Natural Product: NPC22098

Natural Product ID:  NPC22098
Common Name:   Citronellal
IUPAC Name:   (3R)-3,7-dimethyloct-6-enal
Synonyms:   Citronellal
Molecular Formula:   C10H18O
Standard InCHIKey:  NEHNMFOYXAPHSD-SNVBAGLBSA-N
Standard InCHI:  InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1
Canonical SMILES:  O=CC[C@@H](CCC=C(C)C)C
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
NPO17737 Lepidorhinus squamosus NA NA NA UNPD*
NPO634 Salvia divinorum Species Lamiaceae Eukaryota UNPD*
NPO12233 Diospyros peregrina Species Ebenaceae Eukaryota UNPD*
NPO23364 Lambertella corni Species Rutstroemiaceae Eukaryota UNPD*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TM-MC*
NPO26851 Eupatorium rebaudianum Species Asteraceae Eukaryota UNPD*
NPO15538 Corymbia citriodora Species Myrtaceae Eukaryota TCMID*
NPO10932 Melissa officinalis Species Lamiaceae Eukaryota HerDing*
NPO6956 Citrus limonia Species Rutaceae Eukaryota HerDing*
NPO1794 Ilex affinis Species Aquifoliaceae Eukaryota UNPD*
NPO23696 Solanum diflorum Species Solanaceae Eukaryota UNPD*
NPO24640 Echinops amplexicaulis Species Asteraceae Eukaryota UNPD*
NPO10402 Strophanthus eminii Species Apocynaceae Eukaryota UNPD*
NPO24599 Streptomyces althioticus Species Streptomycetaceae Bacteria UNPD*
NPO27724 Polygala senega Species Polygalaceae Eukaryota UNPD*
NPO19524 Cymbopogon winterianus Species Poaceae Eukaryota TCMID*
NPO11254 Cymbopogon densiflorus Species Poaceae Eukaryota HerDing*
NPO7247 Cymbopogon citratus Species Poaceae Eukaryota HerDing*
NPO7552 Alligator mississippiensis Species Alligatoridae Eukaryota UNPD*
NPO25390 Pterocarpus grandiflorus Species Fabaceae Eukaryota UNPD*
NPO17324 Pluchea dioscoridis Species Asteraceae Eukaryota UNPD*
NPO19787 Citrus sinensis Species Rutaceae Eukaryota TM-MC*
NPO16079 Cephalaria leucantha Species Caprifoliaceae Eukaryota UNPD*
NPO6956 Citrus limonia Species Rutaceae Eukaryota TCMID*
NPO12011 Crataegus pinnatifida Species Rosaceae Eukaryota HerDing*
NPO7762 Crataegus cuneata Species Rosaceae Eukaryota HerDing*
NPO5131 Scorzonera hispanica Species Asteraceae Eukaryota UNPD*
NPO23413 Crematogaster africana Species Formicidae Eukaryota UNPD*
NPO24291 Rhizobium phaseoli Species Rhizobiaceae Bacteria UNPD*
NPO10082 Citrus unshiu Species Rutaceae Eukaryota TM-MC*
NPO7263 Phyllobates aurotaenia Species Dendrobatidae Eukaryota UNPD*
NPO29110 Litsea cubeba Species Lauraceae Eukaryota TCMID*
NPO12011.1 Crataegus pinnatifida var. major Varieties Rosaceae Eukaryota HerDing*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TCM_Taiwan*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota HerDing*
NPO8802 Cymbopogon nardus Species Poaceae Eukaryota HerDing*
NPO4746 Centaurea arenaria Species Asteraceae Eukaryota UNPD*
NPO28549 Mentha incana Species Lamiaceae Eukaryota UNPD*
NPO22595 Trapa bicornis Species Lythraceae Eukaryota UNPD*
NPO13555 Beaucarnea recurvata Species Asparagaceae Eukaryota UNPD*
NPO24830 Prosopis glandulosa Species Fabaceae Eukaryota UNPD*
NPO23656 Typha latifolia Species Typhaceae Eukaryota TCMID*
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota HerDing*
NPO12429 Acicarpha tribuloides Species Calyceraceae Eukaryota UNPD*
NPO11333 Trapa japonica Species Lythraceae Eukaryota UNPD*
