Natural Product: NPC78500

Natural Product ID:  NPC78500
Common Name:   Benzaldehyde
IUPAC Name:   benzaldehyde
Synonyms:   Benzaldehyde
Molecular Formula:   C7H6O
Standard InCHIKey:  HUMNYLRZRPPJDN-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
Canonical SMILES:  O=Cc1ccccc1
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
NPO23213 Bistorta officinalis Species Polygonaceae Eukaryota TM-MC*
NPO6444 Humulus scandens Species Cannabaceae Eukaryota TCMSP*
NPO25896 Bragantia wallichii NA NA NA UNPD*
NPO23188 Folium perillae NA NA NA TCMID*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO5946 Caryophylliflos NA NA NA TCMSP*
NPO205 Lasianthus fordii Species Rubiaceae Eukaryota UNPD*
NPO26657 Conocephalum conicum Species Conocephalaceae Eukaryota TCMID*
NPO5293 Caulis perillae frutescentis NA NA NA TCMID*
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota TM-MC*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO12509 Dipterocarpus dyeri Species Dipterocarpaceae Eukaryota UNPD*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TCMID*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO29622 Siphonostegiae herba NA NA NA TCMSP*
NPO1032 Piper attenuatum Species Piperaceae Eukaryota UNPD*
NPO22178.1 Centranthus longiflorus ssp. longiflorus Subspecies Caprifoliaceae Eukaryota TCMID*
NPO25099 Prunus mandshurica Species Rosaceae Eukaryota TM-MC*
NPO18840 Platycladi cacumen NA NA NA TCMSP*
NPO26607 Colobocentrotus atratus Species Echinidae Eukaryota UNPD*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TCMID*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO29677 Scutellariae barbatae herba NA NA NA TCMSP*
NPO14057 Apollonias barbujana Species Lauraceae Eukaryota UNPD*
NPO7447 Nemalion vermiculare Species Liagoraceae Eukaryota UNPD*
NPO18176 Ephedra sinica Species Ephedraceae Eukaryota TCMID*
NPO28679 Prunus mume Species Rosaceae Eukaryota TM-MC*
NPO3295 Herba clinopodii polycephali NA NA NA TCMSP*
NPO25923 Vismia jefensis Species Hypericaceae Eukaryota UNPD*
NPO26969 Sagittaria sagittifolia Species Alismataceae Eukaryota TCMID*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO4737 Arum ternatum thunb Species Araceae Eukaryota TCMSP*
NPO26435 Cistanches herba NA NA NA TCMSP*
NPO25972 Eupolyphaga sinensis Species Corydiidae Eukaryota UNPD*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota TCMID*
NPO20032 Prunus sibirica Species Rosaceae Eukaryota TM-MC*
NPO25292 Achyranthis bidentatae radix NA NA NA TCMSP*
NPO1456 Bersama abyssinica Species Melianthaceae Eukaryota UNPD*
NPO16703 Isodon lophanthoides Species Lamiaceae Eukaryota UNPD*
NPO26378 Bistorta manshuriensis Species Polygonaceae Eukaryota TM-MC*
NPO29720 Dianthi herba NA NA NA TCMSP*
NPO22505 Bombax ceiba Species Malvaceae Eukaryota UNPD*
NPO8859 Fructus caryophylli NA NA NA TCMID*
NPO16039 Scutellaria barbata Species Lamiaceae Eukaryota TM-MC*
NPO4750 Meliae azedarach fructus NA NA NA TCMSP*
NPO26654 Penicillium citreonigrum Species Aspergillaceae Eukaryota UNPD*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMID*
NPO16501 Capsicum annuum Species Solanaceae Eukaryota TM-MC*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO29715 Litchi chinensis Species Sapindaceae Eukaryota TCMSP*
NPO26184 Diphasia angolensis Species Rutaceae Eukaryota UNPD*
NPO13559 Herba artemisiae anomalae NA NA NA TCMID*
NPO26451 Ophiocoma scolopendrina Species Ophiocomidae Eukaryota UNPD*
NPO26650 Terminalia chebula Species Combretaceae Eukaryota TM-MC*
NPO1963 Ilicis cornutae folium immayuri NA NA NA TCMSP*
NPO13766 Ceanothus velutinus Species Rhamnaceae Eukaryota UNPD*
NPO26834 Eutypella scoparia Species Diatrypaceae Eukaryota UNPD*
NPO12755 Siphonostegia chinensis Species Orobanchaceae Eukaryota TCMID*
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota TM-MC*
NPO13077 Amygdalus communis vas NA NA NA TCMSP*
NPO26161 Globba malaccensis Species Zingiberaceae Eukaryota UNPD*
NPO8650.1 Perilla frutescens var. arguta Varieties Lamiaceae Eukaryota TCMID*
NPO5665 Ulva pertusa Species Ulvaceae Eukaryota UNPD*
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota TM-MC*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TCMSP*
NPO26211 Knightia excelsa Species Proteaceae Eukaryota UNPD*
NPO1795 Fragaria vesca Species Rosaceae Eukaryota UNPD*
NPO8255 Cinnamomum aromaticum Species Lauraceae Eukaryota TCMID*
