Natural Product: NPC13789

Natural Product ID:  NPC13789
Common Name:   (-)-Caryophyllene Oxide
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H24O
Standard InCHIKey:  NVEQFIOZRFFVFW-RGCMKSIDSA-N
Standard InCHI:  InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1
Canonical SMILES:  C=C1CC[C@H]2O[C@@]2(CC[C@@H]2[C@@H]1CC2(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
NPO18002 Ipomoea obscura Species Convolvulaceae Eukaryota UNPD*
NPO10639 Olibanun NA NA NA TCMSP*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO23548 Leonurus japonicus Species Lamiaceae Eukaryota TM-MC*
NPO19672 Hosta sieboldiana Species Asparagaceae Eukaryota UNPD*
NPO9394 Herba artemisiae scopariae NA NA NA TCMID*
NPO26285 Xestospongia bergquistia Species Petrosiidae Eukaryota UNPD*
NPO6783 Avrainvillea rawsonii Species Udoteaceae Eukaryota UNPD*
NPO21819 Domohinea perrieri Species Euphorbiaceae Eukaryota UNPD*
NPO8583 Angelica japonica Species Apiaceae Eukaryota UNPD*
NPO25653 Spatholobus suberectus Species Fabaceae Eukaryota TCMSP*
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota TM-MC*
NPO208 Tersonia brevipes Species Gyrostemonaceae Eukaryota UNPD*
NPO2395 Siphonaria australis Species Siphonariidae Eukaryota UNPD*
NPO10021 Nerium oleander Species Apocynaceae Eukaryota TCMID*
NPO24918 Jacobaea cannabifolia Species Asteraceae Eukaryota UNPD*
NPO24028 Cissus adnata Species Vitaceae Eukaryota UNPD*
NPO26789 Tephrosia bidwilli Species Geometridae Eukaryota UNPD*
NPO22180 Dracaena mannii Species Asparagaceae Eukaryota UNPD*
NPO29575 Ardisiae japonicae herba NA NA NA TCMSP*
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota TM-MC*
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota TM-MC*
NPO21076 Nephthea armata Species Nephtheidae Eukaryota UNPD*
NPO16019.1 Isodon japonica var. glaucocalyx Varieties Lamiaceae Eukaryota TCMID*
NPO3482 Alpinia flabellata Species Zingiberaceae Eukaryota UNPD*
NPO15735 Galeocerdo arcticus Species Carcharhinidae Eukaryota UNPD*
NPO5386 Citrus x paradisi Species Rutaceae Eukaryota UNPD*
NPO3827 Violsse herba NA NA NA TCMSP*
NPO7317 Citrus aurantium Species Rutaceae Eukaryota TM-MC*
NPO29110 Litsea cubeba Species Lauraceae Eukaryota TM-MC*
NPO13033 Helichrysum setosum Species Asteraceae Eukaryota UNPD*
NPO17336 Benincasa hispida Species Cucurbitaceae Eukaryota UNPD*
NPO22264 Inula salsoloides Species Asteraceae Eukaryota UNPD*
NPO10905 Baccharis truncata Species Asteraceae Eukaryota UNPD*
NPO18586 Tamarix ramosissima Species Tamaricaceae Eukaryota UNPD*
NPO14201 Riccia fluitans Species Ricciaceae Eukaryota UNPD*
NPO7009 Callyspongia spinosissima Species Callyspongiidae Eukaryota UNPD*
NPO29690 Leonuri herba NA NA NA TCMSP*
NPO27288 Citrus maxima Species Rutaceae Eukaryota TM-MC*
NPO14650 Lobelia chinensis Species Campanulaceae Eukaryota TM-MC*
NPO8 Buphthalmum salicifolium Species Asteraceae Eukaryota UNPD*
NPO1934 Strychnos triplinervia Species Loganiaceae Eukaryota UNPD*
NPO577 Lactifluus subvellereus Species Russulaceae Eukaryota UNPD*
NPO27540 Actinoplanes ianthinogenes Species Micromonosporaceae Bacteria UNPD*
NPO19330 Cephalaria procera Species Caprifoliaceae Eukaryota UNPD*
NPO4504 Cassia jahnii Species Fabaceae Eukaryota UNPD*
NPO13736 Cnidii fructus NA NA NA TCMSP*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TM-MC*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TM-MC*
NPO10048 Pyrus bourgaeana Species Rosaceae Eukaryota UNPD*
NPO14455 Triunia erythrocarpa Species Proteaceae Eukaryota UNPD*
