Natural Product: NPC108218

Natural Product ID:  NPC108218
Common Name:   Phenylethyl Alcohol
IUPAC Name:   2-phenylethanol
Synonyms:   Phenethanol; Phenethyl Alcohol; Phenylethanol; Phenylethyl Alcohol
Molecular Formula:   C8H10O
Standard InCHIKey:  WRMNZCZEMHIOCP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Canonical SMILES:  OCCc1ccccc1
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
NPO8589 Triticum aestivum Species Poaceae Eukaryota Tsukuba, Japan 1998-JUN PMID[12381108]
NPO157 Convallaria majalis Species Asparagaceae Eukaryota UNPD*
NPO5946 Caryophylliflos NA NA NA TCMSP*
NPO31781 Streptomyces anu 6277 Species Streptomycetaceae Bacteria StreptomeDB*
NPO25653 Spatholobus suberectus Species Fabaceae Eukaryota TM-MC*
NPO27036 Xenia blumi Species Xeniidae Eukaryota UNPD*
NPO1524 Rosa rugosa Species Rosaceae Eukaryota UNPD*
NPO24718 Streptomyces parvulus Species Streptomycetaceae Bacteria UNPD*
NPO2898 Quercus sessiliflora Species Fagaceae Eukaryota UNPD*
NPO25896 Bragantia wallichii NA NA NA UNPD*
NPO26023 Angelica tarokoensis Species Apiaceae Eukaryota UNPD*
NPO29622 Siphonostegiae herba NA NA NA TCMSP*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TM-MC*
NPO23768 Camellia saluenensis Species Theaceae Eukaryota TCMID*
NPO25645 Flos lonicerae Species Lycaenidae Eukaryota HerDing*
NPO471 Ardisia neriifolia Species Primulaceae Eukaryota UNPD*
NPO23853 Senegalia mellifera Species Fabaceae Eukaryota UNPD*
NPO23538 Ephedra distachya Species Ephedraceae Eukaryota UNPD*
NPO18982 Espeletia grandiflora Species Asteraceae Eukaryota UNPD*
NPO22505 Bombax ceiba Species Malvaceae Eukaryota UNPD*
NPO29677 Scutellariae barbatae herba NA NA NA TCMSP*
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota TM-MC*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMID*
NPO26237 Piper longum Species Piperaceae Eukaryota TCM_Taiwan*
NPO25995 Laurencia distichophylla Species Rhodomelaceae Eukaryota UNPD*
NPO6365 Pachychalina alcaloidifera Species Niphatidae Eukaryota UNPD*
NPO26374 Alangium premnifolium Species Cornaceae Eukaryota UNPD*
NPO23656 Typha latifolia Species Typhaceae Eukaryota UNPD*
NPO29720 Dianthi herba NA NA NA TCMSP*
NPO2997 Aloe africana Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO20775 Populus tremuloides Species Salicaceae Eukaryota TCMID*
NPO30526 Notopterygium incisum NA NA NA HerDing*
NPO19948 Neolentinus lepideus Species Gloeophyllaceae Eukaryota UNPD*
NPO24899 Chroogomphus helveticus Species Gomphidiaceae Eukaryota UNPD*
NPO17182 Pulmonaria mollis Species Boraginaceae Eukaryota UNPD*
NPO26900 Vallota purpurea NA NA NA UNPD*
NPO29663 Junci medulla NA NA NA TCMSP*
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO20037 Ligusticum elatum Species Apiaceae Eukaryota TCMID*
NPO31091 Comus officinalis NA NA NA TCM_Taiwan*
NPO7447 Nemalion vermiculare Species Liagoraceae Eukaryota UNPD*
NPO13822 Aconitum fischeri Species Ranunculaceae Eukaryota UNPD*
NPO6092 Symphyocladia latiuscula Species Rhodomelaceae Eukaryota UNPD*
NPO23144 Brachyglottis bidwillii Species Asteraceae Eukaryota UNPD*
NPO29715 Litchi chinensis Species Sapindaceae Eukaryota TCMSP*
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota TM-MC*
NPO26406 Saussurea carthamoides Species Asteraceae Eukaryota UNPD*
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota TCM_Taiwan*
NPO2352 Tynanthus panurensis Species Bignoniaceae Eukaryota UNPD*
NPO25123 Scutellaria sieberi Species Lamiaceae Eukaryota UNPD*
NPO8830 Crotalaria orixensis Species Fabaceae Eukaryota UNPD*
NPO29564 Farfarae flos NA NA NA TCMSP*
NPO2837 Aloe spicata Species Asphodelaceae Eukaryota TM-MC*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TCMID*
NPO23749 Achillea nana Species Asteraceae Eukaryota UNPD*
NPO24112 Pisaster giganteus Species Asteriidae Eukaryota UNPD*
NPO24190 Uncaria sterrophylla Species Rubiaceae Eukaryota UNPD*
NPO24321 Vicia amoena Species Fabaceae Eukaryota UNPD*
NPO29575 Ardisiae japonicae herba NA NA NA TCMSP*
NPO11421 Arnebia euchroma Species Boraginaceae Eukaryota TM-MC*
NPO26429 Capsella bursa-pastoris Species Brassicaceae Eukaryota TCMID*
NPO18491 Hyacinthus orientalis Species Hyacinthaceae Eukaryota UNPD*
NPO13694 Rhodococcus erythropolis Species Nocardiaceae Bacteria UNPD*
NPO25792 Delphinium andersoni Species Ranunculaceae Eukaryota UNPD*
NPO27293 Sus scrofa Species Suidae Eukaryota UNPD*