NPO10494 Alpinia katsumadai Species Staphylinidae Eukaryota TCMID*
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota TM-MC*
NPO29545 Capsici fructus NA NA NA TCMSP*
NPO26507 Galenia africana Species Aizoaceae Eukaryota UNPD*
NPO23332.1 Dendrobium fimbriatum var. oculatum Varieties Orchidaceae Eukaryota TCMID*
NPO3465 Aconitum leucostomum Species Ranunculaceae Eukaryota UNPD*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TCMID*
NPO29559 Cinnamomi ramulus NA NA NA TCMSP*
NPO11638 Cinnanmomi cortex NA NA NA TCMSP*
NPO6783 Avrainvillea rawsonii Species Udoteaceae Eukaryota UNPD*
NPO4504 Cassia jahnii Species Fabaceae Eukaryota UNPD*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TCMID*
NPO15373 Actaea dahurica Species Ranunculaceae Eukaryota TM-MC*
NPO29575 Ardisiae japonicae herba NA NA NA TCMSP*
NPO6621 Salvadora persica Species Salvadoraceae Eukaryota UNPD*
NPO10597 Fructus syzygii NA NA NA TCMID*
NPO7383 Puccinia lagenophorae Species Pucciniaceae Eukaryota UNPD*
NPO28777 Ardisiae japonicae NA NA NA TCMID*
NPO2203 Flos genkwa Species Lycaenidae Eukaryota TCMSP*
NPO29594 Herba taxilli NA NA NA TCMSP*
NPO5191 Penicillium cinerascens Species Aspergillaceae Eukaryota UNPD*
NPO12582 Camptotheca acuminata Species Nyssaceae Eukaryota TCMID*
NPO15890 Actaea cimicifuga Species Ranunculaceae Eukaryota TM-MC*
NPO11172 Lepidii semen descurainiae semen NA NA NA TCMSP*
NPO26349 Frullania tamarisci Species Frullaniaceae Eukaryota UNPD*
NPO10029 Prunus dulcis Species Rosaceae Eukaryota TCMID*
NPO26023 Angelica tarokoensis Species Apiaceae Eukaryota UNPD*
NPO420 Eucheuma muricatum Species Solieriaceae Eukaryota TCMID*
NPO26646.2 Streptomyces ansochromogenes 7100 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO29581 Dalbergiae odoriferae lignum NA NA NA TCMSP*
NPO25949 Streptomyces griseovariabilis Species Streptomycetaceae Bacteria UNPD*
NPO15151 Syringa vulgaris Species Oleaceae Eukaryota TCMID*
NPO389 Actaea heracleifolia Species Ranunculaceae Eukaryota TM-MC*
NPO12028 Acori tataninowii rhizoma NA NA NA TCMSP*
NPO23741 Aspergillus violaceus Species Aspergillaceae Eukaryota UNPD*
NPO9942.1 Narcissus tazetta var. chinensis Varieties Amaryllidaceae Eukaryota TCMID*
NPO997 Peltodon longipes Species Lamiaceae Eukaryota UNPD*
NPO16841 Elsholtzia bodinieri Species Lamiaceae Eukaryota TCMID*
NPO32183 Streptomyces eri-cpda-1 Species Streptomycetaceae Bacteria StreptomeDB*
NPO7513 Cannabis sativa Species Cannabaceae Eukaryota TCMSP*
NPO14162 Chlorophytum borivilianum Species Asparagaceae Eukaryota UNPD*
NPO26429 Capsella bursa-pastoris Species Brassicaceae Eukaryota TCMID*
NPO2727 Actaea simplex Species Ranunculaceae Eukaryota TM-MC*
NPO19092 Morindae officinalis radix NA NA NA TCMSP*
NPO13014 Ipomoea cairica Species Convolvulaceae Eukaryota UNPD*
NPO23768 Camellia saluenensis Species Theaceae Eukaryota TCMID*
NPO26052 Swertia delavayi Species Gentianaceae Eukaryota UNPD*
NPO5665 Ulva pertusa Species Ulvaceae Eukaryota TCMID*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TM-MC*
NPO29641 Rhododendri daurici folium NA NA NA TCMSP*
NPO12409 Artemisia jacutica Species Asteraceae Eukaryota UNPD*
NPO2549 Ramulus cinnamomi preparata Species Phasmatidae Eukaryota TCMID*
NPO9546 Cinamomum cassia NA NA NA TM-MC*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO9718 Cyphelium chrysocephalum Species Caliciaceae Eukaryota UNPD*
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota TCMID*
NPO11998 Ledebouria socialis Species Hyacinthaceae Eukaryota UNPD*
NPO25645 Flos lonicerae Species Lycaenidae Eukaryota TCMID*
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota TM-MC*
NPO11291 Styrax benzoin Species Styracaceae Eukaryota TCM_Taiwan*
NPO3809 Eucalyptus cladocalyx Species Myrtaceae Eukaryota UNPD*
NPO22234 Ficus carica Species Moraceae Eukaryota TCMID*
NPO8255 Cinnamomum aromaticum Species Lauraceae Eukaryota TM-MC*
NPO29723 Solidaginis herba NA NA NA TCMSP*
NPO8892 Sordaria araneosa Species Sordariaceae Eukaryota UNPD*
NPO25870 Vaccinium vitis-idaea Species Ericaceae Eukaryota UNPD*
NPO13968 Garcinia scortechinii Species Clusiaceae Eukaryota UNPD*
NPO17954.1 Narcissus tazetta l var. chinensis roem. Varieties Amaryllidaceae Eukaryota TCM_Taiwan*
NPO4004 Aquilegia ecalcarata Species Ranunculaceae Eukaryota UNPD*
NPO10608 Exodermis poria NA NA NA TCMID*
NPO9445 Crocus sativus Species Iridaceae Eukaryota TM-MC*