NPO25258 Seriphidium cinum Species Asteraceae Eukaryota UNPD*
NPO25415 Pseudopterogorgia kallos Species Gorgoniidae Eukaryota UNPD*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TM-MC*
NPO23963 Odixia angusta Species Asteraceae Eukaryota UNPD*
NPO19584 Pericarpium citri reticulatae NA NA NA TCMID*
NPO15730 Citrus medica Species Rutaceae Eukaryota TCM_Taiwan*
NPO24675 Quercus aegilops Species Fagaceae Eukaryota UNPD*
NPO24090 Aplysilla rosea Species Darwinellidae Eukaryota UNPD*
NPO24556 Bassia butyracea Species Abylidae Eukaryota UNPD*
NPO27903 Delphinium denudatum Species Ranunculaceae Eukaryota UNPD*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota TM-MC*
NPO23459 Onoseris alata Species Asteraceae Eukaryota UNPD*
NPO25369 Levisticum officinale Species Apiaceae Eukaryota TCMID*
NPO11254 Cymbopogon densiflorus Species Poaceae Eukaryota TCMID*
NPO15730 Citrus medica Species Rutaceae Eukaryota HerDing*
NPO2853 Eschweilera coriacea Species Lecythidaceae Eukaryota UNPD*
NPO25045 Senecio squalidus Species Asteraceae Eukaryota UNPD*
NPO24445 Arbacia pustulosa Species Arbaciidae Eukaryota UNPD*
NPO22324 Erium villosum Species Pseudococcidae Eukaryota UNPD*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO24218 Fusarium gibbosum Species Nectriaceae Eukaryota UNPD*
NPO16307 Murraya kwangsiensis Species Rutaceae Eukaryota TCMID*
NPO18681 Artemisia scoparia Species Asteraceae Eukaryota TCM_Taiwan*
NPO27562 Coleus wulfenioides Species Lamiaceae Eukaryota UNPD*
NPO21827 Albatrellus caeruleoporus Species Albatrellaceae Eukaryota UNPD*
NPO6714 Securidaca inappendiculata Species Polygalaceae Eukaryota UNPD*
NPO22455 Corydalis sewerzowi Species Papaveraceae Eukaryota UNPD*
NPO26128 Clonostachys rosea Species Bionectriaceae Eukaryota UNPD*
NPO29110 Litsea cubeba Species Lauraceae Eukaryota TM-MC*
NPO23924 Psilotum nudum Species Psilotaceae Eukaryota UNPD*
NPO23017 Urtica dioica Species Urticaceae Eukaryota TCMID*
NPO19524 Cymbopogon winterianus Species Poaceae Eukaryota HerDing*
NPO25187 Cladonia evansii Species Cladoniaceae Eukaryota UNPD*
NPO20823 Stenostomum lucidum Species Rubiaceae Eukaryota UNPD*
NPO29307 Loranthus longiflorus Species Loranthaceae Eukaryota UNPD*
NPO9765 Petriella guttulata Species Microascaceae Eukaryota UNPD*
NPO23792 Gomphostemma parviflorum Species Lamiaceae Eukaryota UNPD*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO23691 Pyrosoma giganteum Species Pyrosomatidae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMID*
NPO19620 Stemona tuberosa Species Stemonaceae Eukaryota HerDing*
NPO23453 Pheidole pallidula Species Formicidae Eukaryota UNPD*
NPO25326 Dendrosenecio kilimanjari Species Asteraceae Eukaryota UNPD*
NPO9792 Leptospermum flavescens Species Myrtaceae Eukaryota UNPD*
NPO24005 Mytilus galloprovincialis Species Mytilidae Eukaryota UNPD*
NPO11169 Piper cubeba Species Piperaceae Eukaryota TM-MC*
NPO23281 Aplysinella rhax Species Aplysinellidae Eukaryota UNPD*
NPO5480 Mimosa aspera Species Fabaceae Eukaryota UNPD*
NPO7247 Cymbopogon citratus Species Poaceae Eukaryota TCMID*
NPO22309 Gastrodia elata Species Orchidaceae Eukaryota HerDing*
NPO26042 Agnorhiza bolanderi Species Asteraceae Eukaryota UNPD*
NPO13127 Vallaris heynei Species Apocynaceae Eukaryota UNPD*