NPO9130 Phyllospongia papyracea Species Thorectidae Eukaryota UNPD*
NPO27677 Uncariae ramulus cumuncis NA NA NA TCMSP*
NPO20297 Arnebia guttata Species Boraginaceae Eukaryota TM-MC*
NPO26237 Piper longum Species Piperaceae Eukaryota TCMID*
NPO26319 Solanum acaule Species Solanaceae Eukaryota UNPD*
NPO26834 Eutypella scoparia Species Diatrypaceae Eukaryota UNPD*
NPO25444 Christisonia bicolor Species Orobanchaceae Eukaryota UNPD*
NPO24588 Phellinus igniarius Species Hymenochaetaceae Eukaryota UNPD*
NPO3827 Violsse herba NA NA NA TCMSP*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO19592 Michelia alba Species Magnoliaceae Eukaryota TCMID*
NPO25190 Lonchocarpus atropurpureus Species Fabaceae Eukaryota UNPD*
NPO24491 Flindersia xanthoxyla Species Rutaceae Eukaryota UNPD*
NPO24687 Sabadilla officinalis NA NA NA UNPD*
NPO25972 Eupolyphaga sinensis Species Corydiidae Eukaryota UNPD*
NPO19092 Morindae officinalis radix NA NA NA TCMSP*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO12582 Camptotheca acuminata Species Nyssaceae Eukaryota TCMID*
NPO12287 Petunia x hybrida Species Solanaceae Eukaryota TCMID*
NPO21533 Smilax bracteata Species Smilacaceae Eukaryota UNPD*
NPO6237 Cryptocarya aschersoniana Species Lauraceae Eukaryota UNPD*
NPO3597 Rheedia acuminata Species Clusiaceae Eukaryota UNPD*
NPO3699 Acacia aulacocarpa Species Fabaceae Eukaryota UNPD*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO3725 Zanthoxylum hamiltonianum Species Rutaceae Eukaryota TCMID*
NPO3853 Aspidosperma subincanum Species Apocynaceae Eukaryota UNPD*
NPO8710 Licaria brasiliensis Species Lauraceae Eukaryota UNPD*
NPO26607 Colobocentrotus atratus Species Echinidae Eukaryota UNPD*
NPO23440 Aconitum napellus Species Ranunculaceae Eukaryota UNPD*
NPO26266 Isodon japonicus Species Lamiaceae Eukaryota UNPD*
NPO29713 Daturae flos NA NA NA TCMSP*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TM-MC*
NPO6749 Bergenia crassifolia Species Saxifragaceae Eukaryota UNPD*
NPO6288 Talaromyces islandicus Species Trichocomaceae Eukaryota UNPD*
NPO25870 Vaccinium vitis-idaea Species Ericaceae Eukaryota UNPD*
NPO26349 Frullania tamarisci Species Frullaniaceae Eukaryota UNPD*
NPO26699 Leonurus glaucescens Species Lamiaceae Eukaryota UNPD*
NPO24811 Cibotium barometz Species Cibotiaceae Eukaryota UNPD*
NPO29667 Scutellariae radix NA NA NA TCMSP*
NPO18101 Cicuta virosa Species Apiaceae Eukaryota TCMID*
NPO26507 Galenia africana Species Aizoaceae Eukaryota UNPD*
NPO25266 Baccharoides lasiopus Species Asteraceae Eukaryota UNPD*
NPO18743 Lagascea mollis Species Asteraceae Eukaryota UNPD*
NPO25129 Tricholoma acerbum Species Tricholomataceae Eukaryota UNPD*
NPO2592 Dactylosporangium salmoneum Species Micromonosporaceae Bacteria UNPD*
NPO29654 Lonicerae japonicae flos NA NA NA TCMSP*
NPO18093 Rosa chinensis Species Rosaceae Eukaryota TCMID*
NPO7066 Gomesa radicans Species Orchidaceae Eukaryota UNPD*
NPO6729 Juniperus brevifolia Species Cupressaceae Eukaryota UNPD*
NPO26451 Ophiocoma scolopendrina Species Ophiocomidae Eukaryota UNPD*
NPO26584 Gnidia lamprantha Species Thymelaeaceae Eukaryota UNPD*
NPO26501 Palafoxia texana Species Asteraceae Eukaryota UNPD*
NPO17331 Radix clematidis Species Lymnaeidae Eukaryota TCMSP*
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota TCMID*
NPO25198 Octopus vulgaris Species Octopodidae Eukaryota UNPD*
NPO20454 Bidens pilosa Species Asteraceae Eukaryota UNPD*
NPO17874 Mus striatus Species Muridae Eukaryota UNPD*
NPO26561 Micromeria pineolens Species Lamiaceae Eukaryota UNPD*
NPO21796 Lepidium graminifolium Species Brassicaceae Eukaryota UNPD*
NPO29546 Eriobotryae folium NA NA NA TCMSP*
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota TCMID*
NPO25739 Erysimum odoratum Species Brassicaceae Eukaryota UNPD*
NPO832 Pseudocinchona pachyceras Species Rubiaceae Eukaryota UNPD*
NPO26184 Diphasia angolensis Species Rutaceae Eukaryota UNPD*
NPO25769 Heterotheca inuloides Species Asteraceae Eukaryota UNPD*
NPO26919 Sanguisorba officinalis Species Rosaceae Eukaryota UNPD*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO27178 Ilicis purpureae folium NA NA NA TCMSP*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota TCMID*
NPO25104 Grindelia scorzonerifolia Species Asteraceae Eukaryota UNPD*
NPO19066 Pisolithus arhizus Species Pisolithaceae Eukaryota UNPD*