NPO9454 Piperis fructus NA NA NA TCMSP*
NPO25792 Delphinium andersoni Species Ranunculaceae Eukaryota UNPD*
NPO26374 Alangium premnifolium Species Cornaceae Eukaryota UNPD*
NPO26624 Ilex amara Species Aquifoliaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO14358 Rhodobacter sphaeroides Species Rhodobacteraceae Bacteria UNPD*
NPO28679 Prunus mume Species Rosaceae Eukaryota TCMID*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TM-MC*
NPO29654 Lonicerae japonicae flos NA NA NA TCMSP*
NPO9456 Rubus sanctus Species Rosaceae Eukaryota UNPD*
NPO26927 Salacia madagascariensis Species Celastraceae Eukaryota UNPD*
NPO25769 Heterotheca inuloides Species Asteraceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[17314143]
NPO2853 Eschweilera coriacea Species Lecythidaceae Eukaryota UNPD*
NPO11411 Gossypium herbaceum Species Malvaceae Eukaryota TCMID*
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO1736 Stephaniae tetrandrae radix NA NA NA TCMSP*
NPO26561 Micromeria pineolens Species Lamiaceae Eukaryota UNPD*
NPO1920 Podocarpus elongata Species Podocarpaceae Eukaryota UNPD*
NPO20513 Codium fragile Species Codiaceae Eukaryota TCM_Taiwan*
NPO25739 Erysimum odoratum Species Brassicaceae Eukaryota UNPD*
NPO310 Flos mume Species Lycaenidae Eukaryota TCMID*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO29555 Evodiae fructus NA NA NA TCMSP*
NPO26699 Leonurus glaucescens Species Lamiaceae Eukaryota UNPD*
NPO13467 Anarsia lineatella Species Gelechiidae Eukaryota UNPD*
NPO28679 Prunus mume Species Rosaceae Eukaryota TCM_Taiwan*
NPO4671 Persea mexicana Species Lauraceae Eukaryota UNPD*
NPO13080 Gomphrena globosa Species Amaranthaceae Eukaryota TCMID*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota TM-MC*
NPO17506 Semen pharbitidis NA NA NA TCMSP*
NPO26319 Solanum acaule Species Solanaceae Eukaryota UNPD*
NPO26287 Spodoptera eridania Species Noctuidae Eukaryota UNPD*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TCM_Taiwan*
NPO30692 Prunus amygdalus Species Rosaceae Eukaryota TCM_Taiwan*
NPO173 Aconitum sajanense Species Ranunculaceae Eukaryota UNPD*
NPO28541 Fructus arctii lappae NA NA NA TCMID*
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota TM-MC*
NPO29546 Eriobotryae folium NA NA NA TCMSP*
NPO2395 Siphonaria australis Species Siphonariidae Eukaryota UNPD*
NPO25995 Laurencia distichophylla Species Rhodomelaceae Eukaryota UNPD*
NPO30949 Eugenia caryopyhllata Species Myrtaceae Eukaryota TCM_Taiwan*
NPO746 Panax innovans Species Araliaceae Eukaryota UNPD*
NPO1493 Hericium erinaceus Species Hericiaceae Eukaryota TCMID*
NPO10256 Liquidambar orientalis Species Altingiaceae Eukaryota TM-MC*
NPO29597 Perillae fructus NA NA NA TCMSP*
NPO5510 Lepidium draba Species Brassicaceae Eukaryota UNPD*
NPO12357 Lycopus europaeus Species Lamiaceae Eukaryota UNPD*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota TCM_Taiwan*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota UNPD*
NPO23814 Elsholtzia splendens Species Lamiaceae Eukaryota TCMID*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TM-MC*
NPO29707 Benzoinum NA NA NA TCMSP*
NPO26134 Epimedium davidii Species Berberidaceae Eukaryota UNPD*
NPO15735 Galeocerdo arcticus Species Carcharhinidae Eukaryota UNPD*
NPO5665 Ulva pertusa Species Ulvaceae Eukaryota TCM_Taiwan*
NPO26406 Saussurea carthamoides Species Asteraceae Eukaryota UNPD*
NPO6473.1 Perilla frutescens var. acuta Varieties Lamiaceae Eukaryota TCMID*
NPO23429 Lycium barbarum Species Solanaceae Eukaryota TM-MC*
NPO29039 Lignum pini nodi NA NA NA TCMSP*
NPO8622 Stauntonia hexaphylla Species Lardizabalaceae Eukaryota UNPD*
NPO2898 Quercus sessiliflora Species Fagaceae Eukaryota UNPD*
NPO6041 Lithocolletis coryli NA NA NA UNPD*
NPO11889 Dendrobium chrysanthum Species Orchidaceae Eukaryota TCMID*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TM-MC*
NPO29631 Dichroae radix NA NA NA TCMSP*
NPO26900 Vallota purpurea NA NA NA UNPD*
NPO10550 Artemisia hanseniana Species Asteraceae Eukaryota UNPD*
NPO11291 Styrax benzoin Species Styracaceae Eukaryota TCMID*
NPO23256 Mentha arvensis Species Lamiaceae Eukaryota TM-MC*
NPO28423 Apocyniveneti folium NA NA NA TCMSP*
NPO7626 Damnacanthus major Species Rubiaceae Eukaryota UNPD*
NPO26266 Isodon japonicus Species Lamiaceae Eukaryota UNPD*
NPO7016 Gardenia tubifera Species Rubiaceae Eukaryota UNPD*