NPO17284 Bidens andicola Species Asteraceae Eukaryota UNPD*
NPO2236 Pyrola rotundifolia Species Ericaceae Eukaryota UNPD*
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota TM-MC*
NPO18976 Centaurea arbutifolia Species Asteraceae Eukaryota UNPD*
NPO12011 Crataegus pinnatifida Species Rosaceae Eukaryota TCMID*
NPO23017 Urtica dioica Species Urticaceae Eukaryota HerDing*
NPO9361 Aplophyllum villosum NA NA NA UNPD*
NPO24176 Streptomyces fradiae Species Streptomycetaceae Bacteria UNPD*
NPO23043 Cryptolestes pusillus Species Laemophloeidae Eukaryota UNPD*
NPO9919 Jaspis stellifera Species Ancorinidae Eukaryota UNPD*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota TM-MC*
NPO24132 Euphausia superba Species Euphausiidae Eukaryota UNPD*
NPO12011.1 Crataegus pinnatifida var. major Varieties Rosaceae Eukaryota TCMID*
NPO23656 Typha latifolia Species Typhaceae Eukaryota HerDing*
NPO29218 Ramalina farinacea Species Ramalinaceae Eukaryota UNPD*
NPO1920 Podocarpus elongata Species Podocarpaceae Eukaryota UNPD*
NPO25623 Taxodium mucronatum Species Cupressaceae Eukaryota UNPD*
NPO25699 Vitex madiensis Species Lamiaceae Eukaryota UNPD*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TM-MC*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TM-MC*
NPO1326 Cratystylis conocephala Species Asteraceae Eukaryota UNPD*
NPO5665 Ulva pertusa Species Ulvaceae Eukaryota TCMID*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TCM_Taiwan*
NPO23567 Coccus fagi Species Coccidae Eukaryota UNPD*
NPO23920 Amanita pseudoporphyria Species Amanitaceae Eukaryota UNPD*
NPO23499 Carpesium faberi Species Asteraceae Eukaryota UNPD*
NPO22899 Phaeotremella fagi Species Phaeotremellaceae Eukaryota UNPD*
NPO14973 Ircinia felix Species Irciniidae Eukaryota UNPD*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TM-MC*
NPO29144 Ormosia fordiana Species Fabaceae Eukaryota UNPD*
NPO23961 Scytonema ocellatum Species Scytonemataceae Bacteria UNPD*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota HerDing*
NPO11107 Stevia alpina Species Asteraceae Eukaryota UNPD*
NPO26549 Polanisia trachysperma Species Cleomaceae Eukaryota UNPD*
NPO23318 Aconitum palmatum Species Ranunculaceae Eukaryota UNPD*
NPO29659 Myristicae semen NA NA NA TCMSP*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO5782 Aniba rosaeodora Species Lauraceae Eukaryota UNPD*
NPO22309 Gastrodia elata Species Orchidaceae Eukaryota TCMID*
NPO27751 Pinus radiata Species Pinaceae Eukaryota HerDing*
NPO18352 Anaxagorea clavata Species Annonaceae Eukaryota UNPD*
NPO25144 Artemisia monogyna Species Asteraceae Eukaryota UNPD*
NPO28935 Ericameria laricifolia Species Asteraceae Eukaryota UNPD*
NPO12819 Clitocybe subilludens Species Tricholomataceae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMSP*
NPO319 Citrus limon Species Rutaceae Eukaryota TCMID*
NPO11021 Moringa oleifera Species Moringaceae Eukaryota UNPD*
NPO8802 Cymbopogon nardus Species Poaceae Eukaryota TCMID*
NPO28125 Ephedra equisetina Species Ephedraceae Eukaryota HerDing*
NPO6621 Salvadora persica Species Salvadoraceae Eukaryota UNPD*
NPO9989 Cotylelobium scabriusculum Species Dipterocarpaceae Eukaryota UNPD*
NPO23805 Arnica nevadensis Species Asteraceae Eukaryota UNPD*
