Natural Product: NPC26960

Natural Product ID:  NPC26960
Common Name:   Trans-Phytol
IUPAC Name:   (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
Synonyms:   Trans-Phytol
Molecular Formula:   C20H40O
Standard InCHIKey:  BOTWFXYSPFMFNR-PYDDKJGSSA-N
Standard InCHI:  InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
Canonical SMILES:  OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)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
NPO23499 Carpesium faberi Species Asteraceae Eukaryota Whole Plants Changshou County, Chongqing, China 2008-AUG PMID[21109433]
NPO6609 Trigonostemon heterophyllus Species Euphorbiaceae Eukaryota UNPD*
NPO3287 Hymenoxys scaposa Species Asteraceae Eukaryota UNPD*
NPO29711 Kochiae fructus NA NA NA TCMSP*
NPO26589 Artemisia annua Species Asteraceae Eukaryota TM-MC*
NPO16039 Scutellaria barbata Species Lamiaceae Eukaryota TM-MC*
NPO9704 Sonneratia caseolaris Species Lythraceae Eukaryota UNPD*
NPO26390 Triphasia trifolia Species Rutaceae Eukaryota UNPD*
NPO9319 Pterocaulon virgatum Species Asteraceae Eukaryota UNPD*
NPO19544 Camassia cusickii Species Asparagaceae Eukaryota UNPD*
NPO1192 Salvia corrugata Species Lamiaceae Eukaryota UNPD*
NPO29720 Dianthi herba NA NA NA TCMSP*
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota TM-MC*
NPO1596 Taraxacum borealisinense Species Asteraceae Eukaryota TM-MC*
NPO9480 Huperzia miyoshiana Species Lycopodiaceae Eukaryota UNPD*
NPO10638 Plectranthus myrianthus Species Lamiaceae Eukaryota UNPD*
NPO19140 Aloe excelsa Species Asphodelaceae Eukaryota UNPD*
NPO17552 Senecio flammeus Species Asteraceae Eukaryota UNPD*
NPO21030 Monascus kaoliang Species Aspergillaceae Eukaryota UNPD*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO23327 Taraxacum coreanum Species Asteraceae Eukaryota TM-MC*
NPO25961 Liatris graminifolia Species Asteraceae Eukaryota UNPD*
NPO7822.1 Eucalyptus globulus subsp. bicostata Subspecies Myrtaceae Eukaryota UNPD*
NPO18529 Salvia broussoneti Species Lamiaceae Eukaryota UNPD*
NPO17672 Euryops linifolius Species Asteraceae Eukaryota UNPD*
NPO18655 Clerodendranthus spicatus Species Lamiaceae Eukaryota UNPD*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO26785 Taraxacum mongolicum Species Asteraceae Eukaryota TM-MC*
NPO26275 Dactynotus rudbeckiae NA NA NA UNPD*
NPO16666 Eunicea calyculata Species Plexauridae Eukaryota UNPD*
NPO12091 Martensia denticulata Species Delesseriaceae Eukaryota UNPD*
NPO26575 Scapania undulata Species Scapaniaceae Eukaryota UNPD*
NPO12205 Eucalyptus apodophylla Species Myrtaceae Eukaryota UNPD*
NPO13566 Hypoxylon serpens Species Xylariaceae Eukaryota UNPD*
NPO26375 Viburnum grandifolium Species Adoxaceae Eukaryota UNPD*
NPO8881 Centipeda minima Species Asteraceae Eukaryota TM-MC*
NPO26622 Taraxacum officinale Species Asteraceae Eukaryota TM-MC*
NPO18891 Stevia potrerensis Species Asteraceae Eukaryota UNPD*
NPO26872 Piper betle Species Piperaceae Eukaryota UNPD*
NPO8171 Artocarpus altilis Species Moraceae Eukaryota UNPD*
NPO7522 Streptomyces amakusaensis Species Streptomycetaceae Bacteria UNPD*
NPO20433 Garuga gamblei Species Burseraceae Eukaryota UNPD*
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota TM-MC*
NPO13668 Taraxacum platycarpum Species Asteraceae Eukaryota TM-MC*
NPO18394 Linaria purpurea Species Plantaginaceae Eukaryota UNPD*
NPO2175 Hyperbaena columbica Species Menispermaceae Eukaryota UNPD*
NPO1550 Talaromyces purpureogenus Species Trichocomaceae Eukaryota UNPD*
NPO9165 Asclepias curassavica Species Apocynaceae Eukaryota UNPD*
NPO1257 Distephanus angulifolius Species Asteraceae Eukaryota UNPD*
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota TM-MC*
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota TM-MC*