NPO14736 Camphora NA NA NA TCMID*
NPO13857 Mentha canadensis Species Lamiaceae Eukaryota TM-MC*
NPO4054 Lysimachiae foenigraeci herba NA NA NA TCMSP*
NPO26950 Maba buxifolia Species Ebenaceae Eukaryota UNPD*
NPO5834 Pellicularia sasakii NA NA NA UNPD*
NPO10449 Arctium lappa Species Asteraceae Eukaryota TCMID*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO9121 Mori follum NA NA NA TCMSP*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota UNPD*
NPO2997 Aloe africana Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO8650.3 Perilla frutescens (l.) britt. var. crispa (thunb.) hand.-mazz. Varieties Lamiaceae Eukaryota TCM_Taiwan*
NPO1934 Strychnos triplinervia Species Loganiaceae Eukaryota UNPD*
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota TCMID*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO29728 Kaempferiae rhizoma NA NA NA TCMSP*
NPO577 Lactifluus subvellereus Species Russulaceae Eukaryota UNPD*
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO1771 Rose rugosae flos NA NA NA TCMSP*
NPO26584 Gnidia lamprantha Species Thymelaeaceae Eukaryota UNPD*
NPO14992 Prunus persica Species Rosaceae Eukaryota TCMID*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TM-MC*
NPO29414 Schizonepetae herba NA NA NA TCMSP*
NPO29640 Schizonepetae spica NA NA NA TCMSP*
NPO6072 Andinobates bombetes Species Dendrobatidae Eukaryota UNPD*
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota TM-MC*
NPO29562 Mume flos NA NA NA TCMSP*
NPO26806 Nidula candida Species Nidulariaceae Eukaryota UNPD*
NPO24267 Paeonia veitchii Species Paeoniaceae Eukaryota TCMID*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TM-MC*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO29668 Oroxyli semen NA NA NA TCMSP*
NPO11492 Kopsia grandifolia Species Apocynaceae Eukaryota UNPD*
NPO2837 Aloe spicata Species Asphodelaceae Eukaryota TM-MC*
NPO24198 Radix cynanchi paniculati Species Lymnaeidae Eukaryota TCMSP*
NPO8068 Blumea mollis Species Asteraceae Eukaryota UNPD*
NPO20513 Codium fragile Species Codiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT741 Individual Protein Tyrosinase Homo sapiens IC50 = 820000 nM 14741268
NPT240 Individual Protein Cytochrome P450 2A6 Homo sapiens IC50 = 3920 nM 15658857
NPT1420 Individual Protein Cytochrome P450 2A5 Mus musculus IC50 = 3280 nM 15658857
NPT2 Others Unspecified IC50 = 5900000 nM 17258462
NPT2 Others Unspecified IC50 = 1.70E+11 nM 17258462
NPT32 Organism Mus musculus Mus musculus Activity = 3.45 ug 17512740
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 5623.4 nM PubChem BioAssay data set
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Activity = 2.78 % 22137340
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Activity = 62.16 % 22137340
NPT102 Individual Protein Interleukin-8 Homo sapiens Potency 74978 nM PubChem BioAssay data set
NPT2933 Individual Protein Aldehyde oxidase Oryctolagus cuniculus IC50 = 660000 nM 21476569
NPT2 Others Unspecified IC50 = 260000 nM 21476569
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 177000 nM 21476569
NPT1280 Organism Thrips tabaci Thrips tabaci Ratio = 4 17602496
NPT1281 Organism Thrips obscuratus Thrips obscuratus Ratio = 3.6 17602496
NPT1281 Organism Thrips obscuratus Thrips obscuratus Ratio = 5 17602496
NPT3175 Individual Protein Collagen Meloidogyne javanica Activity = 6 % 23379671
NPT3175 Individual Protein Collagen Meloidogyne javanica Activity = 0 % 23379671
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 > 250 ug/ml 23379671
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC100 > 100 ug/ml 23379671
NPT2 Others Unspecified Potency 1588.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 796.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23710.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24956.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2984.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22441 nM PubChem BioAssay data set
NPT2 Others Unspecified Activity > 128 ug/ml 24499135
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 128 ug/ml 24499135
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC >= 64 ug/ml 24499135
NPT1490 Cell Line Ehrlich Mus musculus Activity = 0.8 ml 592322
NPT1490 Cell Line Ehrlich Mus musculus Inhibition = 69 % 592322
NPT1490 Cell Line Ehrlich Mus musculus Activity = 49 % 592323
NPT1490 Cell Line Ehrlich Mus musculus Activity = 0.8 ml 592323