NPO26160 Thielavia terricola Species Chaetomiaceae Eukaryota UNPD*
NPO2830 Bassia longifolia Species Abylidae Eukaryota UNPD*
NPO29640 Schizonepetae spica NA NA NA TCMSP*
NPO10082 Citrus unshiu Species Rutaceae Eukaryota TM-MC*
NPO11791 Magnolia obovata Species Magnoliaceae Eukaryota TM-MC*
NPO28636 Vernonia lilacina Species Asteraceae Eukaryota UNPD*
NPO8622 Stauntonia hexaphylla Species Lardizabalaceae Eukaryota UNPD*
NPO10950 Usnea magellanica Species Parmeliaceae Eukaryota UNPD*
NPO26992 Sophora leachiana Species Fabaceae Eukaryota UNPD*
NPO29671 Curcumae rhizoma NA NA NA TCMSP*
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota TM-MC*
NPO4368 Magnolia officinalis Species Magnoliaceae Eukaryota TM-MC*
NPO12409 Artemisia jacutica Species Asteraceae Eukaryota UNPD*
NPO29099 Sinocrassula indica Species Crassulaceae Eukaryota UNPD*
NPO14585 Iris xiphium Species Iridaceae Eukaryota UNPD*
NPO2680 Holothuria squamifera Species Holothuriidae Eukaryota UNPD*
NPO1032 Piper attenuatum Species Piperaceae Eukaryota UNPD*
NPO27105 Borneolum syntheticum NA NA NA TCMSP*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TM-MC*
NPO18932 Melia azedarach Species Meliaceae Eukaryota TM-MC*
NPO15299 Sandoricum koetjape Species Meliaceae Eukaryota UNPD*
NPO2568 Posidonia oceanica Species Posidoniaceae Eukaryota UNPD*
NPO22125 Helipterum propinquum Species Asteraceae Eukaryota UNPD*
NPO25122 Conium maculatum Species Apiaceae Eukaryota UNPD*
NPO25682 Acorus calamus Species Acoraceae Eukaryota TM-MC*
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota TM-MC*
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota TM-MC*
NPO15759 Boehmeria japonica Species Urticaceae Eukaryota UNPD*
NPO27766 Urospermum picroides Species Asteraceae Eukaryota UNPD*
NPO3676 Fusarium sambucinum Species Nectriaceae Eukaryota UNPD*
NPO8721 Parectatosoma mocquerysi Species Anisacanthidae Eukaryota UNPD*
NPO26351 Agastache rugosa Species Lamiaceae Eukaryota TM-MC*
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota TM-MC*
NPO23256 Mentha arvensis Species Lamiaceae Eukaryota TM-MC*
NPO13857 Mentha canadensis Species Lamiaceae Eukaryota TM-MC*
NPO9538 Pterocarpus erinaceus Species Fabaceae Eukaryota UNPD*
NPO19432 Millettia pinnata Species Fabaceae Eukaryota UNPD*
NPO2616 Piptocarpha chontalensis Species Asteraceae Eukaryota UNPD*
NPO18681 Artemisia scoparia Species Asteraceae Eukaryota TCM_Taiwan*
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota TM-MC*
NPO7929 Curcuma zedoaria Species Zingiberaceae Eukaryota TM-MC*
NPO4460 Vincetoxicum glaucescens Species Apocynaceae Eukaryota TM-MC*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO25201 Aglaia pyramidata Species Meliaceae Eukaryota UNPD*
NPO11729 Eugenia exsucca Species Myrtaceae Eukaryota UNPD*
NPO18877 Asplenium ruprechtii Species Aspleniaceae Eukaryota UNPD*
NPO18026 Bipolaris sacchari Species Pleosporaceae Eukaryota UNPD*
NPO14027 Dacryodes normandii Species Burseraceae Eukaryota UNPD*
NPO30296 Ables balsamea NA NA NA TCM_Taiwan*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TM-MC*
NPO2761 Cynanchum stauntoni Species Apocynaceae Eukaryota TM-MC*
NPO12182 Murraya exotica Species Rutaceae Eukaryota TM-MC*
NPO14329 Sigillina signifera Species Polycitoridae Eukaryota UNPD*
NPO5834 Pellicularia sasakii NA NA NA UNPD*
NPO4578 Cystoseira fimbriata Species Sargassaceae Eukaryota UNPD*
NPO17813 Pittosporum undulatum Species Pittosporaceae Eukaryota UNPD*
NPO31410 Cupania cinerea Species Sapindaceae Eukaryota bark PMID[21438586]