NPO9010 Lomatia silaifolia Species Proteaceae Eukaryota UNPD*
NPO1998 Premna serratifolia Species Lamiaceae Eukaryota UNPD*
NPO3608 Eleutherococcus giraldii Species Araliaceae Eukaryota UNPD*
NPO6289 Ceropegia dichotoma Species Apocynaceae Eukaryota UNPD*
NPO10038.2 Abies pinsapo var. tazaotana Varieties Pinaceae Eukaryota UNPD*
NPO27288 Citrus maxima Species Rutaceae Eukaryota TM-MC*
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota TM-MC*
NPO11224 Byrsonima microphylla Species Malpighiaceae Eukaryota UNPD*
NPO26178 Guarea glabra Species Meliaceae Eukaryota UNPD*
NPO313 Castilleja sulphurea Species Orobanchaceae Eukaryota UNPD*
NPO22433 Sideritis romana Species Lamiaceae Eukaryota UNPD*
NPO26818 Euphorbia kaleniczenkii Species Euphorbiaceae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMSP*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TM-MC*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO15108 Angiopteris evecta Species Marattiaceae Eukaryota UNPD*
NPO20419 Buxus wallichiana Species Buxaceae Eukaryota UNPD*
NPO18259 Chaetanthera chilensis Species Asteraceae Eukaryota UNPD*
NPO10837 Matthiola incana Species Brassicaceae Eukaryota UNPD*
NPO9571 Pseudobrickellia brasiliensis Species Asteraceae Eukaryota UNPD*
NPO13077 Amygdalus communis vas NA NA NA TCMSP*
NPO10082 Citrus unshiu Species Rutaceae Eukaryota TM-MC*
NPO3873 Crotalaria candicans Species Fabaceae Eukaryota UNPD*
NPO18964 Iva hayesiana Species Asteraceae Eukaryota UNPD*
NPO5747 Streptomyces rugosporus Species Streptomycetaceae Bacteria UNPD*
NPO7040 Sinularia parva Species Alcyoniidae Eukaryota UNPD*
NPO29146 Polygonatum kingianum Species Asparagaceae Eukaryota UNPD*
NPO29564 Farfarae flos NA NA NA TCMSP*
NPO22796 Cyperus rotundus Species Cyperaceae Eukaryota TM-MC*
NPO19739 Astragalus alexandri Species Fabaceae Eukaryota UNPD*
NPO16892 Helogyne hutchisonii NA NA NA UNPD*
NPO1155 Forsythia japonica Species Oleaceae Eukaryota UNPD*
NPO25617 Lactococcus lactis Species Streptococcaceae Bacteria UNPD*
NPO16010 Synoicum prunum Species Polyclinidae Eukaryota UNPD*
NPO9925 Rhododendron latoucheae Species Ericaceae Eukaryota UNPD*
NPO23624 Thalluslaminariae NA NA NA TCMSP*
NPO937 Limnodynastes terraereginae Species Myobatrachidae Eukaryota UNPD*
NPO1153 Crotalaria madurensis Species Fabaceae Eukaryota UNPD*
NPO12285 Cassipourea guianensis Species Rhizophoraceae Eukaryota UNPD*
NPO15695 Mikania vitifolia Species Asteraceae Eukaryota UNPD*
NPO14030 Alcyonium paessleri Species Alcyoniidae Eukaryota UNPD*
NPO1815 Breonia chinensis Species Rubiaceae Eukaryota UNPD*
NPO29575 Ardisiae japonicae herba NA NA NA TCMSP*
NPO20295 Eclipta prostrata Species Asteraceae Eukaryota TM-MC*
NPO647 Rhodotorula glutinis Species Sporidiobolaceae Eukaryota UNPD*
NPO12671 Croton zambesicus Species Euphorbiaceae Eukaryota PMID[17547457]
NPO10922 Pentaclethra macrophylla Species Fabaceae Eukaryota UNPD*
NPO18308 Saponaria officinalis Species Caryophyllaceae Eukaryota UNPD*
NPO8934 Gypsophila perfoliata Species Caryophyllaceae Eukaryota UNPD*
NPO29690 Leonuri herba NA NA NA TCMSP*
NPO26277 Euphorbia hirta Species Euphorbiaceae Eukaryota TM-MC*
NPO18640 Tectona grandis Species Lamiaceae Eukaryota UNPD*
NPO23252 Leptosyne bigelovii Species Asteraceae Eukaryota UNPD*
NPO19082 Creolophus cirrhatus Species Hericiaceae Eukaryota UNPD*
NPO27736 Melanochromis auratus Species Cichlidae Eukaryota UNPD*
NPO8455 Magnolia officinalis rehd et wils Species Magnoliaceae Eukaryota TCMSP*
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota TM-MC*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TM-MC*
NPO22674 Caulerpa racemosa Species Caulerpaceae Eukaryota PMID[25497963]
NPO19344 Sporormiella teretispora Species Sporormiaceae Eukaryota UNPD*