NPO26624 Ilex amara Species Aquifoliaceae Eukaryota UNPD*
NPO25225 Radianthus kuekenthali NA NA NA UNPD*
NPO24522 Sepia officinalis Species Sepiidae Eukaryota UNPD*
NPO4054 Lysimachiae foenigraeci herba NA NA NA TCMSP*
NPO1524 Rosa rugosa Species Rosaceae Eukaryota TCMID*
NPO28581 Aspergillus fumisynnematus Species Aspergillaceae Eukaryota UNPD*
NPO26161 Globba malaccensis Species Zingiberaceae Eukaryota UNPD*
NPO26950 Maba buxifolia Species Ebenaceae Eukaryota UNPD*
NPO25923 Vismia jefensis Species Hypericaceae Eukaryota UNPD*
NPO29557 Sparganii rhizoma NA NA NA TCMSP*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*
NPO20902 Atractylodes macrocephala Species Asteraceae Eukaryota TM-MC*
NPO4823 Psiadia dentata Species Asteraceae Eukaryota UNPD*
NPO25645 Flos lonicerae Species Lycaenidae Eukaryota TCMID*
NPO1068 Platytaenia lasiocarpa NA NA NA UNPD*
NPO1763 Rabdosia angustifolia Species Lamiaceae Eukaryota UNPD*
NPO22685 Astragalus bisulcatus Species Fabaceae Eukaryota UNPD*
NPO23365 Drummondita hassellii Species Rutaceae Eukaryota UNPD*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TCMSP*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO26378 Bistorta manshuriensis Species Polygonaceae Eukaryota TM-MC*
NPO12582 Camptotheca acuminata Species Nyssaceae Eukaryota HerDing*
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota TCMID*
NPO5227 Lawsonia inermis Species Lythraceae Eukaryota UNPD*
NPO23286 Galium mollugo Species Rubiaceae Eukaryota UNPD*
NPO5155 Peritassa compta Species Celastraceae Eukaryota UNPD*
NPO24405 Farlowia mollis Species Dumontiaceae Eukaryota UNPD*
NPO29668 Oroxyli semen NA NA NA TCMSP*
NPO15373 Actaea dahurica Species Ranunculaceae Eukaryota TM-MC*
NPO14234 Aspergillus niger Species Aspergillaceae Eukaryota Phytochemistry,1988,27(10): 3169-3173
NPO20123 Actinidia polygama Species Actinidiaceae Eukaryota TCMID*
NPO24558 Calea lantanoides Species Asteraceae Eukaryota UNPD*
NPO5196 Eupatorium argentinum Species Asteraceae Eukaryota UNPD*
NPO24020 Raputia praetermissa NA NA NA UNPD*
NPO26056 Atroxima liberica Species Polygalaceae Eukaryota UNPD*
NPO29684 Buddlejae flos NA NA NA TCMSP*
NPO15890 Actaea cimicifuga Species Ranunculaceae Eukaryota TM-MC*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TCM_Taiwan*
NPO4947 Tagetes minuta Species Asteraceae Eukaryota TCMID*
NPO26287 Spodoptera eridania Species Noctuidae Eukaryota UNPD*
NPO5510 Lepidium draba Species Brassicaceae Eukaryota UNPD*
NPO249 Dysosma pleianthum Species Berberidaceae Eukaryota UNPD*
NPO25065 Gardenia imperialis Species Rubiaceae Eukaryota UNPD*
NPO6444 Humulus scandens Species Cannabaceae Eukaryota TCMSP*
NPO389 Actaea heracleifolia Species Ranunculaceae Eukaryota TM-MC*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota HerDing*
NPO25509 Tetrataenium canescens Species Apiaceae Eukaryota TCMID*
NPO24935 Coronilla cretica Species Fabaceae Eukaryota UNPD*
NPO9392 Elaeodendron alluaudianum Species Celastraceae Eukaryota UNPD*
NPO24753 Ballota limbata Species Lamiaceae Eukaryota UNPD*
NPO22911 Enterococcus faecalis Species Enterococcaceae Bacteria UNPD*
NPO18840 Platycladi cacumen NA NA NA TCMSP*
NPO2727 Actaea simplex Species Ranunculaceae Eukaryota TM-MC*
NPO1524 Rosa rugosa Species Rosaceae Eukaryota TCM_Taiwan*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMID*
NPO22025 Drosera indica Species Droseraceae Eukaryota UNPD*
NPO23108 Pinus flexilis Species Pinaceae Eukaryota UNPD*
NPO26052 Swertia delavayi Species Gentianaceae Eukaryota UNPD*
NPO26806 Nidula candida Species Nidulariaceae Eukaryota UNPD*
NPO26387 Linum crispum Species Linaceae Eukaryota UNPD*
NPO15117 Chromolaena odorata Species Asteraceae Eukaryota UNPD*
NPO22874 Bombyx mori Species Bombycidae Eukaryota TCMSP*
NPO22033 Cnidium officinale Species Apiaceae Eukaryota TM-MC*
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota HerDing*
NPO16309 Semen astragali complanati NA NA NA TCMID*
NPO12078 Vepris nobilis Species Rutaceae Eukaryota UNPD*
NPO25150 Haliclona cribricutis Species Chalinidae Eukaryota UNPD*
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota UNPD*
NPO19349 Phlegmariurus yunnanensis Species Lycopodiaceae Eukaryota UNPD*
NPO18105 Fructus ligustri lucidi NA NA NA TCMSP*
NPO9445 Crocus sativus Species Iridaceae Eukaryota TM-MC*