NPO24511 Dipterocarpus alatus Species Dipterocarpaceae Eukaryota UNPD*
NPO29600 Stemonae radix NA NA NA TCMSP*
NPO15730 Citrus medica Species Rutaceae Eukaryota TCMID*
NPO29411 Streptomyces nigrescens Species Streptomycetaceae Bacteria UNPD*
NPO22194 Kaempferia pulchra Species Zingiberaceae Eukaryota UNPD*
NPO997 Peltodon longipes Species Lamiaceae Eukaryota UNPD*
NPO21963 Hypericum japonicum Species Hypericaceae Eukaryota UNPD*
NPO25291 Lactarius scrobiculatus Species Russulaceae Eukaryota UNPD*
NPO29706 Lilii bulbus NA NA NA TCMSP*
NPO25671 Gardenia fosbergii Species Rubiaceae Eukaryota UNPD*
NPO24929 Aria pallescens Species Rosaceae Eukaryota UNPD*
NPO12367 Diospyros elliptifolia Species Ebenaceae Eukaryota UNPD*
NPO23610 Aconitum tianschanicum Species Ranunculaceae Eukaryota UNPD*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota UNPD*
NPO20637 Piper acutifolium Species Piperaceae Eukaryota UNPD*
NPO12208 Allii fistulost bulbus NA NA NA TCMSP*
NPO14888 Pelargonium x hortorum Species Geraniaceae Eukaryota TCMID*
NPO21258 Sinularia dura Species Alcyoniidae Eukaryota UNPD*
NPO29110 Litsea cubeba Species Lauraceae Eukaryota UNPD*
NPO25636 Bunium paucifolium Species Apiaceae Eukaryota UNPD*
NPO3809 Eucalyptus cladocalyx Species Myrtaceae Eukaryota UNPD*
NPO25529 Bursaria spinosa Species Pittosporaceae Eukaryota UNPD*
NPO8528 Citrus junos Species Rutaceae Eukaryota UNPD*
NPO25825 Saussurea costus Species Asteraceae Eukaryota TM-MC*
NPO19620 Stemona tuberosa Species Stemonaceae Eukaryota TCMID*
NPO13871 Solanum aphyodendron Species Solanaceae Eukaryota UNPD*
NPO7445 Pteris prolifera Species Pteridaceae Eukaryota UNPD*
NPO21625 Bidens tripartita Species Asteraceae Eukaryota UNPD*
NPO24364 Petrosia corticata Species Petrosiidae Eukaryota UNPD*
NPO24408 Ariocarpus fissuratus Species Cactaceae Eukaryota UNPD*
NPO25359 Isodon kameba Species Lamiaceae Eukaryota UNPD*
NPO7317 Citrus aurantium Species Rutaceae Eukaryota TM-MC*
NPO27662 Pericarpium citri reticulatae viride NA NA NA TCMID*
NPO23545 Vellozia streptophylla Species Velloziaceae Eukaryota UNPD*
NPO25471 Chromolaena pulchella Species Asteraceae Eukaryota UNPD*
NPO23834 Chlamydomonas allensworthii Species Chlamydomonadaceae Eukaryota UNPD*
NPO18780 Diplacus aurantiacus Species Phrymaceae Eukaryota UNPD*
NPO24219 Erylus nobilis Species Geodiidae Eukaryota UNPD*
NPO27288 Citrus maxima Species Rutaceae Eukaryota TM-MC*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TCMID*
NPO17193 Picridium crystallinum NA NA NA UNPD*
NPO28665 Sesbania punicea Species Fabaceae Eukaryota UNPD*
NPO29494 Stoeba extensa NA NA NA UNPD*
NPO738 Dahlstedtia pentaphylla Species Fabaceae Eukaryota UNPD*
NPO20833 Beyeria brevifolia Species Euphorbiaceae Eukaryota UNPD*
NPO15730 Citrus medica Species Rutaceae Eukaryota TM-MC*
NPO7762 Crataegus cuneata Species Rosaceae Eukaryota TCMID*
NPO15538 Corymbia citriodora Species Myrtaceae Eukaryota UNPD*
NPO22736 Drosera peltata Species Droseraceae Eukaryota UNPD*
NPO29110 Litsea cubeba Species Lauraceae Eukaryota HerDing*
NPO4311 Asterolasia squamuligera Species Rutaceae Eukaryota UNPD*
NPO24475 Aceriphyllum rossii NA NA NA UNPD*
NPO6386 Gutenbergia cordifolia Species Asteraceae Eukaryota UNPD*
