Natural Product: NPC202189

Natural Product ID:  NPC202189
Common Name:   (+)-Delta-Cadinene
IUPAC Name:   (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
Synonyms:   Alpha-Cadinene
Molecular Formula:   C15H24
Standard InCHIKey:  FUCYIEXQVQJBKY-ZFWWWQNUSA-N
Standard InCHI:  InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1
Canonical SMILES:  CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1
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
NPO25995 Laurencia distichophylla Species Rhodomelaceae Eukaryota UNPD*
NPO914 Smilacis glabrae rhixoma NA NA NA TCMSP*
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota TM-MC*
NPO27957.1 Pinus densiflora var. densiflora Varieties Pinaceae Eukaryota UNPD*
NPO11843 Stephania zippeliana Species Menispermaceae Eukaryota UNPD*
NPO25923 Vismia jefensis Species Hypericaceae Eukaryota UNPD*
NPO10540 Passiflora incarnata Species Passifloraceae Eukaryota UNPD*
NPO23907 Grazielia serrata Species Asteraceae Eukaryota UNPD*
NPO26023 Angelica tarokoensis Species Apiaceae Eukaryota UNPD*
NPO6884 Ailanthi cortex NA NA NA TCMSP*
NPO24644 Hansenia forbesii Species Apiaceae Eukaryota TM-MC*
NPO13209 Strychnos tomentosa Species Loganiaceae Eukaryota UNPD*
NPO3873 Crotalaria candicans Species Fabaceae Eukaryota UNPD*
NPO8413 Echinus auritus Species Echinidae Eukaryota UNPD*
NPO11880 Latua pubiflora Species Solanaceae Eukaryota UNPD*
NPO25739 Erysimum odoratum Species Brassicaceae Eukaryota UNPD*
NPO3200 Arthrophytum leptocladum NA NA NA UNPD*
NPO29588 Ganoderma Genus Ganodermataceae Eukaryota TCMSP*
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota TM-MC*
NPO6731 Ononis spinosa Species Fabaceae Eukaryota UNPD*
NPO14271 Spongia australis Species Spongiidae Eukaryota UNPD*
NPO11190 Veronica polita Species Plantaginaceae Eukaryota UNPD*
NPO26624 Ilex amara Species Aquifoliaceae Eukaryota UNPD*
NPO26211 Knightia excelsa Species Proteaceae Eukaryota UNPD*
NPO29723 Solidaginis herba NA NA NA TCMSP*
NPO2953 Ostericum grosseserratum Species Apiaceae Eukaryota TM-MC*
NPO9283 Trichia favoginea Species Trichiidae Eukaryota UNPD*
NPO5043 Eria japonica Species Orchidaceae Eukaryota UNPD*
NPO2898 Quercus sessiliflora Species Fagaceae Eukaryota UNPD*
NPO210 Uvaria calamistrata Species Annonaceae Eukaryota UNPD*
NPO23029 Tetradenia riparia Species Lamiaceae Eukaryota UNPD*
NPO29657 Zanthoxyli pericarpium NA NA NA TCMSP*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO10219 Juniperus communis Species Cupressaceae Eukaryota HerDing*
NPO15432 Sarcodon aspratus Species Thelephoraceae Eukaryota UNPD*
NPO26052 Swertia delavayi Species Gentianaceae Eukaryota UNPD*
NPO26134 Epimedium davidii Species Berberidaceae Eukaryota UNPD*
NPO26266 Isodon japonicus Species Lamiaceae Eukaryota UNPD*
NPO9454 Piperis fructus NA NA NA TCMSP*
NPO7385 Schisandra sphenanthera Species Schisandraceae Eukaryota TM-MC*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota HerDing*
NPO26507 Galenia africana Species Aizoaceae Eukaryota UNPD*
NPO22505 Bombax ceiba Species Malvaceae Eukaryota UNPD*
NPO731 Panax schinseng Species Araliaceae Eukaryota UNPD*
NPO29654 Lonicerae japonicae flos NA NA NA TCMSP*
NPO13135 Campylotropis hirtella Species Fabaceae Eukaryota UNPD*
NPO16412 Menyanthes trifoliata Species Menyanthaceae Eukaryota HerDing*