NPT1490 Cell Line Ehrlich Mus musculus TGI = 69 % 592323
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 3.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4477.6 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 NPC78500 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
0.9333 High Similarity NPC73978
0.9333 High Similarity NPC100039
0.9091 High Similarity NPC197581
0.9091 High Similarity NPC39600
0.9054 High Similarity NPC329318
0.8933 High Similarity NPC76455
0.8933 High Similarity NPC137847
0.8904 High Similarity NPC208075
0.8861 High Similarity NPC252067
0.88 High Similarity NPC245966
0.8767 High Similarity NPC271437
0.8684 High Similarity NPC285470
0.8684 High Similarity NPC36342
0.8684 High Similarity NPC2785
0.863 High Similarity NPC326200
0.8611 High Similarity NPC169222
0.8611 High Similarity NPC235059
0.8611 High Similarity NPC16190
0.8571 High Similarity NPC300205
0.8537 High Similarity NPC153308
0.8462 Intermediate Similarity NPC71664
0.8462 Intermediate Similarity NPC164086
0.8462 Intermediate Similarity NPC190567
0.8434 Intermediate Similarity NPC325709
0.8354 Intermediate Similarity NPC273033
0.8354 Intermediate Similarity NPC145053
0.8354 Intermediate Similarity NPC12936
0.8333 Intermediate Similarity NPC58872
0.8312 Intermediate Similarity NPC298023
0.8293 Intermediate Similarity NPC164526
0.8235 Intermediate Similarity NPC103346
0.8148 Intermediate Similarity NPC149263
0.8148 Intermediate Similarity NPC273758
0.8148 Intermediate Similarity NPC324624
0.8148 Intermediate Similarity NPC215008
0.8026 Intermediate Similarity NPC285679
0.8 Intermediate Similarity NPC157055
0.7895 Intermediate Similarity NPC74458
0.7875 Intermediate Similarity NPC151405
0.7875 Intermediate Similarity NPC139901
0.7867 Intermediate Similarity NPC98880
0.7857 Intermediate Similarity NPC160339
0.7857 Intermediate Similarity NPC307
0.7857 Intermediate Similarity NPC318107
0.7805 Intermediate Similarity NPC230068
0.7778 Intermediate Similarity NPC95868
0.7765 Intermediate Similarity NPC43945
0.7765 Intermediate Similarity NPC69057
0.7763 Intermediate Similarity NPC95289
0.7733 Intermediate Similarity NPC311343
0.7674 Intermediate Similarity NPC473345
0.7674 Intermediate Similarity NPC267262
0.7674 Intermediate Similarity NPC157778
0.7586 Intermediate Similarity NPC418308
0.7586 Intermediate Similarity NPC113307
0.7561 Intermediate Similarity NPC17408
0.7561 Intermediate Similarity NPC285716
0.7527 Intermediate Similarity NPC473325
0.75 Intermediate Similarity NPC19256
0.75 Intermediate Similarity NPC62765
0.75 Intermediate Similarity NPC173413
0.75 Intermediate Similarity NPC277277
0.7447 Intermediate Similarity NPC188895
0.7416 Intermediate Similarity NPC110704
0.7416 Intermediate Similarity NPC133461
0.7416 Intermediate Similarity NPC284475
0.7407 Intermediate Similarity NPC179726
0.7407 Intermediate Similarity NPC9796
0.7391 Intermediate Similarity NPC92754
0.7391 Intermediate Similarity NPC249912
0.7391 Intermediate Similarity NPC276775
0.7363 Intermediate Similarity NPC130398
0.7333 Intermediate Similarity NPC153885
0.7333 Intermediate Similarity NPC1682
0.7333 Intermediate Similarity NPC188844
0.7333 Intermediate Similarity NPC59677
0.7333 Intermediate Similarity NPC155232
0.7326 Intermediate Similarity NPC294134
0.7317 Intermediate Similarity NPC103488
0.7317 Intermediate Similarity NPC176228
0.7312 Intermediate Similarity NPC78701
0.7312 Intermediate Similarity NPC35448
0.7312 Intermediate Similarity NPC225060
0.7294 Intermediate Similarity NPC288903
0.7292 Intermediate Similarity NPC38262
0.7253 Intermediate Similarity NPC291070
0.7253 Intermediate Similarity NPC238219
0.7253 Intermediate Similarity NPC261181
0.7253 Intermediate Similarity NPC289883
0.7253 Intermediate Similarity NPC246757
0.7234 Intermediate Similarity NPC118343
0.7234 Intermediate Similarity NPC146351
0.7229 Intermediate Similarity NPC272260
0.7229 Intermediate Similarity NPC78517
0.7229 Intermediate Similarity NPC167577
0.7216 Intermediate Similarity NPC163734
0.7216 Intermediate Similarity NPC219913
0.7195 Intermediate Similarity NPC3672
0.7195 Intermediate Similarity NPC287790
0.7174 Intermediate Similarity NPC472880
0.7174 Intermediate Similarity NPC260233
0.716 Intermediate Similarity NPC206800
0.716 Intermediate Similarity NPC32203
0.7158 Intermediate Similarity NPC70624