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota TM-MC*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota TM-MC*
NPO6811 Lecanora rupicola Species Lecanoraceae Eukaryota UNPD*
NPO16697 Solanum linearifolium Species Solanaceae Eukaryota UNPD*
NPO1456 Bersama abyssinica Species Melianthaceae Eukaryota UNPD*
NPO15190 Chloranthus fortunei Species Chloranthaceae Eukaryota UNPD*
NPO173 Aconitum sajanense Species Ranunculaceae Eukaryota UNPD*
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota TM-MC*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TM-MC*
NPO24547 Xanthoria parietina Species Teloschistaceae Eukaryota UNPD*
NPO26409 Plakortis simplex Species Plakinidae Eukaryota UNPD*
NPO22064 Mannia fragrans Species Aytoniaceae Eukaryota UNPD*
NPO13465 Salvia broussonetii Species Lamiaceae Eukaryota UNPD*
NPO9632 Annona reticulata Species Annonaceae Eukaryota UNPD*
NPO12265 Aquilaria agallochum Species Thymelaeaceae Eukaryota TM-MC*
NPO11169 Piper cubeba Species Piperaceae Eukaryota TM-MC*
NPO13745 Gynoxys verrucosa Species Asteraceae Eukaryota UNPD*
NPO27148 Chuquiraga erinacea Species Asteraceae Eukaryota UNPD*
NPO6388 Mulguraea tridens Species Verbenaceae Eukaryota UNPD*
NPO20571 Limnodynastes interioris Species Myobatrachidae Eukaryota UNPD*
NPO15405 Suaeda maritima Species Chenopodiaceae Eukaryota UNPD*
NPO14558 Aquilaria sinensis Species Thymelaeaceae Eukaryota TM-MC*
NPO28928 Piper nigrum Species Piperaceae Eukaryota TM-MC*
NPO10532 Pinus edulis Species Pinaceae Eukaryota UNPD*
NPO5058 Synoicum macroglossum Species Polyclinidae Eukaryota UNPD*
NPO25259 Schrebera swietenoides Species Oleaceae Eukaryota UNPD*
NPO11592 Cuphea hyssopifolia Species Lythraceae Eukaryota UNPD*
NPO13617 Eria rigida Species Orchidaceae Eukaryota UNPD*
NPO11421 Arnebia euchroma Species Boraginaceae Eukaryota TM-MC*
NPO20297 Arnebia guttata Species Boraginaceae Eukaryota TM-MC*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TM-MC*
NPO29112 Streptomyces luteosporeus Species Streptomycetaceae Bacteria UNPD*
NPO11246 Ononis viscosa Species Fabaceae Eukaryota UNPD*
NPO27204 Garcinia hermonii Species Clusiaceae Eukaryota UNPD*
NPO27380 Epigaea asiatica Species Ericaceae Eukaryota UNPD*
NPO5998 Echinoclathria subhispida Species Microcionidae Eukaryota UNPD*
NPO27587 Flemingia paniculata Species Fabaceae Eukaryota UNPD*
NPO26589 Artemisia annua Species Asteraceae Eukaryota TM-MC*
NPO8789 Schizonepeta tenuifolia Species Lamiaceae Eukaryota TM-MC*
NPO11791 Magnolia obovata Species Magnoliaceae Eukaryota UNPD*
NPO7844 Fritillaria hupehensis Species Liliaceae Eukaryota UNPD*
NPO27682 Pseudoplexaura wagenaari Species Plexauridae Eukaryota UNPD*
NPO16459 Lasthenia glabrata Species Asteraceae Eukaryota UNPD*
NPO25714 Solanum spirale Species Solanaceae Eukaryota UNPD*
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota TM-MC*
NPO10366 Vincetoxicum stauntonii Species Apocynaceae Eukaryota TM-MC*
NPO6072 Andinobates bombetes Species Dendrobatidae Eukaryota UNPD*
NPO1880 Schizonepeta tenuisfolia Species Lamiaceae Eukaryota TM-MC*
NPO13353 Sedum sarmentosum Species Crassulaceae Eukaryota UNPD*
NPO3005 Passiflora morifolia Species Passifloraceae Eukaryota UNPD*
NPO18284 Cytisus ciliatus Species Fabaceae Eukaryota UNPD*
NPO22890 Eutrochium purpureum Species Asteraceae Eukaryota UNPD*
NPO22007 Acer spicatum Species Sapindaceae Eukaryota UNPD*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO22796 Cyperus rotundus Species Cyperaceae Eukaryota TM-MC*
NPO6041 Lithocolletis coryli NA NA NA UNPD*