NPO15240 Saracha viscosa Species Solanaceae Eukaryota UNPD*
NPO13568 Hypoxylon rubiginosum Species Xylariaceae Eukaryota UNPD*
NPO20157 Boykinia tellimoides Species Saxifragaceae Eukaryota UNPD*
NPO26439 Folium artemisiae argyi NA NA NA TCMSP*
NPO25628 Abrus pulchellus Species Fabaceae Eukaryota TCMID*
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota HerDing*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO21769 Pterocarpus dalbergioides Species Fabaceae Eukaryota UNPD*
NPO14728 Vicia cracca Species Fabaceae Eukaryota UNPD*
NPO10922 Pentaclethra macrophylla Species Fabaceae Eukaryota UNPD*
NPO1736 Stephaniae tetrandrae radix NA NA NA TCMSP*
NPO10219 Juniperus communis Species Cupressaceae Eukaryota TCMID*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TCM_Taiwan*
NPO10638 Plectranthus myrianthus Species Lamiaceae Eukaryota UNPD*
NPO26349 Frullania tamarisci Species Frullaniaceae Eukaryota UNPD*
NPO22691 Mentha cardiaca Species Lamiaceae Eukaryota UNPD*
NPO887 Cayratiae japonicae herba NA NA NA TCMSP*
NPO26589 Artemisia annua Species Asteraceae Eukaryota TCMID*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TCM_Taiwan*
NPO11409 Trichothecium sympodiale Species NA Eukaryota UNPD*
NPO26927 Salacia madagascariensis Species Celastraceae Eukaryota UNPD*
NPO22666 Haematococcus lacustris Species Haematococcaceae Eukaryota UNPD*
NPO29555 Evodiae fructus NA NA NA TCMSP*
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota TCMID*
NPO23911 Alpinia officinarum Species Zingiberaceae Eukaryota HerDing*
NPO15616 Solanum toxicarum Species Solanaceae Eukaryota UNPD*
NPO12205 Eucalyptus apodophylla Species Myrtaceae Eukaryota UNPD*
NPO1815 Breonia chinensis Species Rubiaceae Eukaryota UNPD*
NPO29597 Perillae fructus NA NA NA TCMSP*
NPO23911 Alpinia officinarum Species Zingiberaceae Eukaryota TCMID*
NPO22234 Ficus carica Species Moraceae Eukaryota TCMID*
NPO26335 Carpesium abrotanoides Species Asteraceae Eukaryota HerDing*
NPO26654 Penicillium citreonigrum Species Aspergillaceae Eukaryota UNPD*
NPO14156 Fragaria indica Species Rosaceae Eukaryota UNPD*
NPO25896 Bragantia wallichii NA NA NA UNPD*
NPO21720 Talaromyces variabilis Species Trichocomaceae Eukaryota UNPD*
NPO3041 Rhizome of whiteback greenbrier NA NA NA TCMSP*
NPO27558.1 Podocarpus macrophyllus var. maki Varieties Podocarpaceae Eukaryota TCMID*
NPO26589 Artemisia annua Species Asteraceae Eukaryota TCM_Taiwan*
NPO12091 Martensia denticulata Species Delesseriaceae Eukaryota UNPD*
NPO3860 Allium victorialis Species Amaryllidaceae Eukaryota UNPD*
NPO7998 Senecio paludaffinis Species Asteraceae Eukaryota UNPD*
NPO26699 Leonurus glaucescens Species Lamiaceae Eukaryota UNPD*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TCMSP*
NPO26589 Artemisia annua Species Asteraceae Eukaryota HerDing*
NPO26451 Ophiocoma scolopendrina Species Ophiocomidae Eukaryota UNPD*
NPO11248 Tachigalia paniculata NA NA NA UNPD*
NPO23384 Rhodiola semenovii Species Crassulaceae Eukaryota UNPD*
NPO26607 Colobocentrotus atratus Species Echinidae Eukaryota UNPD*
NPO29538 Curcumae radix NA NA NA TCMSP*
NPO26872 Piper betle Species Piperaceae Eukaryota HerDing*
NPO5189 Glycine tomentella Species Fabaceae Eukaryota UNPD*
NPO7773 Crinum moorei Species Amaryllidaceae Eukaryota UNPD*
NPO12796 Periploca sepium Species Apocynaceae Eukaryota UNPD*