NPO17024 Vitis vinifera Species Vitaceae Eukaryota PMID[25518943]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota TCMID*
NPO11680 Strychnos brachiata Species Loganiaceae Eukaryota UNPD*
NPO7569 Guatteria boliviana Species Annonaceae Eukaryota UNPD*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota UNPD*
NPO19691 Mycena fagetorum Species Tricholomataceae Eukaryota UNPD*
NPO11638 Cinnanmomi cortex NA NA NA TCMSP*
NPO1963 Ilicis cornutae folium immayuri NA NA NA TCMSP*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[21970810]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota TCMID*
NPO11751 Tetracera alnifolia Species Dilleniaceae Eukaryota UNPD*
NPO24657 Bothriocline ripensis Species Asteraceae Eukaryota UNPD*
NPO26211 Knightia excelsa Species Proteaceae Eukaryota UNPD*
NPO25949 Streptomyces griseovariabilis Species Streptomycetaceae Bacteria UNPD*
NPO20949 Paederiae scandentis herba NA NA NA TCMSP*
NPO29559 Cinnamomi ramulus NA NA NA TCMSP*
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota TM-MC*
NPO20123 Actinidia polygama Species Actinidiaceae Eukaryota TCM_Taiwan*
NPO1420 Tenebrio obscurus Species Tenebrionidae Eukaryota UNPD*
NPO4156 Apocynum androsaemifolium Species Apocynaceae Eukaryota UNPD*
NPO8418 Anemone flaccida Species Ranunculaceae Eukaryota UNPD*
NPO19819 Trichoderma viride Species Hypocreaceae Eukaryota UNPD*
NPO1771 Rose rugosae flos NA NA NA TCMSP*
NPO23871 Dysosmae verspiellis rhixoma et radix NA NA NA TCMSP*
NPO23213 Bistorta officinalis Species Polygonaceae Eukaryota TM-MC*
NPO21658 Saccharomyces cerevisiae Species Saccharomycetaceae Eukaryota PMID[24678285]
NPO25071 Aspergillus albus Species Aspergillaceae Eukaryota UNPD*
NPO24771 Boenninghausenia albiflora Species Rutaceae Eukaryota UNPD*
NPO26927 Salacia madagascariensis Species Celastraceae Eukaryota UNPD*
NPO23924 Psilotum nudum Species Psilotaceae Eukaryota UNPD*
NPO29562 Mume flos NA NA NA TCMSP*
NPO2203 Flos genkwa Species Lycaenidae Eukaryota TCMSP*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TM-MC*
NPO24758 Angelica dahurica Species Apiaceae Eukaryota HerDing*
NPO26654 Penicillium citreonigrum Species Aspergillaceae Eukaryota UNPD*
NPO24968 Delphinus globiceps Species Delphinidae Eukaryota UNPD*
NPO26134 Epimedium davidii Species Berberidaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 89125.1 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 562.3 nM PubChem BioAssay data set
NPT1280 Organism Thrips tabaci Thrips tabaci Ratio = 3.8 17602496
NPT1281 Organism Thrips obscuratus Thrips obscuratus Ratio = 9.5 17602496
NPT1281 Organism Thrips obscuratus Thrips obscuratus Ratio = 9.8 17602496
NPT2798 Organism Colletotrichum camelliae Colletotrichum camelliae MIC = 2040 ug/ml 16719518
NPT2798 Organism Colletotrichum camelliae Colletotrichum camelliae GI = 92.6 % 16719518
NPT2798 Organism Colletotrichum camelliae Colletotrichum camelliae GI = 85.2 % 16719518
NPT2798 Organism Colletotrichum camelliae Colletotrichum camelliae GI = 70.4 % 16719518
NPT2798 Organism Colletotrichum camelliae Colletotrichum camelliae GI = 46.3 % 16719518
NPT2798 Organism Colletotrichum camelliae Colletotrichum camelliae GI = 51.9 % 16719518
NPT119 Organism Triticum aestivum Triticum aestivum GI = 9 % 12381108
NPT119 Organism Triticum aestivum Triticum aestivum GI = 16 % 12381108
NPT119 Organism Triticum aestivum Triticum aestivum Inhibition = 53 % 12381108
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides EC50 = 1000 ug/ml 12926880
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides EC50 = 8128305.16 nM 12926880
NPT722 Organism Athelia rolfsii Athelia rolfsii GI = 0 % 10.1584/jpestics.21.141
NPT723 Organism Pythium Pythium GI = 50.9 % 10.1584/jpestics.21.141
NPT2 Others Unspecified Potency 48557.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61441.5 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 23914.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 98.2 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 110.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13333.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 3548.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23710.1 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 NPC108218 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
0.9706 High Similarity NPC208302
0.9444 High Similarity NPC224544