0.7158 Intermediate Similarity NPC42211
0.7143 Intermediate Similarity NPC77273
0.7143 Intermediate Similarity NPC323420
0.7143 Intermediate Similarity NPC127343
0.7143 Intermediate Similarity NPC477703
0.7126 Intermediate Similarity NPC123476
0.7111 Intermediate Similarity NPC110420
0.7111 Intermediate Similarity NPC67585
0.7111 Intermediate Similarity NPC303967
0.7097 Intermediate Similarity NPC61944
0.7097 Intermediate Similarity NPC219573
0.7097 Intermediate Similarity NPC185208
0.7093 Intermediate Similarity NPC285773
0.7071 Intermediate Similarity NPC303264
0.7059 Intermediate Similarity NPC303245
0.7059 Intermediate Similarity NPC89950
0.7053 Intermediate Similarity NPC203925
0.7051 Intermediate Similarity NPC239931
0.7051 Intermediate Similarity NPC82770
0.7051 Intermediate Similarity NPC78954
0.7033 Intermediate Similarity NPC476484
0.7033 Intermediate Similarity NPC125226
0.7021 Intermediate Similarity NPC239185
0.7021 Intermediate Similarity NPC253423
0.7021 Intermediate Similarity NPC240042
0.7021 Intermediate Similarity NPC156021
0.701 Intermediate Similarity NPC60679
0.701 Intermediate Similarity NPC474365
0.701 Intermediate Similarity NPC301943
0.701 Intermediate Similarity NPC89886
0.7 Intermediate Similarity NPC470252
0.7 Intermediate Similarity NPC9822
0.7 Intermediate Similarity NPC155429
0.6979 Remote Similarity NPC112552
0.6966 Remote Similarity NPC194326
0.6947 Remote Similarity NPC229242
0.6947 Remote Similarity NPC134882
0.6947 Remote Similarity NPC49994
0.6947 Remote Similarity NPC75724
0.6944 Remote Similarity NPC149436
0.6944 Remote Similarity NPC277704
0.6939 Remote Similarity NPC249067
0.6932 Remote Similarity NPC95965
0.6915 Remote Similarity NPC12695
0.6905 Remote Similarity NPC50192
0.6897 Remote Similarity NPC127491
0.6897 Remote Similarity NPC44830
0.6897 Remote Similarity NPC243289
0.6897 Remote Similarity NPC308619
0.6897 Remote Similarity NPC324835
0.6897 Remote Similarity NPC208183
0.6889 Remote Similarity NPC477693
0.6889 Remote Similarity NPC477704
0.6875 Remote Similarity NPC217621
0.6875 Remote Similarity NPC228435
0.6875 Remote Similarity NPC325497
0.6869 Remote Similarity NPC269457
0.6867 Remote Similarity NPC175393
0.6863 Remote Similarity NPC167504
0.6849 Remote Similarity NPC269586
0.6849 Remote Similarity NPC198841
0.6842 Remote Similarity NPC270654
0.6842 Remote Similarity NPC289201
0.6842 Remote Similarity NPC265220
0.6818 Remote Similarity NPC44546
0.6813 Remote Similarity NPC231591
0.6804 Remote Similarity NPC476993
0.6804 Remote Similarity NPC109514
0.6804 Remote Similarity NPC472879
0.6804 Remote Similarity NPC282895
0.68 Remote Similarity NPC119271
0.6796 Remote Similarity NPC57879
0.6796 Remote Similarity NPC54626
0.679 Remote Similarity NPC208302
0.6782 Remote Similarity NPC323103
0.6778 Remote Similarity NPC322387
0.6771 Remote Similarity NPC329387
0.6771 Remote Similarity NPC317280
0.6768 Remote Similarity NPC31786
0.6757 Remote Similarity NPC65873
0.6757 Remote Similarity NPC300345
0.6757 Remote Similarity NPC212114
0.6757 Remote Similarity NPC120441
0.6744 Remote Similarity NPC121800
0.6735 Remote Similarity NPC222390
0.6735 Remote Similarity NPC244427
0.6735 Remote Similarity NPC25458
0.6735 Remote Similarity NPC284477
0.6735 Remote Similarity NPC320891
0.6735 Remote Similarity NPC304873
0.6735 Remote Similarity NPC45613
0.6733 Remote Similarity NPC470391
0.6733 Remote Similarity NPC211439
0.6733 Remote Similarity NPC56493
0.6705 Remote Similarity NPC270507
0.6703 Remote Similarity NPC329064

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC78500 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
0.8354 Intermediate Similarity NPD942 Approved
0.7857 Intermediate Similarity NPD9259 Approved
0.7857 Intermediate Similarity NPD9257 Approved
0.7778 Intermediate Similarity NPD1507 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD506 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD650 Approved
0.75 Intermediate Similarity NPD9258 Approved
0.75 Intermediate Similarity NPD9256 Approved
0.7439 Intermediate Similarity NPD9490 Approved
0.7416 Intermediate Similarity NPD7609 Phase 3
0.7333 Intermediate Similarity NPD1508 Approved
0.7333 Intermediate Similarity NPD7631 Approved
0.7317 Intermediate Similarity NPD225 Approved
0.7317 Intermediate Similarity NPD227 Approved
0.7253 Intermediate Similarity NPD1202 Approved