NPO16039 Scutellaria barbata Species Lamiaceae Eukaryota TM-MC*
NPO25358 Senecio gilliesi Species Asteraceae Eukaryota UNPD*
NPO273 Phyllobates bicolor Species Dendrobatidae Eukaryota UNPD*
NPO12018 Alternaria bataticola Species Pleosporaceae Eukaryota UNPD*
NPO4282 Fouquieria diguetii Species Fouquieriaceae Eukaryota UNPD*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO22525 Lobophytum denticulatum Species Alcyoniidae Eukaryota UNPD*
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota TM-MC*
NPO13313 Talipariti tiliaceum Species Malvaceae Eukaryota UNPD*
NPO25833 Asclepias subulata Species Apocynaceae Eukaryota UNPD*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota UNPD*
NPO13228 Farfugium japonicum Species Asteraceae Eukaryota UNPD*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO13994 Piscidia mollis Species Fabaceae Eukaryota UNPD*
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota TM-MC*
NPO12041 Parmelia barbata Species Parmeliaceae Eukaryota UNPD*
NPO9718 Cyphelium chrysocephalum Species Caliciaceae Eukaryota UNPD*
NPO10308 Clerodendrum brachyanthum Species Lamiaceae Eukaryota UNPD*
NPO16476 Astroloma humifusum Species Ericaceae Eukaryota UNPD*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota TM-MC*
NPO2070 Thioalkalivibrio versutus Species Ectothiorhodospiraceae Bacteria UNPD*
NPO29016 Valeriana jatamansi Species Caprifoliaceae Eukaryota TM-MC*
NPO16332 Liparis kumokiri Species Orchidaceae Eukaryota UNPD*
NPO15514 Pedicularis rex Species Orobanchaceae Eukaryota UNPD*
NPO28021 Trifolium echinatum Species Fabaceae Eukaryota UNPD*
NPO16296 Macrococculus pomiferus Species Menispermaceae Eukaryota UNPD*
NPO12584 Atractylodes chinensis Species Asteraceae Eukaryota TM-MC*
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota TM-MC*
NPO12483 Holarrhena floribunda Species Apocynaceae Eukaryota UNPD*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota TM-MC*
NPO11173 Tripetalum cymosum Species Clusiaceae Eukaryota UNPD*
NPO25802 Agave deserti Species Asparagaceae Eukaryota UNPD*
NPO26849 Parmelia zollingeri Species Parmeliaceae Eukaryota UNPD*
NPO7979 Diospyros virginiana Species Ebenaceae Eukaryota UNPD*
NPO2255 Saturnia pavonia Species Saturniidae Eukaryota UNPD*
NPO6698 Euphorbia pithyusa Species Euphorbiaceae Eukaryota UNPD*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TM-MC*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TM-MC*
NPO15992 Hypogymnia vittata Species Parmeliaceae Eukaryota UNPD*
NPO10391 Dolomiaea souliei Species Asteraceae Eukaryota TM-MC*
NPO26203 Dysidea villosa Species Dysideidae Eukaryota UNPD*
NPO6151 Astragalus eximius Species Fabaceae Eukaryota UNPD*
NPO22867 Stephanitis rhododendri Species Tingidae Eukaryota UNPD*
NPO24478 Morinda coreia Species Rubiaceae Eukaryota UNPD*
NPO20902 Atractylodes macrocephala Species Asteraceae Eukaryota TM-MC*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota TM-MC*
NPO9033 Anthyllis hermanniae Species Fabaceae Eukaryota UNPD*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TM-MC*
NPO25118 Centaurea benedicta Species Asteraceae Eukaryota UNPD*
NPO27456 Euphorbia pulcherrima Species Euphorbiaceae Eukaryota UNPD*
NPO7383 Puccinia lagenophorae Species Pucciniaceae Eukaryota UNPD*
NPO6553 Pseudomonas savastanoi Species Pseudomonadaceae Bacteria UNPD*
NPO2043 Pseudocyphellaria coronata Species Lobariaceae Eukaryota UNPD*