0.9067 High Similarity NPC117180
0.9041 High Similarity NPC66655
0.9028 High Similarity NPC189371
0.8947 High Similarity NPC87299
0.8947 High Similarity NPC99394
0.8947 High Similarity NPC329319
0.8947 High Similarity NPC103326
0.8831 High Similarity NPC172984
0.8718 High Similarity NPC304538
0.8684 High Similarity NPC164449
0.8684 High Similarity NPC184030
0.85 High Similarity NPC93843
0.8462 Intermediate Similarity NPC73637
0.8462 Intermediate Similarity NPC475199
0.8462 Intermediate Similarity NPC121478
0.8462 Intermediate Similarity NPC283012
0.8451 Intermediate Similarity NPC82770
0.8451 Intermediate Similarity NPC239931
0.8451 Intermediate Similarity NPC78954
0.8442 Intermediate Similarity NPC192623
0.8333 Intermediate Similarity NPC133050
0.8312 Intermediate Similarity NPC170484
0.8205 Intermediate Similarity NPC121800
0.8205 Intermediate Similarity NPC309279
0.8193 Intermediate Similarity NPC1793
0.8193 Intermediate Similarity NPC199567
0.8171 Intermediate Similarity NPC211237
0.8148 Intermediate Similarity NPC99482
0.8125 Intermediate Similarity NPC285773
0.8025 Intermediate Similarity NPC168855
0.8 Intermediate Similarity NPC79917
0.8 Intermediate Similarity NPC103387
0.8 Intermediate Similarity NPC300017
0.8 Intermediate Similarity NPC323103
0.8 Intermediate Similarity NPC317645
0.7975 Intermediate Similarity NPC328178
0.7975 Intermediate Similarity NPC127343
0.7927 Intermediate Similarity NPC474354
0.7907 Intermediate Similarity NPC314690
0.7907 Intermediate Similarity NPC128645
0.7901 Intermediate Similarity NPC270507
0.7875 Intermediate Similarity NPC165212
0.7867 Intermediate Similarity NPC155429
0.7848 Intermediate Similarity NPC469894
0.7831 Intermediate Similarity NPC474211
0.7816 Intermediate Similarity NPC138117
0.7816 Intermediate Similarity NPC325292
0.7794 Intermediate Similarity NPC198841
0.7778 Intermediate Similarity NPC106313
0.7765 Intermediate Similarity NPC104216
0.7738 Intermediate Similarity NPC155393
0.7738 Intermediate Similarity NPC322387
0.7727 Intermediate Similarity NPC20142
0.7727 Intermediate Similarity NPC215351
0.7711 Intermediate Similarity NPC294134
0.7701 Intermediate Similarity NPC265521
0.7683 Intermediate Similarity NPC477770
0.7683 Intermediate Similarity NPC288903
0.7683 Intermediate Similarity NPC44830
0.7681 Intermediate Similarity NPC65873
0.7681 Intermediate Similarity NPC212114
0.7681 Intermediate Similarity NPC120441
0.7681 Intermediate Similarity NPC300345
0.7647 Intermediate Similarity NPC149436
0.7647 Intermediate Similarity NPC407
0.7647 Intermediate Similarity NPC307235
0.7647 Intermediate Similarity NPC329064
0.7647 Intermediate Similarity NPC23167
0.764 Intermediate Similarity NPC21959
0.764 Intermediate Similarity NPC313650
0.7619 Intermediate Similarity NPC175313
0.76 Intermediate Similarity NPC235059
0.76 Intermediate Similarity NPC169222
0.76 Intermediate Similarity NPC16190
0.7586 Intermediate Similarity NPC300478
0.7586 Intermediate Similarity NPC47950
0.7586 Intermediate Similarity NPC312304
0.7586 Intermediate Similarity NPC187725
0.7586 Intermediate Similarity NPC141607
0.7586 Intermediate Similarity NPC220596
0.7558 Intermediate Similarity NPC113460
0.7558 Intermediate Similarity NPC25493
0.7558 Intermediate Similarity NPC27974
0.7556 Intermediate Similarity NPC289201
0.7536 Intermediate Similarity NPC269586
0.7532 Intermediate Similarity NPC271437
0.7529 Intermediate Similarity NPC197783
0.7529 Intermediate Similarity NPC198747
0.75 Intermediate Similarity NPC58616
0.75 Intermediate Similarity NPC265146
0.75 Intermediate Similarity NPC95965
0.7473 Intermediate Similarity NPC262826
0.7473 Intermediate Similarity NPC226096
0.7473 Intermediate Similarity NPC175852
0.7473 Intermediate Similarity NPC474073
0.7473 Intermediate Similarity NPC290515
0.7473 Intermediate Similarity NPC108606
0.7473 Intermediate Similarity NPC160548
0.7473 Intermediate Similarity NPC303611
0.7473 Intermediate Similarity NPC210529
0.7473 Intermediate Similarity NPC164514
0.7471 Intermediate Similarity NPC274455
0.7471 Intermediate Similarity NPC123273
0.7471 Intermediate Similarity NPC86670
0.7471 Intermediate Similarity NPC242240
0.7471 Intermediate Similarity NPC258219
0.7471 Intermediate Similarity NPC280347
0.7471 Intermediate Similarity NPC318325
0.7471 Intermediate Similarity NPC70940
0.7471 Intermediate Similarity NPC258627