0.7234 Intermediate Similarity NPD1238 Approved
0.7174 Intermediate Similarity NPD9260 Approved
0.716 Intermediate Similarity NPD9716 Approved
0.7097 Intermediate Similarity NPD1843 Approved
0.7093 Intermediate Similarity NPD9491 Approved
0.7059 Intermediate Similarity NPD226 Approved
0.7021 Intermediate Similarity NPD3495 Discontinued
0.7021 Intermediate Similarity NPD1099 Approved
0.7021 Intermediate Similarity NPD1100 Approved
0.6939 Remote Similarity NPD1237 Approved
0.6778 Remote Similarity NPD1087 Approved
0.6768 Remote Similarity NPD164 Approved
0.6739 Remote Similarity NPD3672 Approved
0.6739 Remote Similarity NPD3673 Approved
0.6735 Remote Similarity NPD2193 Phase 2
0.6735 Remote Similarity NPD2648 Phase 3
0.6735 Remote Similarity NPD2171 Approved
0.6735 Remote Similarity NPD813 Approved
0.6735 Remote Similarity NPD1932 Approved
0.6735 Remote Similarity NPD2196 Discontinued
0.6667 Remote Similarity NPD2182 Approved
0.6667 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1930 Approved
0.6667 Remote Similarity NPD1929 Approved
0.6667 Remote Similarity NPD9261 Approved
0.663 Remote Similarity NPD800 Approved
0.66 Remote Similarity NPD2577 Clinical (unspecified phase)
0.6593 Remote Similarity NPD4793 Discontinued
0.6562 Remote Similarity NPD1989 Approved
0.6559 Remote Similarity NPD1089 Approved
0.6559 Remote Similarity NPD1086 Approved
0.6559 Remote Similarity NPD1090 Approved
0.6538 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6538 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6535 Remote Similarity NPD2192 Approved
0.6535 Remote Similarity NPD1677 Discontinued
0.6535 Remote Similarity NPD2197 Approved
0.6531 Remote Similarity NPD2066 Phase 3
0.6526 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6489 Remote Similarity NPD1239 Approved
0.6452 Remote Similarity NPD5347 Phase 2
0.6452 Remote Similarity NPD5346 Phase 2
0.6429 Remote Similarity NPD9495 Approved
0.6421 Remote Similarity NPD1088 Approved
0.6413 Remote Similarity NPD1282 Approved
0.6408 Remote Similarity NPD9264 Approved
0.6408 Remote Similarity NPD9267 Approved
0.6408 Remote Similarity NPD9263 Approved
0.6408 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6395 Remote Similarity NPD9294 Approved
0.6354 Remote Similarity NPD1563 Approved
0.6346 Remote Similarity NPD2329 Discontinued
0.6346 Remote Similarity NPD9266 Approved
0.6346 Remote Similarity NPD74 Approved
0.6346 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6333 Remote Similarity NPD3971 Phase 1
0.6329 Remote Similarity NPD675 Discontinued
0.6316 Remote Similarity NPD1007 Discontinued
0.6289 Remote Similarity NPD4094 Approved
0.6289 Remote Similarity NPD688 Clinical (unspecified phase)
0.6289 Remote Similarity NPD1693 Approved
0.6286 Remote Similarity NPD1317 Discontinued
0.6286 Remote Similarity NPD664 Approved
0.6277 Remote Similarity NPD689 Discontinued
0.625 Remote Similarity NPD173 Clinical (unspecified phase)
0.62 Remote Similarity NPD7798 Approved
0.6196 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6176 Remote Similarity NPD3357 Discontinued
0.6176 Remote Similarity NPD6647 Phase 2
0.6168 Remote Similarity NPD9508 Approved
0.6168 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6162 Remote Similarity NPD1565 Approved
0.6162 Remote Similarity NPD1564 Approved
0.6162 Remote Similarity NPD4657 Approved
0.6162 Remote Similarity NPD1566 Phase 3
0.6162 Remote Similarity NPD4655 Approved
0.6145 Remote Similarity NPD9497 Clinical (unspecified phase)
0.6111 Remote Similarity NPD9250 Approved
0.6111 Remote Similarity NPD5277 Phase 2
0.61 Remote Similarity NPD466 Approved
0.6071 Remote Similarity NPD9545 Approved
0.6061 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6055 Remote Similarity NPD1175 Approved
0.6055 Remote Similarity NPD1241 Discontinued
0.604 Remote Similarity NPD742 Approved
0.6036 Remote Similarity NPD9493 Approved
0.602 Remote Similarity NPD1066 Discontinued
0.6 Remote Similarity NPD853 Approved
0.6 Remote Similarity NPD9566 Approved
0.6 Remote Similarity NPD1074 Approved
0.6 Remote Similarity NPD1075 Approved
0.6 Remote Similarity NPD9281 Approved
0.6 Remote Similarity NPD851 Approved
0.6 Remote Similarity NPD1246 Approved
0.6 Remote Similarity NPD5951 Approved
0.6 Remote Similarity NPD1073 Approved
0.5981 Remote Similarity NPD2067 Discontinued
0.5962 Remote Similarity NPD5909 Discontinued