NPO19830 Chamonixia caespitosa Species Boletaceae Eukaryota UNPD*
NPO14121 Panax ginseng Species Araliaceae Eukaryota TCMSP*
NPO27558 Podocarpus macrophyllus Species Podocarpaceae Eukaryota HerDing*
NPO5510 Lepidium draba Species Brassicaceae Eukaryota UNPD*
NPO10605 Tristania conferta Species Myrtaceae Eukaryota UNPD*
NPO5517 Rhododendron tomentosum Species Ericaceae Eukaryota UNPD*
NPO6289 Ceropegia dichotoma Species Apocynaceae Eukaryota UNPD*
NPO29629 Viticis negundo folium Species Curculionidae Eukaryota TCMSP*
NPO27558.1 Podocarpus macrophyllus var. maki Varieties Podocarpaceae Eukaryota HerDing*
NPO23197 Juniperus oxycedrus Species Cupressaceae Eukaryota UNPD*
NPO26950 Maba buxifolia Species Ebenaceae Eukaryota UNPD*
NPO3611 Hippasteria kurilensis Species Goniasteridae Eukaryota UNPD*
NPO11638 Cinnanmomi cortex NA NA NA TCMSP*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO29671 Curcumae rhizoma NA NA NA TCMSP*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota TCM_Taiwan*
NPO294 Cladonia squamosa Species Cladoniaceae Eukaryota UNPD*
NPO12001 Saccharomyces pastori Species Saccharomycetaceae Eukaryota UNPD*
NPO9532 Vernonia cistifolia Species Asteraceae Eukaryota UNPD*
NPO29641 Rhododendri daurici folium NA NA NA TCMSP*
NPO29705 Viticis fructus Species Curculionidae Eukaryota TCMSP*
NPO29549 Siegesbeckiae herba NA NA NA TCMSP*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota HerDing*
NPO14661 Blepharis sindica Species Acanthaceae Eukaryota UNPD*
NPO25870 Vaccinium vitis-idaea Species Ericaceae Eukaryota UNPD*
NPO21902 Thalictrum sachalinense Species Ranunculaceae Eukaryota UNPD*
NPO6212 Myrrha Species Coccinellidae Eukaryota TCMSP*
NPO5603 Eupatorium fortunei turcz Species Asteraceae Eukaryota TCMSP*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TCMID*
NPO14035 Cladosporium tenuissimum Species Cladosporiaceae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCM_Taiwan*
NPO9704 Sonneratia caseolaris Species Lythraceae Eukaryota UNPD*
NPO26319 Solanum acaule Species Solanaceae Eukaryota UNPD*
NPO25792 Delphinium andersoni Species Ranunculaceae Eukaryota UNPD*
NPO5946 Caryophylliflos NA NA NA TCMSP*
NPO1753 Schisandrae chinensis fructus NA NA NA TCMSP*
NPO14484 Echinacea purpurea Species Asteraceae Eukaryota TCMID*
NPO238 Lobelia st Species Campanulaceae Eukaryota UNPD*
NPO30887 Siegesbeckia orientalis Species Asteraceae Eukaryota TCM_Taiwan*
NPO2157 Salvia grandiflora Species Lamiaceae Eukaryota UNPD*
NPO11488 Alstonia muelleriana Species Apocynaceae Eukaryota UNPD*
NPO11971 Laurencia microcladia Species Rhodomelaceae Eukaryota UNPD*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota TCMID*
NPO26900 Vallota purpurea NA NA NA UNPD*
NPO31073 Ligusticum chuanxiong Species Apiaceae Eukaryota TCM_Taiwan*
NPO11098 Stelletta inconspicua Species Ancorinidae Eukaryota UNPD*
NPO4369 Cavernulina grandiflora NA NA NA UNPD*
NPO526 Salvia sessei Species Lamiaceae Eukaryota UNPD*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO26335 Carpesium abrotanoides Species Asteraceae Eukaryota TCMID*
NPO25972 Eupolyphaga sinensis Species Corydiidae Eukaryota UNPD*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TCM_Taiwan*
NPO11642 Dacrydium cupressinum Species Podocarpaceae Eukaryota UNPD*