0.7471 Intermediate Similarity NPC177420
0.7471 Intermediate Similarity NPC172128
0.747 Intermediate Similarity NPC146703
0.7442 Intermediate Similarity NPC304760
0.7436 Intermediate Similarity NPC208075
0.7412 Intermediate Similarity NPC248817
0.7412 Intermediate Similarity NPC286904
0.7412 Intermediate Similarity NPC243166
0.7403 Intermediate Similarity NPC326200
0.7391 Intermediate Similarity NPC132078
0.7391 Intermediate Similarity NPC277704
0.7391 Intermediate Similarity NPC128723
0.7391 Intermediate Similarity NPC216468
0.7391 Intermediate Similarity NPC51333
0.7391 Intermediate Similarity NPC100870
0.7391 Intermediate Similarity NPC78119
0.7386 Intermediate Similarity NPC55561
0.7386 Intermediate Similarity NPC192
0.7381 Intermediate Similarity NPC95429
0.7361 Intermediate Similarity NPC54368
0.7361 Intermediate Similarity NPC135924
0.7361 Intermediate Similarity NPC246588
0.7361 Intermediate Similarity NPC210849
0.7361 Intermediate Similarity NPC150196
0.7361 Intermediate Similarity NPC310758
0.7361 Intermediate Similarity NPC238023
0.7361 Intermediate Similarity NPC248705
0.7356 Intermediate Similarity NPC9822
0.7333 Intermediate Similarity NPC206764
0.7333 Intermediate Similarity NPC58674
0.7326 Intermediate Similarity NPC89377
0.7324 Intermediate Similarity NPC114327
0.7324 Intermediate Similarity NPC8235
0.7324 Intermediate Similarity NPC36357
0.7312 Intermediate Similarity NPC214200
0.7312 Intermediate Similarity NPC289117
0.7312 Intermediate Similarity NPC174911
0.7312 Intermediate Similarity NPC130103
0.7312 Intermediate Similarity NPC469481
0.7312 Intermediate Similarity NPC294741
0.7312 Intermediate Similarity NPC228400
0.7312 Intermediate Similarity NPC213730
0.7303 Intermediate Similarity NPC304541
0.7303 Intermediate Similarity NPC45040
0.7303 Intermediate Similarity NPC306074
0.7294 Intermediate Similarity NPC124436
0.7294 Intermediate Similarity NPC475710
0.7273 Intermediate Similarity NPC240108
0.7273 Intermediate Similarity NPC185501
0.7273 Intermediate Similarity NPC213156
0.726 Intermediate Similarity NPC29680
0.726 Intermediate Similarity NPC22786
0.726 Intermediate Similarity NPC66517
0.726 Intermediate Similarity NPC71009
0.7241 Intermediate Similarity NPC477704
0.7241 Intermediate Similarity NPC477693
0.7241 Intermediate Similarity NPC325441
0.7241 Intermediate Similarity NPC184169
0.7237 Intermediate Similarity NPC311343
0.7234 Intermediate Similarity NPC110764
0.7234 Intermediate Similarity NPC91461
0.7234 Intermediate Similarity NPC40258
0.7234 Intermediate Similarity NPC7686
0.7234 Intermediate Similarity NPC327226
0.7222 Intermediate Similarity NPC55903
0.7222 Intermediate Similarity NPC94139
0.7222 Intermediate Similarity NPC306884
0.7222 Intermediate Similarity NPC162314
0.7222 Intermediate Similarity NPC147062
0.7222 Intermediate Similarity NPC3358
0.7222 Intermediate Similarity NPC147284
0.7222 Intermediate Similarity NPC210497
0.7222 Intermediate Similarity NPC271440
0.7222 Intermediate Similarity NPC169110
0.7209 Intermediate Similarity NPC150837
0.7191 Intermediate Similarity NPC110704
0.7179 Intermediate Similarity NPC74458
0.7174 Intermediate Similarity NPC283711
0.7174 Intermediate Similarity NPC324602
0.7162 Intermediate Similarity NPC21211
0.7162 Intermediate Similarity NPC113670
0.7162 Intermediate Similarity NPC88566
0.716 Intermediate Similarity NPC298023
0.7159 Intermediate Similarity NPC220893
0.7159 Intermediate Similarity NPC173443
0.7159 Intermediate Similarity NPC470877
0.7158 Intermediate Similarity NPC82426
0.7158 Intermediate Similarity NPC91820

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC108218 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
0.9041 High Similarity NPD9294 Approved
0.8125 Intermediate Similarity NPD9491 Approved
0.7875 Intermediate Similarity NPD226 Approved
0.7857 Intermediate Similarity NPD531 Approved
0.7738 Intermediate Similarity NPD9538 Approved
0.7654 Intermediate Similarity NPD9250 Approved
0.7647 Intermediate Similarity NPD1101 Approved
0.7625 Intermediate Similarity NPD9490 Approved
0.7558 Intermediate Similarity NPD800 Approved
0.75 Intermediate Similarity NPD225 Approved
0.75 Intermediate Similarity NPD227 Approved
0.7473 Intermediate Similarity NPD9609 Approved
0.7473 Intermediate Similarity NPD9495 Approved
0.7473 Intermediate Similarity NPD9612 Approved