NPO25825 Saussurea costus Species Asteraceae Eukaryota TM-MC*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO9324 Notechis scutatus Species Elapidae Eukaryota UNPD*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TM-MC*
NPO13986 Anemone coronaria Species Ranunculaceae Eukaryota UNPD*
NPO22923 Parthenium bipinnatifidum Species Asteraceae Eukaryota UNPD*
NPO16657 Diospyros maritima Species Ebenaceae Eukaryota UNPD*
NPO14194 Mamestra brassicae Species Noctuidae Eukaryota UNPD*
NPO9456 Rubus sanctus Species Rosaceae Eukaryota UNPD*
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TM-MC*
NPO13274 Illicium verum Species Schisandraceae Eukaryota TM-MC*
NPO7626 Damnacanthus major Species Rubiaceae Eukaryota UNPD*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TM-MC*
NPO17358 Sorbus torminalis Species Rosaceae Eukaryota UNPD*
NPO25406 Celastrus monospermus Species Celastraceae Eukaryota UNPD*
NPO9133 Lathyrus latifolius Species Fabaceae Eukaryota UNPD*
NPO20708 Mesua beccariana Species Calophyllaceae Eukaryota UNPD*
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota TM-MC*
NPO17755 Inula helenium Species Asteraceae Eukaryota TM-MC*
NPO13018 Thelephora aurantiotincta Species Thelephoraceae Eukaryota UNPD*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO22565 Bidens graveolens Species Asteraceae Eukaryota UNPD*
NPO1267 Acronychia laurifolia Species Rutaceae Eukaryota UNPD*
NPO26690 Lactarius subpiperatus Species Lactariidae Eukaryota UNPD*
NPO26298 Zanthoxylum simulans Species Rutaceae Eukaryota UNPD*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TM-MC*
NPO28807 Laggera pterodonta Species Asteraceae Eukaryota TM-MC*
NPO3963 Hortonia floribunda Species Monimiaceae Eukaryota UNPD*
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota TM-MC*
NPO17166 Euphorbia palustris Species Euphorbiaceae Eukaryota UNPD*
NPO7100 Cynanchum sibiricum Species Apocynaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1268 Tissue Jejunum Oryctolagus cuniculus Inhibition = 31.6 % 10.1007/s00044-011-9601-9
NPT1269 Tissue Ileum Rattus norvegicus IC50 = 23.78 nM 10.1007/s00044-011-9601-9
NPT1269 Tissue Ileum Rattus norvegicus IC50 = 30 nM 10.1007/s00044-011-9601-9
NPT1269 Tissue Ileum Rattus norvegicus IC50 = 34.4 nM 10.1007/s00044-011-9601-9
NPT1269 Tissue Ileum Rattus norvegicus Ratio IC50 = 0.071 10.1007/s00044-011-9601-9
NPT1269 Tissue Ileum Rattus norvegicus IC50 = 1.36 nM 10.1007/s00044-011-9601-9
NPT350 Organism Tetranychus urticae Tetranychus urticae LC50 > 500 microg/cm3 21674753

  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 NPC13789 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 NPC27853
1.0 High Similarity NPC65786
1.0 High Similarity NPC7491
1.0 High Similarity NPC101285
0.8548 High Similarity NPC33583
0.8548 High Similarity NPC161612
0.85 High Similarity NPC50435
0.807 Intermediate Similarity NPC286752
0.791 Intermediate Similarity NPC329763
0.7797 Intermediate Similarity NPC210316
0.7778 Intermediate Similarity NPC287744
0.7778 Intermediate Similarity NPC140233
0.7681 Intermediate Similarity NPC474419
0.7627 Intermediate Similarity NPC223604
0.7586 Intermediate Similarity NPC165755
0.7246 Intermediate Similarity NPC40327
0.7077 Intermediate Similarity NPC474155
0.7077 Intermediate Similarity NPC473759
0.7049 Intermediate Similarity NPC300189
0.7015 Intermediate Similarity NPC469328
0.6974 Remote Similarity NPC145963
0.6923 Remote Similarity NPC253204
0.6901 Remote Similarity NPC92909
0.6901 Remote Similarity NPC107783
0.6818 Remote Similarity NPC283247
0.6806 Remote Similarity NPC167049
0.6806 Remote Similarity NPC469691