0.5946 Remote Similarity NPD1025 Discontinued
0.5946 Remote Similarity NPD1323 Discontinued
0.5941 Remote Similarity NPD5926 Approved
0.5941 Remote Similarity NPD253 Approved
0.5922 Remote Similarity NPD6027 Approved
0.5922 Remote Similarity NPD6024 Approved
0.5922 Remote Similarity NPD4803 Discontinued
0.5913 Remote Similarity NPD7457 Clinical (unspecified phase)
0.5893 Remote Similarity NPD405 Clinical (unspecified phase)
0.5882 Remote Similarity NPD3097 Clinical (unspecified phase)
0.5862 Remote Similarity NPD3624 Phase 2
0.5862 Remote Similarity NPD1547 Clinical (unspecified phase)
0.5849 Remote Similarity NPD467 Phase 1
0.5841 Remote Similarity NPD7610 Discontinued
0.5833 Remote Similarity NPD1752 Approved
0.5833 Remote Similarity NPD9494 Approved
0.5833 Remote Similarity NPD4233 Approved
0.5833 Remote Similarity NPD4234 Approved
0.5833 Remote Similarity NPD1756 Approved
0.5833 Remote Similarity NPD3646 Clinical (unspecified phase)
0.5825 Remote Similarity NPD3135 Clinical (unspecified phase)
0.5818 Remote Similarity NPD7094 Approved
0.5818 Remote Similarity NPD6858 Approved
0.5814 Remote Similarity NPD292 Approved
0.5814 Remote Similarity NPD294 Approved
0.5812 Remote Similarity NPD1077 Clinical (unspecified phase)
0.5789 Remote Similarity NPD7009 Phase 2
0.5763 Remote Similarity NPD5158 Clinical (unspecified phase)
0.5763 Remote Similarity NPD5157 Phase 1
0.5763 Remote Similarity NPD5159 Phase 2
0.5755 Remote Similarity NPD1763 Approved
0.5755 Remote Similarity NPD1767 Approved
0.5755 Remote Similarity NPD1766 Approved
0.5755 Remote Similarity NPD1018 Approved
0.5755 Remote Similarity NPD1761 Approved
0.5755 Remote Similarity NPD1765 Approved
0.5755 Remote Similarity NPD5048 Discontinued
0.5747 Remote Similarity NPD9728 Phase 1
0.5739 Remote Similarity NPD1245 Approved
0.5739 Remote Similarity NPD1217 Clinical (unspecified phase)
0.5726 Remote Similarity NPD518 Clinical (unspecified phase)
0.5726 Remote Similarity NPD6287 Discontinued
0.5714 Remote Similarity NPD2634 Clinical (unspecified phase)
0.5714 Remote Similarity NPD690 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5738 Clinical (unspecified phase)
0.5714 Remote Similarity NPD2198 Approved
0.5714 Remote Similarity NPD5765 Approved
0.5714 Remote Similarity NPD2199 Approved
0.5702 Remote Similarity NPD997 Clinical (unspecified phase)
0.5702 Remote Similarity NPD2347 Approved
0.569 Remote Similarity NPD5836 Discontinued
0.569 Remote Similarity NPD4733 Approved
0.569 Remote Similarity NPD1362 Clinical (unspecified phase)
0.569 Remote Similarity NPD1727 Approved
0.569 Remote Similarity NPD1104 Approved
0.569 Remote Similarity NPD7163 Clinical (unspecified phase)
0.569 Remote Similarity NPD2345 Approved
0.569 Remote Similarity NPD9272 Approved
0.569 Remote Similarity NPD3412 Clinical (unspecified phase)
0.5682 Remote Similarity NPD9588 Approved
0.5682 Remote Similarity NPD9589 Approved
0.5682 Remote Similarity NPD9590 Approved
0.5682 Remote Similarity NPD9592 Approved
0.5682 Remote Similarity NPD505 Clinical (unspecified phase)
0.5682 Remote Similarity NPD9593 Approved
0.5682 Remote Similarity NPD9591 Approved
0.5682 Remote Similarity NPD9594 Approved
0.5682 Remote Similarity NPD80 Approved
0.5678 Remote Similarity NPD3972 Approved
0.5676 Remote Similarity NPD2607 Approved
0.567 Remote Similarity NPD531 Approved
0.5667 Remote Similarity NPD552 Approved
0.5667 Remote Similarity NPD553 Approved
0.5667 Remote Similarity NPD9567 Approved
0.5644 Remote Similarity NPD6048 Clinical (unspecified phase)
0.5644 Remote Similarity NPD6049 Phase 2
0.5641 Remote Similarity NPD1124 Approved
0.5641 Remote Similarity NPD4879 Approved
0.5641 Remote Similarity NPD1123 Approved
0.5641 Remote Similarity NPD3836 Clinical (unspecified phase)
0.5641 Remote Similarity NPD1889 Phase 1
0.5641 Remote Similarity NPD1079 Discontinued
0.5625 Remote Similarity NPD7076 Approved
0.5625 Remote Similarity NPD7077 Approved
0.5625 Remote Similarity NPD2650 Approved
0.5625 Remote Similarity NPD2652 Approved
0.562 Remote Similarity NPD6007 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   240
ChEMBL   CHEMBL15972
ZINC  

Physicochemical Properties

Molecular Weight:  106.04
ALogP:  -0.1924
MLogP:  2.12
XLogP:  3.08
# Rotatable Bonds:  1
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  8

Download Data

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