0.7473 Intermediate Similarity NPD9611 Approved
0.7471 Intermediate Similarity NPD1090 Approved
0.7471 Intermediate Similarity NPD1089 Approved
0.7471 Intermediate Similarity NPD1086 Approved
0.7416 Intermediate Similarity NPD3718 Approved
0.7416 Intermediate Similarity NPD3719 Approved
0.7386 Intermediate Similarity NPD530 Approved
0.7386 Intermediate Similarity NPD1239 Approved
0.7333 Intermediate Similarity NPD4814 Discontinued
0.7326 Intermediate Similarity NPD4793 Discontinued
0.7303 Intermediate Similarity NPD9251 Approved
0.7303 Intermediate Similarity NPD1088 Approved
0.7303 Intermediate Similarity NPD752 Approved
0.7294 Intermediate Similarity NPD111 Approved
0.7234 Intermediate Similarity NPD855 Approved
0.7234 Intermediate Similarity NPD854 Approved
0.7234 Intermediate Similarity NPD4719 Phase 2
0.7222 Intermediate Similarity NPD845 Approved
0.7222 Intermediate Similarity NPD719 Approved
0.7222 Intermediate Similarity NPD720 Approved
0.7222 Intermediate Similarity NPD1409 Phase 3
0.7222 Intermediate Similarity NPD1066 Discontinued
0.7162 Intermediate Similarity NPD675 Discontinued
0.7159 Intermediate Similarity NPD5347 Phase 2
0.7159 Intermediate Similarity NPD5346 Phase 2
0.7158 Intermediate Similarity NPD5700 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3772 Phase 3
0.7143 Intermediate Similarity NPD2933 Approved
0.7143 Intermediate Similarity NPD2934 Approved
0.7143 Intermediate Similarity NPD9497 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1693 Approved
0.7126 Intermediate Similarity NPD1087 Approved
0.7125 Intermediate Similarity NPD9716 Approved
0.7111 Intermediate Similarity NPD159 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD310 Approved
0.7083 Intermediate Similarity NPD10 Approved
0.7083 Intermediate Similarity NPD315 Approved
0.7083 Intermediate Similarity NPD311 Approved
0.7083 Intermediate Similarity NPD309 Approved
0.7083 Intermediate Similarity NPD1237 Approved
0.7083 Intermediate Similarity NPD314 Approved
0.7067 Intermediate Similarity NPD173 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD844 Approved
0.7065 Intermediate Similarity NPD2859 Approved
0.7065 Intermediate Similarity NPD2860 Approved
0.6989 Remote Similarity NPD1566 Phase 3
0.6989 Remote Similarity NPD288 Approved
0.6989 Remote Similarity NPD1875 Phase 1
0.6989 Remote Similarity NPD1564 Approved
0.6989 Remote Similarity NPD1565 Approved
0.6979 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6966 Remote Similarity NPD9249 Phase 1
0.6966 Remote Similarity NPD689 Discontinued
0.6923 Remote Similarity NPD6690 Approved
0.6889 Remote Similarity NPD9256 Approved
0.6889 Remote Similarity NPD3673 Approved
0.6889 Remote Similarity NPD3672 Approved
0.6889 Remote Similarity NPD9258 Approved
0.6882 Remote Similarity NPD1809 Phase 2
0.6882 Remote Similarity NPD1989 Approved
0.6869 Remote Similarity NPD4095 Clinical (unspecified phase)
0.6869 Remote Similarity NPD9532 Phase 3
0.6848 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6842 Remote Similarity NPD3020 Approved
0.6842 Remote Similarity NPD2066 Phase 3
0.6804 Remote Similarity NPD6647 Phase 2
0.6804 Remote Similarity NPD5765 Approved
0.6771 Remote Similarity NPD289 Clinical (unspecified phase)
0.6771 Remote Similarity NPD1616 Discontinued
0.6739 Remote Similarity NPD1814 Approved
0.6739 Remote Similarity NPD1812 Approved
0.6733 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6702 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6701 Remote Similarity NPD846 Approved
0.6701 Remote Similarity NPD4817 Approved
0.6701 Remote Similarity NPD9721 Approved
0.6701 Remote Similarity NPD4818 Approved
0.6701 Remote Similarity NPD9722 Approved
0.6701 Remote Similarity NPD4119 Approved
0.6701 Remote Similarity NPD940 Approved
0.67 Remote Similarity NPD290 Approved
0.67 Remote Similarity NPD6406 Approved
0.6667 Remote Similarity NPD3971 Phase 1
0.6667 Remote Similarity NPD4025 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1563 Approved
0.6667 Remote Similarity NPD9712 Approved
0.6634 Remote Similarity NPD2684 Approved
0.6633 Remote Similarity NPD4656 Approved
0.6633 Remote Similarity NPD1930 Approved
0.6633 Remote Similarity NPD4231 Approved
0.6633 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6633 Remote Similarity NPD1415 Approved
0.6633 Remote Similarity NPD3683 Approved