0.678 Remote Similarity NPC142103
0.6769 Remote Similarity NPC40206
0.6769 Remote Similarity NPC162109
0.6765 Remote Similarity NPC473929
0.6765 Remote Similarity NPC475897
0.6765 Remote Similarity NPC327815
0.6719 Remote Similarity NPC240206
0.6716 Remote Similarity NPC219940
0.6716 Remote Similarity NPC101128
0.6712 Remote Similarity NPC475771
0.6712 Remote Similarity NPC469669
0.6712 Remote Similarity NPC469678
0.6712 Remote Similarity NPC475861
0.6667 Remote Similarity NPC474477
0.6667 Remote Similarity NPC251335
0.6667 Remote Similarity NPC15152
0.6667 Remote Similarity NPC228574
0.6667 Remote Similarity NPC87439
0.6667 Remote Similarity NPC39068
0.6667 Remote Similarity NPC294304
0.6667 Remote Similarity NPC264779
0.6622 Remote Similarity NPC226242
0.6622 Remote Similarity NPC476607
0.6618 Remote Similarity NPC61503
0.6615 Remote Similarity NPC83838
0.6615 Remote Similarity NPC184049
0.6615 Remote Similarity NPC143810
0.6615 Remote Similarity NPC99480
0.6533 Remote Similarity NPC186109
0.6533 Remote Similarity NPC471454
0.6515 Remote Similarity NPC127824
0.6508 Remote Similarity NPC67508
0.6508 Remote Similarity NPC84824
0.6479 Remote Similarity NPC329656
0.6479 Remote Similarity NPC239373
0.6479 Remote Similarity NPC74722
0.6479 Remote Similarity NPC329989
0.6479 Remote Similarity NPC304690
0.6479 Remote Similarity NPC22301
0.6479 Remote Similarity NPC474248
0.6471 Remote Similarity NPC68656
0.6471 Remote Similarity NPC144650
0.6471 Remote Similarity NPC309300
0.6471 Remote Similarity NPC225415
0.6462 Remote Similarity NPC474769
0.6462 Remote Similarity NPC189290
0.6452 Remote Similarity NPC161473
0.6447 Remote Similarity NPC474005
0.6447 Remote Similarity NPC207186
0.6438 Remote Similarity NPC470237
0.6438 Remote Similarity NPC476709
0.6429 Remote Similarity NPC269077
0.6429 Remote Similarity NPC185874
0.6429 Remote Similarity NPC139207
0.6429 Remote Similarity NPC253303
0.6429 Remote Similarity NPC259299
0.6406 Remote Similarity NPC24443
0.64 Remote Similarity NPC472472
0.64 Remote Similarity NPC268111
0.6393 Remote Similarity NPC474331
0.6377 Remote Similarity NPC172613
0.6377 Remote Similarity NPC60837
0.6377 Remote Similarity NPC238352
0.6377 Remote Similarity NPC477009
0.6377 Remote Similarity NPC2728
0.6377 Remote Similarity NPC474768
0.6377 Remote Similarity NPC208198
0.6377 Remote Similarity NPC282619
0.6377 Remote Similarity NPC11555
0.6377 Remote Similarity NPC300442
0.6377 Remote Similarity NPC258595
0.6364 Remote Similarity NPC5698
0.6351 Remote Similarity NPC190859
0.6351 Remote Similarity NPC71152
0.6338 Remote Similarity NPC245795
0.6338 Remote Similarity NPC276616
0.6338 Remote Similarity NPC305698
0.6338 Remote Similarity NPC244790
0.6286 Remote Similarity NPC476406
0.6282 Remote Similarity NPC304795
0.6282 Remote Similarity NPC475946
0.6269 Remote Similarity NPC135648
0.6269 Remote Similarity NPC323153
0.6267 Remote Similarity NPC93213
0.6267 Remote Similarity NPC113639
0.625 Remote Similarity NPC477448
0.625 Remote Similarity NPC477449
0.625 Remote Similarity NPC9942
0.625 Remote Similarity NPC269841
0.6234 Remote Similarity NPC475980
0.6234 Remote Similarity NPC474056
0.6232 Remote Similarity NPC107540
0.6232 Remote Similarity NPC469723
0.6232 Remote Similarity NPC290367
0.6232 Remote Similarity NPC300593
0.6212 Remote Similarity NPC475830
0.6212 Remote Similarity NPC10017
0.6203 Remote Similarity NPC478262
0.6203 Remote Similarity NPC472471
0.6197 Remote Similarity NPC469868
0.6197 Remote Similarity NPC477791
0.6197 Remote Similarity NPC74885