NPO5881 Catharanthus roseus Species Apocynaceae Eukaryota UNPD*
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota TM-MC*
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota TCMID*
NPO22143 Genista sessilifolia Species Fabaceae Eukaryota UNPD*
NPO28959 Cissus quadrangularis Species Vitaceae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota HerDing*
NPO4010 Flemingia philippinensis Species Fabaceae Eukaryota UNPD*
NPO10230 Heynea trijuga Species Meliaceae Eukaryota UNPD*
NPO862 Podocarpus elatus Species Podocarpaceae Eukaryota UNPD*
NPO13042 Diospyros abyssinica Species Ebenaceae Eukaryota UNPD*
NPO27751 Pinus radiata Species Pinaceae Eukaryota TCMID*
NPO27256 Solanum boerhaavii Species Solanaceae Eukaryota UNPD*
NPO20998 Machaerium kuhlmannii Species Dolichopodidae Eukaryota UNPD*
NPO30214 Pericarpium citri NA NA NA HerDing*
NPO24290 Claviceps microcephala Species Clavicipitaceae Eukaryota UNPD*
NPO7870 Zanthoxylum piperitum Species Rutaceae Eukaryota UNPD*
NPO23211 Xyris indica Species Xyridaceae Eukaryota UNPD*
NPO23739 Staehelina fruticosa Species Asteraceae Eukaryota UNPD*
NPO13515 Succinus NA NA NA TCMID*
NPO29377 Callistemon speciosus Species Myrtaceae Eukaryota UNPD*
NPO24383 Ficus formosana Species Moraceae Eukaryota UNPD*
NPO30687 Pelargonium hortorum Species Geraniaceae Eukaryota HerDing*
NPO23884 Hippobroma longiflora Species Campanulaceae Eukaryota UNPD*
NPO24249 Codonopsis cordifolioidea Species Campanulaceae Eukaryota UNPD*
NPO24068 Prunus laurocerasus Species Rosaceae Eukaryota UNPD*
NPO18454 Ligularia hodgsonii Species Asteraceae Eukaryota UNPD*
NPO5386 Citrus x paradisi Species Rutaceae Eukaryota TCMID*
NPO8593 Zygosaccharomyces rouxii Species Saccharomycetaceae Eukaryota UNPD*
NPO24048 Cladonia pityrea Species Cladoniaceae Eukaryota UNPD*
NPO31132 Eucalyptus citriodora Species Myrtaceae Eukaryota HerDing*
NPO9783 Mikania scandens Species Asteraceae Eukaryota UNPD*
NPO5665 Ulva pertusa Species Ulvaceae Eukaryota UNPD*
NPO19535 Senecio zoellneri Species Asteraceae Eukaryota UNPD*
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota UNPD*
NPO1079 Vachellia karroo Species Fabaceae Eukaryota UNPD*
NPO5489 Cinnamomum tenuifolium Species Lauraceae Eukaryota UNPD*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TCMID*
NPO15117 Chromolaena odorata Species Asteraceae Eukaryota UNPD*
NPO7003 Streptomyces violaceochromogenes Species Streptomycetaceae Bacteria UNPD*
NPO319 Citrus limon Species Rutaceae Eukaryota HerDing*
NPO24744 Chloranthus tianmushanensis Species Chloranthaceae Eukaryota UNPD*
NPO27883 Bursera simaruba Species Burseraceae Eukaryota UNPD*
NPO25234 Epaltes gariepina Species Asteraceae Eukaryota UNPD*
NPO8601 Petrosia volcano Species Petrosiidae Eukaryota UNPD*
NPO10932 Melissa officinalis Species Lamiaceae Eukaryota TCMID*
NPO23741 Aspergillus violaceus Species Aspergillaceae Eukaryota UNPD*
NPO24987 Simira eliezeriana Species Rubiaceae Eukaryota UNPD*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota TCM_Taiwan*
NPO16043 Centaurea musimomum Species Asteraceae Eukaryota UNPD*
NPO15073 Cystoseira spinosa Species Sargassaceae Eukaryota UNPD*
NPO9553 Phyllodium pulchellum Species Fabaceae Eukaryota UNPD*
NPO23114 Cacalia robusta Species Asteraceae Eukaryota UNPD*