NPO25949 Streptomyces griseovariabilis Species Streptomycetaceae Bacteria UNPD*
NPO18805 Tripolium pannonicum Species Asteraceae Eukaryota UNPD*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO10608 Exodermis poria NA NA NA TCMID*
NPO1257 Distephanus angulifolius Species Asteraceae Eukaryota UNPD*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TCM_Taiwan*
NPO4485 Lamellodysidea herbacea Species Dysideidae Eukaryota UNPD*
NPO8834 Cellulomonas biazotea Species Cellulomonadaceae Bacteria UNPD*
NPO13434 Acremonium furcatum Species Plectosphaerellaceae Eukaryota UNPD*
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TM-MC*
NPO8952 Craibiodendron yunnanese Species Ericaceae Eukaryota TCMID*
NPO26184 Diphasia angolensis Species Rutaceae Eukaryota UNPD*
NPO26374 Alangium premnifolium Species Cornaceae Eukaryota UNPD*
NPO6239 Corbicula fluminea Species Corbiculidae Eukaryota UNPD*
NPO865 Dendrobium loddigesii Species Orchidaceae Eukaryota UNPD*
NPO26806 Nidula candida Species Nidulariaceae Eukaryota UNPD*
NPO3861 Chromolaena morii Species Asteraceae Eukaryota UNPD*
NPO13289 Frullania brittoniae Species Frullaniaceae Eukaryota UNPD*
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota TM-MC*
NPO27558 Podocarpus macrophyllus Species Podocarpaceae Eukaryota TCMID*
NPO14354 Artemisia cina Species Asteraceae Eukaryota UNPD*
NPO22349 Cucumaria frondosa Species Cucumariidae Eukaryota UNPD*
NPO5456 Juniperus drupacea Species Cupressaceae Eukaryota UNPD*
NPO26834 Eutypella scoparia Species Diatrypaceae Eukaryota UNPD*
NPO7822.1 Eucalyptus globulus subsp. bicostata Subspecies Myrtaceae Eukaryota UNPD*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TM-MC*
NPO26872 Piper betle Species Piperaceae Eukaryota TCMID*
NPO11576 Glycosmis macrophylla Species Rutaceae Eukaryota UNPD*
NPO7447 Nemalion vermiculare Species Liagoraceae Eukaryota UNPD*
NPO21854 Pterocladiella tenuis Species Gelidiaceae Eukaryota UNPD*
NPO19635 Coreopsis nodosa Species Asteraceae Eukaryota UNPD*
NPO6101 Mucuna prurita Species Fabaceae Eukaryota UNPD*
NPO646 Moslae herba NA NA NA TCMSP*
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota TM-MC*
NPO10256 Liquidambar orientalis Species Altingiaceae Eukaryota TCMID*
NPO26287 Spodoptera eridania Species Noctuidae Eukaryota UNPD*
NPO19071 Alliaria petiolata Species Brassicaceae Eukaryota UNPD*
NPO12565 Hypericum polyanthemum Species Hypericaceae Eukaryota UNPD*
NPO26584 Gnidia lamprantha Species Thymelaeaceae Eukaryota UNPD*
NPO26406 Saussurea carthamoides Species Asteraceae Eukaryota UNPD*
NPO29679 Lycii fructus NA NA NA TCMSP*
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota TM-MC*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TCMID*
NPO26161 Globba malaccensis Species Zingiberaceae Eukaryota UNPD*
NPO14255 Streptomyces flocculus Species Streptomycetaceae Bacteria UNPD*
NPO25769 Heterotheca inuloides Species Asteraceae Eukaryota UNPD*
NPO14752 Sinopodophyllum emodi Species Berberidaceae Eukaryota UNPD*
NPO29628 Rubi fructus NA NA NA TCMSP*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO16412 Menyanthes trifoliata Species Menyanthaceae Eukaryota TCMID*
NPO13166 Nicotiana undulata Species Solanaceae Eukaryota UNPD*
NPO12684 Trigonella grandiflora Species Fabaceae Eukaryota UNPD*
NPO26561 Micromeria pineolens Species Lamiaceae Eukaryota UNPD*