0.6197 Remote Similarity NPC308522
0.6197 Remote Similarity NPC136813
0.6197 Remote Similarity NPC171225
0.6184 Remote Similarity NPC310643
0.6184 Remote Similarity NPC471726
0.6184 Remote Similarity NPC474527
0.6184 Remote Similarity NPC470766
0.6184 Remote Similarity NPC170148
0.6176 Remote Similarity NPC41160
0.6176 Remote Similarity NPC147524
0.6176 Remote Similarity NPC225342
0.6176 Remote Similarity NPC475251
0.6167 Remote Similarity NPC100445
0.6164 Remote Similarity NPC283316
0.6164 Remote Similarity NPC133873
0.6164 Remote Similarity NPC475310
0.6154 Remote Similarity NPC325869
0.6154 Remote Similarity NPC179024
0.6143 Remote Similarity NPC19569
0.6143 Remote Similarity NPC471200
0.6133 Remote Similarity NPC475517
0.6133 Remote Similarity NPC471525
0.6133 Remote Similarity NPC227814
0.6133 Remote Similarity NPC474524
0.6133 Remote Similarity NPC144995
0.6125 Remote Similarity NPC471159
0.6125 Remote Similarity NPC475936
0.6125 Remote Similarity NPC123880
0.6111 Remote Similarity NPC476945
0.6111 Remote Similarity NPC96484
0.6111 Remote Similarity NPC208999
0.6111 Remote Similarity NPC139785
0.6111 Remote Similarity NPC167527
0.6104 Remote Similarity NPC476703
0.6104 Remote Similarity NPC283619
0.6104 Remote Similarity NPC470750
0.6104 Remote Similarity NPC470751
0.6104 Remote Similarity NPC211279
0.6087 Remote Similarity NPC133368
0.6087 Remote Similarity NPC211291
0.6081 Remote Similarity NPC471662
0.6081 Remote Similarity NPC167706
0.6081 Remote Similarity NPC477084
0.6081 Remote Similarity NPC164022
0.6076 Remote Similarity NPC472470
0.6071 Remote Similarity NPC78551
0.6071 Remote Similarity NPC227632
0.6071 Remote Similarity NPC62086
0.6061 Remote Similarity NPC278550
0.6056 Remote Similarity NPC267027
0.6053 Remote Similarity NPC12696
0.6053 Remote Similarity NPC36479
0.6049 Remote Similarity NPC475842
0.6049 Remote Similarity NPC53867
0.6049 Remote Similarity NPC260852
0.6049 Remote Similarity NPC475622
0.6049 Remote Similarity NPC108045
0.6034 Remote Similarity NPC109813
0.6034 Remote Similarity NPC60556
0.6034 Remote Similarity NPC15162
0.6032 Remote Similarity NPC306195
0.6032 Remote Similarity NPC157781
0.6032 Remote Similarity NPC35519
0.6032 Remote Similarity NPC179169
0.6032 Remote Similarity NPC181255
0.6029 Remote Similarity NPC475412
0.6029 Remote Similarity NPC66020
0.6029 Remote Similarity NPC252809
0.6027 Remote Similarity NPC261398
0.6027 Remote Similarity NPC471560
0.6027 Remote Similarity NPC5714

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC13789 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
0.661 Remote Similarity NPD9410 Clinical (unspecified phase)
0.6515 Remote Similarity NPD1145 Discontinued
0.6143 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5921 Remote Similarity NPD6924 Approved
0.5921 Remote Similarity NPD6926 Approved
0.5769 Remote Similarity NPD6933 Approved
0.5763 Remote Similarity NPD367 Approved
0.5714 Remote Similarity NPD368 Approved
0.5663 Remote Similarity NPD6695 Phase 3
0.5641 Remote Similarity NPD7339 Approved
0.5641 Remote Similarity NPD6942 Approved
0.56 Remote Similarity NPD6922 Approved
0.56 Remote Similarity NPD6923 Approved

Structure

External Identifiers

PubChem CID   1742210
ChEMBL   CHEMBL508894
ZINC  

Physicochemical Properties

Molecular Weight:  220.18
ALogP:  1.9144
MLogP:  3
XLogP:  4.607
# Rotatable Bonds:  3
Polar Surface Area:  12.53
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  16

Download Data

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