NPO28125 Ephedra equisetina Species Ephedraceae Eukaryota TCMID*
NPO12591 Archaster typicus Species Archasteridae Eukaryota UNPD*
NPO25090 Araujia sericifera Species Apocynaceae Eukaryota UNPD*
NPO5665 Ulva pertusa Species Ulvaceae Eukaryota HerDing*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition < 30 % 12444669
NPT1418 Individual Protein Anandamide amidohydrolase Homo sapiens Inhibition = -10.65 % 19850474
NPT734 Organism Musca domestica Musca domestica LD50 = 46.8 ug 22461383
NPT735 Individual Protein GABA receptor subunit Musca domestica Activity = 92 % 22461383
NPT350 Organism Tetranychus urticae Tetranychus urticae LC50 = 34.9 microg/cm3 21674753
NPT350 Organism Tetranychus urticae Tetranychus urticae LC50 = 34 microg/cm3 21674753
NPT350 Organism Tetranychus urticae Tetranychus urticae LC50 = 34.8 microg/cm3 21674753
NPT350 Organism Tetranychus urticae Tetranychus urticae LC50 = 33.9 microg/cm3 21674753
NPT1792 Individual Protein Tubulin beta-6 chain Arabidopsis thaliana Activity = 0 um/min 23947826
NPT2 Others Unspecified Inhibition = 30 % 23947826
NPT2 Others Unspecified Inhibition = 40 % 23947826
NPT2 Others Unspecified Activity = 20 % 23947826

  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 NPC22098 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 NPC195246
1.0 High Similarity NPC276009
0.9302 High Similarity NPC106819
0.86 High Similarity NPC95581
0.8261 Intermediate Similarity NPC114841
0.8235 Intermediate Similarity NPC100809
0.8235 Intermediate Similarity NPC209431
0.8077 Intermediate Similarity NPC188789
0.7843 Intermediate Similarity NPC216407
0.78 Intermediate Similarity NPC32351
0.7755 Intermediate Similarity NPC91962
0.7708 Intermediate Similarity NPC239754
0.7647 Intermediate Similarity NPC27438
0.7647 Intermediate Similarity NPC234829
0.7551 Intermediate Similarity NPC44363
0.7551 Intermediate Similarity NPC110234
0.7551 Intermediate Similarity NPC163751
0.75 Intermediate Similarity NPC22182
0.75 Intermediate Similarity NPC170167
0.7391 Intermediate Similarity NPC12319
0.7391 Intermediate Similarity NPC101147
0.7391 Intermediate Similarity NPC18205
0.7358 Intermediate Similarity NPC268564
0.7308 Intermediate Similarity NPC30433
0.7308 Intermediate Similarity NPC244452
0.7255 Intermediate Similarity NPC234597
0.7222 Intermediate Similarity NPC250539
0.7222 Intermediate Similarity NPC202850
0.7222 Intermediate Similarity NPC63396
0.72 Intermediate Similarity NPC4079
0.72 Intermediate Similarity NPC8610
0.72 Intermediate Similarity NPC262558
0.72 Intermediate Similarity NPC14917
0.72 Intermediate Similarity NPC236355
0.7167 Intermediate Similarity NPC268039
0.7115 Intermediate Similarity NPC289388
0.7115 Intermediate Similarity NPC163984
0.7115 Intermediate Similarity NPC176819
0.7115 Intermediate Similarity NPC58970
0.7111 Intermediate Similarity NPC185839
0.7091 Intermediate Similarity NPC275472
0.7059 Intermediate Similarity NPC324812
0.7045 Intermediate Similarity NPC218357
0.7037 Intermediate Similarity NPC474141
0.7037 Intermediate Similarity NPC45283
0.7021 Intermediate Similarity NPC48930
0.7 Intermediate Similarity NPC165651
0.7 Intermediate Similarity NPC24824
0.7 Intermediate Similarity NPC210560
0.6981 Remote Similarity NPC64866
