPC34416
0.5741 Remote Similarity NPC223679
0.5741 Remote Similarity NPC254095
0.5676 Remote Similarity NPC8466
0.566 Remote Similarity NPC324224
0.566 Remote Similarity NPC472808
0.5641 Remote Similarity NPC304788
0.5636 Remote Similarity NPC97570
0.5636 Remote Similarity NPC82465
0.5636 Remote Similarity NPC86789
0.5625 Remote Similarity NPC90490
0.561 Remote Similarity NPC9290

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC224651 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 NPD8573 Approved
0.8387 Intermediate Similarity NPD8187 Phase 3
0.7568 Intermediate Similarity NPD9115 Approved
0.6857 Remote Similarity NPD9114 Clinical (unspecified phase)
0.617 Remote Similarity NPD4220 Pre-registration
0.6136 Remote Similarity NPD9411 Phase 1

Structure

External Identifiers

PubChem CID   444972;21883788
ChEMBL   CHEMBL503160
ZINC  

Physicochemical Properties

Molecular Weight:  116.01
ALogP:  -0.2252
MLogP:  1.46
XLogP:  -0.416
# Rotatable Bonds:  4
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  8

Download Data

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