0.6633 Remote Similarity NPD1929 Approved
0.6633 Remote Similarity NPD3681 Approved
0.6633 Remote Similarity NPD4229 Approved
0.6633 Remote Similarity NPD3682 Approved
0.6633 Remote Similarity NPD1542 Approved
0.6633 Remote Similarity NPD4658 Approved
0.6633 Remote Similarity NPD3680 Approved
0.6632 Remote Similarity NPD9566 Approved
0.6629 Remote Similarity NPD9257 Approved
0.6629 Remote Similarity NPD9259 Approved
0.66 Remote Similarity NPD6685 Approved
0.66 Remote Similarity NPD968 Approved
0.6598 Remote Similarity NPD2550 Approved
0.6598 Remote Similarity NPD2549 Approved
0.6598 Remote Similarity NPD2552 Approved
0.6598 Remote Similarity NPD2555 Approved
0.6598 Remote Similarity NPD2553 Approved
0.6598 Remote Similarity NPD2558 Approved
0.6596 Remote Similarity NPD7343 Discovery
0.6596 Remote Similarity NPD7344 Phase 1
0.6585 Remote Similarity NPD9087 Approved
0.6569 Remote Similarity NPD9713 Approved
0.6566 Remote Similarity NPD9608 Approved
0.6566 Remote Similarity NPD9610 Approved
0.6566 Remote Similarity NPD179 Clinical (unspecified phase)
0.6562 Remote Similarity NPD9711 Approved
0.6562 Remote Similarity NPD253 Approved
0.6562 Remote Similarity NPD9710 Approved
0.6556 Remote Similarity NPD1282 Approved
0.6543 Remote Similarity NPD292 Approved
0.6543 Remote Similarity NPD294 Approved
0.6531 Remote Similarity NPD1540 Approved
0.6531 Remote Similarity NPD4189 Approved
0.6531 Remote Similarity NPD4188 Approved
0.6517 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6512 Remote Similarity NPD1507 Clinical (unspecified phase)
0.65 Remote Similarity NPD5048 Discontinued
0.65 Remote Similarity NPD5717 Approved
0.65 Remote Similarity NPD794 Clinical (unspecified phase)
0.65 Remote Similarity NPD1040 Phase 2
0.65 Remote Similarity NPD999 Phase 2
0.6495 Remote Similarity NPD1067 Discontinued
0.6495 Remote Similarity NPD3097 Clinical (unspecified phase)
0.6495 Remote Similarity NPD1238 Approved
0.6489 Remote Similarity NPD1202 Approved
0.6476 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6463 Remote Similarity NPD9728 Phase 1
0.6437 Remote Similarity NPD942 Approved
0.6436 Remote Similarity NPD1444 Approved
0.6436 Remote Similarity NPD1445 Approved
0.6436 Remote Similarity NPD467 Phase 1
0.6429 Remote Similarity NPD1242 Phase 1
0.6429 Remote Similarity NPD3028 Approved
0.6429 Remote Similarity NPD4760 Clinical (unspecified phase)
0.6415 Remote Similarity NPD2629 Approved
0.6415 Remote Similarity NPD9614 Approved
0.6415 Remote Similarity NPD9618 Approved
0.64 Remote Similarity NPD3047 Approved
0.64 Remote Similarity NPD3046 Approved
0.64 Remote Similarity NPD3048 Approved
0.6392 Remote Similarity NPD9273 Approved
0.6392 Remote Similarity NPD4117 Approved
0.6386 Remote Similarity NPD80 Approved
0.6386 Remote Similarity NPD9592 Approved
0.6386 Remote Similarity NPD9591 Approved
0.6386 Remote Similarity NPD9588 Approved
0.6386 Remote Similarity NPD505 Clinical (unspecified phase)
0.6386 Remote Similarity NPD9594 Approved
0.6386 Remote Similarity NPD9593 Approved
0.6386 Remote Similarity NPD9589 Approved
0.6386 Remote Similarity NPD9590 Approved
0.6381 Remote Similarity NPD821 Approved
0.6381 Remote Similarity NPD7843 Approved
0.6374 Remote Similarity NPD187 Approved
0.6373 Remote Similarity NPD2342 Discontinued
0.6373 Remote Similarity NPD6038 Clinical (unspecified phase)
0.6364 Remote Similarity NPD1932 Approved
0.6346 Remote Similarity NPD801 Discontinued
0.6346 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6327 Remote Similarity NPD7798 Approved
0.6321 Remote Similarity NPD2652 Approved
0.6321 Remote Similarity NPD2650 Approved
0.6316 Remote Similarity NPD1080 Approved
0.6311 Remote Similarity NPD4717 Approved
0.6311 Remote Similarity NPD4718 Approved
0.6311 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6311 Remote Similarity NPD4720 Approved
0.6296 Remote Similarity NPD694 Clinical (unspecified phase)
0.6296 Remote Similarity NPD6775 Clinical (unspecified phase)
0.6296 Remote Similarity NPD1673 Approved
0.6289 Remote Similarity NPD2487 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   6054
ChEMBL   CHEMBL448500
ZINC  

Physicochemical Properties

Molecular Weight:  122.07
ALogP:  -0.1931
MLogP:  2.23
XLogP:  3.189
# Rotatable Bonds:  3
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  9

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