0.6964 Remote Similarity NPC252860
0.6964 Remote Similarity NPC473733
0.6957 Remote Similarity NPC92863
0.6957 Remote Similarity NPC180840
0.6957 Remote Similarity NPC155880
0.6935 Remote Similarity NPC4370
0.6935 Remote Similarity NPC193770
0.6935 Remote Similarity NPC290350
0.6889 Remote Similarity NPC38497
0.6875 Remote Similarity NPC33489
0.6852 Remote Similarity NPC471751
0.6842 Remote Similarity NPC55004
0.6842 Remote Similarity NPC193695
0.6842 Remote Similarity NPC267626
0.6842 Remote Similarity NPC49575
0.6842 Remote Similarity NPC230823
0.6825 Remote Similarity NPC155198
0.6809 Remote Similarity NPC33761
0.68 Remote Similarity NPC25771
0.6739 Remote Similarity NPC254764
0.6735 Remote Similarity NPC208936
0.6735 Remote Similarity NPC298710
0.6735 Remote Similarity NPC67920
0.6735 Remote Similarity NPC287397
0.6727 Remote Similarity NPC37644
0.6724 Remote Similarity NPC266295
0.6724 Remote Similarity NPC30215
0.6724 Remote Similarity NPC94991
0.6724 Remote Similarity NPC311852
0.6721 Remote Similarity NPC52449
0.6721 Remote Similarity NPC169275
0.6719 Remote Similarity NPC61702
0.6719 Remote Similarity NPC261398
0.6719 Remote Similarity NPC162867
0.6667 Remote Similarity NPC20603
0.6667 Remote Similarity NPC48162
0.6667 Remote Similarity NPC166788
0.6613 Remote Similarity NPC183422
0.661 Remote Similarity NPC259261
0.661 Remote Similarity NPC285594
0.661 Remote Similarity NPC96551
0.661 Remote Similarity NPC276764
0.661 Remote Similarity NPC143834
0.661 Remote Similarity NPC472304
0.6604 Remote Similarity NPC145311
0.66 Remote Similarity NPC301972
0.66 Remote Similarity NPC292463
0.6552 Remote Similarity NPC115385
0.6552 Remote Similarity NPC281986
0.6552 Remote Similarity NPC22019
0.6552 Remote Similarity NPC208749
0.6552 Remote Similarity NPC321568
0.6538 Remote Similarity NPC471752
0.6538 Remote Similarity NPC100380
0.6531 Remote Similarity NPC188596
0.6522 Remote Similarity NPC92224
0.6522 Remote Similarity NPC282119
0.6515 Remote Similarity NPC474562
0.6515 Remote Similarity NPC304983
0.65 Remote Similarity NPC127582
0.65 Remote Similarity NPC25853
0.6491 Remote Similarity NPC477984
0.6491 Remote Similarity NPC67367
0.6481 Remote Similarity NPC26960
0.6481 Remote Similarity NPC182102
0.6481 Remote Similarity NPC116906
0.6452 Remote Similarity NPC34883
0.6441 Remote Similarity NPC170799
0.6441 Remote Similarity NPC308108
0.6441 Remote Similarity NPC56905
0.6441 Remote Similarity NPC27610
0.6429 Remote Similarity NPC296311
0.6429 Remote Similarity NPC23117
0.6393 Remote Similarity NPC97322
0.6393 Remote Similarity NPC475795
0.6393 Remote Similarity NPC213152
0.6393 Remote Similarity NPC60565
0.6383 Remote Similarity NPC34764
0.6383 Remote Similarity NPC190810
0.6383 Remote Similarity NPC76145
0.6383 Remote Similarity NPC69245
0.6383 Remote Similarity NPC279300
0.6379 Remote Similarity NPC96663
0.6364 Remote Similarity NPC206088
0.6364 Remote Similarity NPC244038
0.6364 Remote Similarity NPC236623
0.6349 Remote Similarity NPC474304
0.6349 Remote Similarity NPC474329
0.6346 Remote Similarity NPC191337
0.6327 Remote Similarity NPC323278
0.6324 Remote Similarity NPC211641
0.6324 Remote Similarity NPC128346
0.6324 Remote Similarity NPC219232
0.6308 Remote Similarity NPC469679