NPO890 Remijia pedunculata Species Rubiaceae Eukaryota UNPD*
NPO10766 Alpiniae officinarum rhizome NA NA NA TCMSP*
NPO18932 Melia azedarach Species Meliaceae Eukaryota TM-MC*
NPO9319 Pterocaulon virgatum Species Asteraceae Eukaryota UNPD*
NPO15150 Phebalium gracile Species Rutaceae Eukaryota UNPD*
NPO12622 Rudbeckia hirta Species Asteraceae Eukaryota UNPD*
NPO8934 Gypsophila perfoliata Species Caryophyllaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MIC = 3.13 ug/ml 8158169
NPT563 Organism Escherichia coli O157:H7 Escherichia coli O157:H7 GI = 9.5 % 14969531
NPT16 Organism Staphylococcus aureus Staphylococcus aureus GI = 26.3 % 14969531
NPT564 Organism Listeria monocytogenes Listeria monocytogenes GI = 15.7 % 14969531
NPT565 Organism Vibrio parahaemolyticus Vibrio parahaemolyticus GI = 32.5 % 14969531
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium GI = 4.3 % 14969531
NPT314 Organism Bacillus cereus Bacillus cereus GI = 20.3 % 14969531

  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 NPC202189 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
0.8864 High Similarity NPC86683
0.8696 High Similarity NPC17518
0.8537 High Similarity NPC229262
0.8537 High Similarity NPC297643
0.8537 High Similarity NPC139717
0.8444 Intermediate Similarity NPC296337
0.8444 Intermediate Similarity NPC241784
0.8444 Intermediate Similarity NPC114239
0.8444 Intermediate Similarity NPC13991
0.8409 Intermediate Similarity NPC192529
0.8298 Intermediate Similarity NPC22765
0.8293 Intermediate Similarity NPC34764
0.8293 Intermediate Similarity NPC190810
0.8293 Intermediate Similarity NPC76145
0.8222 Intermediate Similarity NPC248411
0.8182 Intermediate Similarity NPC177470
0.8163 Intermediate Similarity NPC473728
0.8085 Intermediate Similarity NPC124851
0.7955 Intermediate Similarity NPC144023
0.7778 Intermediate Similarity NPC193180
0.7778 Intermediate Similarity NPC190232
0.7778 Intermediate Similarity NPC105246
0.7755 Intermediate Similarity NPC200129
0.7727 Intermediate Similarity NPC183670
0.7692 Intermediate Similarity NPC123194
0.7692 Intermediate Similarity NPC469770
0.7674 Intermediate Similarity NPC239039
0.7593 Intermediate Similarity NPC469769
0.7556 Intermediate Similarity NPC103290
0.7551 Intermediate Similarity NPC17810
0.7407 Intermediate Similarity NPC474415
0.7407 Intermediate Similarity NPC475696
0.7407 Intermediate Similarity NPC470370
0.7407 Intermediate Similarity NPC470369
0.7407 Intermediate Similarity NPC474528
0.7391 Intermediate Similarity NPC473912
0.7358 Intermediate Similarity NPC470893
0.7317 Intermediate Similarity NPC213749
0.7273 Intermediate Similarity NPC48638
0.7273 Intermediate Similarity NPC45727
0.7234 Intermediate Similarity NPC60556
0.7234 Intermediate Similarity NPC86538
0.7234 Intermediate Similarity NPC109813
0.7209 Intermediate Similarity NPC92224
0.7174 Intermediate Similarity NPC218918
0.7174 Intermediate Similarity NPC120926
0.7143 Intermediate Similarity NPC474455
0.7143 Intermediate Similarity NPC474454
0.7143 Intermediate Similarity NPC475716
0.7143 Intermediate Similarity NPC472304
0.7143 Intermediate Similarity NPC276764
0.7143 Intermediate Similarity NPC474420
0.7115 Intermediate Similarity NPC306195
0.7115 Intermediate Similarity NPC157781
0.7115 Intermediate Similarity NPC181255
0.7115 Intermediate Similarity NPC179169