0.6308 Remote Similarity NPC469688
0.6296 Remote Similarity NPC135698
0.6296 Remote Similarity NPC267110
0.6296 Remote Similarity NPC477789
0.6296 Remote Similarity NPC62755
0.6296 Remote Similarity NPC163345
0.629 Remote Similarity NPC165695
0.629 Remote Similarity NPC202118
0.629 Remote Similarity NPC197238
0.629 Remote Similarity NPC167256
0.6275 Remote Similarity NPC216921
0.625 Remote Similarity NPC151919
0.625 Remote Similarity NPC139717
0.625 Remote Similarity NPC229262
0.625 Remote Similarity NPC297643
0.6232 Remote Similarity NPC472256
0.6222 Remote Similarity NPC213749
0.6212 Remote Similarity NPC477448
0.6212 Remote Similarity NPC477449
0.6212 Remote Similarity NPC296522
0.6212 Remote Similarity NPC469677
0.6212 Remote Similarity NPC144511
0.6207 Remote Similarity NPC200258
0.619 Remote Similarity NPC469662
0.619 Remote Similarity NPC475124
0.619 Remote Similarity NPC234767
0.619 Remote Similarity NPC150162
0.619 Remote Similarity NPC473902
0.619 Remote Similarity NPC6697
0.619 Remote Similarity NPC285371
0.619 Remote Similarity NPC212210
0.6182 Remote Similarity NPC118788
0.6182 Remote Similarity NPC15325
0.6182 Remote Similarity NPC225974
0.6182 Remote Similarity NPC228776
0.617 Remote Similarity NPC75204
0.6167 Remote Similarity NPC329819
0.6154 Remote Similarity NPC472875
0.6154 Remote Similarity NPC12907
0.6154 Remote Similarity NPC477686
0.6143 Remote Similarity NPC472959
0.6143 Remote Similarity NPC469796
0.6143 Remote Similarity NPC469793
0.6143 Remote Similarity NPC19907
0.6143 Remote Similarity NPC215481
0.614 Remote Similarity NPC217188
0.614 Remote Similarity NPC14002
0.6129 Remote Similarity NPC260573
0.6122 Remote Similarity NPC255042
0.6122 Remote Similarity NPC103213
0.6122 Remote Similarity NPC182840
0.6122 Remote Similarity NPC29091
0.6119 Remote Similarity NPC472955
0.6119 Remote Similarity NPC472017
0.6119 Remote Similarity NPC475310
0.6094 Remote Similarity NPC251118

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC22098 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
0.6809 Remote Similarity NPD5783 Phase 3
0.6441 Remote Similarity NPD287 Approved
0.6383 Remote Similarity NPD319 Phase 1
0.6346 Remote Similarity NPD3174 Discontinued
0.6111 Remote Similarity NPD5343 Approved
0.6071 Remote Similarity NPD6927 Phase 3
0.6 Remote Similarity NPD3173 Approved
0.5932 Remote Similarity NPD342 Phase 1
0.5849 Remote Similarity NPD6097 Approved
0.5849 Remote Similarity NPD6096 Approved
0.5821 Remote Similarity NPD3621 Clinical (unspecified phase)
0.5789 Remote Similarity NPD28 Approved
0.5789 Remote Similarity NPD29 Approved
0.5758 Remote Similarity NPD7331 Phase 2
0.5741 Remote Similarity NPD39 Approved
0.5741 Remote Similarity NPD4222 Approved
0.5735 Remote Similarity NPD4137 Phase 3
0.5667 Remote Similarity NPD4627 Clinical (unspecified phase)
0.5652 Remote Similarity NPD4747 Approved
0.5652 Remote Similarity NPD4691 Approved

Structure

External Identifiers

PubChem CID   75427
ChEMBL   CHEMBL1081721
ZINC  

Physicochemical Properties

Molecular Weight:  154.14
ALogP:  2.0432
MLogP:  2.45
XLogP:  3.591
# Rotatable Bonds:  8
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  11

Download Data

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