0.7115 Intermediate Similarity NPC35519
0.7091 Intermediate Similarity NPC474457
0.7073 Intermediate Similarity NPC3649
0.6957 Remote Similarity NPC227632
0.6957 Remote Similarity NPC62086
0.6957 Remote Similarity NPC78551
0.6939 Remote Similarity NPC49088
0.6923 Remote Similarity NPC214584
0.6923 Remote Similarity NPC26906
0.6897 Remote Similarity NPC282694
0.6897 Remote Similarity NPC469728
0.6897 Remote Similarity NPC194208
0.6897 Remote Similarity NPC79576
0.6889 Remote Similarity NPC266298
0.6852 Remote Similarity NPC5626
0.6818 Remote Similarity NPC282119
0.68 Remote Similarity NPC323445
0.6792 Remote Similarity NPC177112
0.6792 Remote Similarity NPC71506
0.678 Remote Similarity NPC145715
0.678 Remote Similarity NPC174956
0.6724 Remote Similarity NPC127582
0.6724 Remote Similarity NPC317778
0.6724 Remote Similarity NPC311809
0.6667 Remote Similarity NPC473959
0.6667 Remote Similarity NPC285371
0.6667 Remote Similarity NPC268564
0.6667 Remote Similarity NPC23117
0.6667 Remote Similarity NPC206088
0.6667 Remote Similarity NPC60772
0.6667 Remote Similarity NPC14002
0.6667 Remote Similarity NPC475124
0.6667 Remote Similarity NPC469662
0.6613 Remote Similarity NPC193770
0.6604 Remote Similarity NPC244038
0.6557 Remote Similarity NPC251118
0.6557 Remote Similarity NPC163678
0.6531 Remote Similarity NPC227670
0.6531 Remote Similarity NPC141777
0.6531 Remote Similarity NPC166362
0.6508 Remote Similarity NPC310992
0.6508 Remote Similarity NPC216460
0.6508 Remote Similarity NPC260474
0.6508 Remote Similarity NPC188292
0.6508 Remote Similarity NPC87141
0.65 Remote Similarity NPC197238
0.65 Remote Similarity NPC474086
0.65 Remote Similarity NPC202118
0.65 Remote Similarity NPC288253
0.6491 Remote Similarity NPC11130
0.6452 Remote Similarity NPC279434
0.6452 Remote Similarity NPC242945
0.6452 Remote Similarity NPC176171
0.6452 Remote Similarity NPC92327
0.6452 Remote Similarity NPC476039
0.6452 Remote Similarity NPC259156
0.6452 Remote Similarity NPC222366
0.6452 Remote Similarity NPC202017
0.6452 Remote Similarity NPC286669
0.6441 Remote Similarity NPC176621
0.6441 Remote Similarity NPC135648
0.6415 Remote Similarity NPC476681
0.6406 Remote Similarity NPC256846
0.6393 Remote Similarity NPC6697
0.6379 Remote Similarity NPC170799
0.6379 Remote Similarity NPC308108
0.6379 Remote Similarity NPC56905
0.6379 Remote Similarity NPC27610
0.6364 Remote Similarity NPC476679
0.6364 Remote Similarity NPC474416
0.6364 Remote Similarity NPC127944
0.6349 Remote Similarity NPC176107
0.6349 Remote Similarity NPC4370
0.6349 Remote Similarity NPC197805
0.6349 Remote Similarity NPC171225
0.6349 Remote Similarity NPC290350
0.6346 Remote Similarity NPC91962
0.6346 Remote Similarity NPC178644
0.6333 Remote Similarity NPC219621
0.6333 Remote Similarity NPC60565
0.6333 Remote Similarity NPC213152
0.6316 Remote Similarity NPC141699
0.6316 Remote Similarity NPC179024
0.6296 Remote Similarity NPC27438
0.6279 Remote Similarity NPC471327
0.6279 Remote Similarity NPC100879
0.6275 Remote Similarity NPC229403
0.6271 Remote Similarity NPC472827
0.6271 Remote Similarity NPC309825
0.625 Remote Similarity NPC39157
0.625 Remote Similarity NPC82477
0.625 Remote Similarity NPC20610
0.625 Remote Similarity NPC296697
0.625 Remote Similarity NPC208999
0.625 Remote Similarity NPC476945
0.625 Remote Similarity NPC142754
0.625 Remote Similarity NPC246165
0.623 Remote Similarity NPC283247
0.623 Remote Similarity NPC81615
0.6226 Remote Similarity NPC106990
0.6207 Remote Similarity NPC165808
0.619 Remote Similarity NPC323005
0.619 Remote Similarity NPC255781
0.6182 Remote Similarity NPC294358
0.6182 Remote Similarity NPC40417
0.6154 Remote Similarity NPC182815
0.6154 Remote Similarity NPC184919
0.6154 Remote Similarity NPC473893
0.6154 Remote Similarity NPC286814
0.6154 Remote Similarity NPC139397
0.6154 Remote Similarity NPC471560
0.6154 Remote Similarity NPC138409
0.6154 Remote Similarity NPC474248
0.614 Remote Similarity NPC200258
0.6129 Remote Similarity NPC52449
0.6129 Remote Similarity NPC290367
0.6129 Remote Similarity NPC169275
0.6129 Remote Similarity NPC107540
0.6129 Remote Similarity NPC212210
0.6122 Remote Similarity NPC473614
0.6119 Remote Similarity NPC470044
0.6119 Remote Similarity NPC470045
0.6111 Remote Similarity NPC32351
0.6111 Remote Similarity NPC58970
0.6111 Remote Similarity NPC329773
0.6111 Remote Similarity NPC182102
0.6111 Remote Similarity NPC26960
0.6111 Remote Similarity NPC176819
0.6111 Remote Similarity NPC163984
0.6102 Remote Similarity NPC311852
0.6094 Remote Similarity NPC220210
0.6094 Remote Similarity NPC114651
0.6094 Remote Similarity NPC20181
0.6071 Remote Similarity NPC295777
0.6071 Remote Similarity NPC69898
0.6061 Remote Similarity NPC475728
0.6061 Remote Similarity NPC92801
0.6061 Remote Similarity NPC251929
0.6061 Remote Similarity NPC34834
0.6061 Remote Similarity NPC35734
0.6061 Remote Similarity NPC260040
0.6061 Remote Similarity NPC282593
0.6061 Remote Similarity NPC307176
0.6061 Remote Similarity NPC265782

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC202189 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
0.8293 Intermediate Similarity NPD319 Phase 1
0.7778 Intermediate Similarity NPD1799 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD8262 Approved
0.6379 Remote Similarity NPD287 Approved
0.625 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6154 Remote Similarity NPD4137 Phase 3
0.6061 Remote Similarity NPD6939 Phase 2
0.6061 Remote Similarity NPD6938 Clinical (unspecified phase)
0.6061 Remote Similarity NPD4691 Approved
0.6061 Remote Similarity NPD4747 Approved
0.6034 Remote Similarity NPD4219 Approved
0.6029 Remote Similarity NPD4687 Approved
0.6029 Remote Similarity NPD5733 Approved
0.597 Remote Similarity NPD4243 Approved
0.597 Remote Similarity NPD5276 Approved
0.5862 Remote Similarity NPD342 Phase 1
0.5806 Remote Similarity NPD368 Approved
0.5797 Remote Similarity NPD4784 Approved
0.5797 Remote Similarity NPD4785 Approved
0.5797 Remote Similarity NPD4058 Approved
0.5714 Remote Similarity NPD5275 Approved
0.5714 Remote Similarity NPD7339 Approved
0.5714 Remote Similarity NPD4190 Phase 3
0.5714 Remote Similarity NPD6942 Approved
0.5714 Remote Similarity NPD8264 Approved
0.5634 Remote Similarity NPD3701 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   441005
ChEMBL   CHEMBL445759
ZINC  

Physicochemical Properties

Molecular Weight:  204.19
ALogP:  2.2115
MLogP:  3.11
XLogP:  5.46
# Rotatable Bonds:  5
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  15

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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