NPO11190 Veronica polita Species Plantaginaceae Eukaryota UNPD*
NPO16528 Psydrax dicoccos Species Rubiaceae Eukaryota UNPD*
NPO9941 Aauropi folium NA NA NA TCMSP*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO32468 tripolium vulgare Species Asteraceae Eukaryota PMID[25981689]
NPO17309 Halfordia scleroxyla Species Rutaceae Eukaryota UNPD*
NPO27860 Senecio portalesianus Species Asteraceae Eukaryota UNPD*
NPO21720 Talaromyces variabilis Species Trichocomaceae Eukaryota UNPD*
NPO17974 Sarcophyton subviride Species Orchidaceae Eukaryota UNPD*
NPO26439 Folium artemisiae argyi NA NA NA TCMSP*
NPO23548 Leonurus japonicus Species Lamiaceae Eukaryota TM-MC*
NPO3369 Anemone narcissiflora Species Ranunculaceae Eukaryota UNPD*
NPO18477 Celastrus scandens Species Celastraceae Eukaryota UNPD*
NPO17559 Coespeletia lutescens Species Asteraceae Eukaryota UNPD*
NPO12796 Periploca sepium Species Apocynaceae Eukaryota UNPD*
NPO19174 Anoplophora chinensis Species Cerambycidae Eukaryota UNPD*
NPO3330 Capsellae herba NA NA NA TCMSP*
NPO25114 Linum usitatissimum Species Linaceae Eukaryota TM-MC*
NPO29285 Dendrobium densiflorum Species Orchidaceae Eukaryota UNPD*
NPO5456 Juniperus drupacea Species Cupressaceae Eukaryota UNPD*
NPO3628 Solanum aethiopicum Species Solanaceae Eukaryota UNPD*
NPO17429 Teucrium creticum Species Lamiaceae Eukaryota UNPD*
NPO29546 Eriobotryae folium NA NA NA TCMSP*
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota TM-MC*
NPO11441 Barbacenia flava Species Velloziaceae Eukaryota UNPD*
NPO9532 Vernonia cistifolia Species Asteraceae Eukaryota UNPD*
NPO13137 Isodon flexicaulis Species Lamiaceae Eukaryota UNPD*
NPO5043 Eria japonica Species Orchidaceae Eukaryota UNPD*
NPO29631 Dichroae radix NA NA NA TCMSP*
NPO20930 Patrinia scabiosifolia Species Caprifoliaceae Eukaryota TM-MC*
NPO26360 Methysticodendron amesianum NA NA NA UNPD*
NPO18596 Melia dubia Species Meliaceae Eukaryota UNPD*
NPO4682 Lindera aggregata Species Lauraceae Eukaryota UNPD*
NPO20691 Echinocereus merkeri Species Cactaceae Eukaryota UNPD*
NPO4054 Lysimachiae foenigraeci herba NA NA NA TCMSP*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota TM-MC*
NPO9301 Dioscorea sativa Species Dioscoreaceae Eukaryota UNPD*
NPO6731 Ononis spinosa Species Fabaceae Eukaryota UNPD*
NPO526 Salvia sessei Species Lamiaceae Eukaryota UNPD*
NPO12767 Cassipourea gummiflua Species Rhizophoraceae Eukaryota UNPD*
NPO20523 Bacillus subtilis Species Bacillaceae Bacteria UNPD*
NPO29560 Carthami flos NA NA NA TCMSP*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TM-MC*
NPO4776 Cassia roxburghii Species Fabaceae Eukaryota UNPD*
NPO865 Dendrobium loddigesii Species Orchidaceae Eukaryota UNPD*
NPO11843 Stephania zippeliana Species Menispermaceae Eukaryota UNPD*
NPO10706 Bergenia hissarica Species Saxifragaceae Eukaryota UNPD*
NPO3724 Amomum neoaurantiacum Species Zingiberaceae Eukaryota TCMSP*
NPO17494 Prunella vulgaris Species Lamiaceae Eukaryota TM-MC*
NPO19008 Mentha cablin Species Lamiaceae Eukaryota UNPD*
NPO3680 Beilschmiedia obtusifolia Species Lauraceae Eukaryota UNPD*
NPO16219 Hyssopus lophanthoides Species Eulophidae Eukaryota UNPD*
NPO14318 Lespedeza davidii Species Fabaceae Eukaryota UNPD*
NPO29541 Allii tuberosi semen NA NA NA TCMSP*
NPO13524 Pyrola japonica Species Ericaceae Eukaryota TM-MC*
NPO22691 Mentha cardiaca Species Lamiaceae Eukaryota UNPD*
NPO18933 Phlegmariurus fordii Species Lycopodiaceae Eukaryota UNPD*
NPO14511 Lespedeza striata Species Fabaceae Eukaryota UNPD*
NPO7773 Crinum moorei Species Amaryllidaceae Eukaryota UNPD*
NPO12565 Hypericum polyanthemum Species Hypericaceae Eukaryota UNPD*
NPO18840 Platycladi cacumen NA NA NA TCMSP*
NPO21072 Rhododendron dauricum Species Ericaceae Eukaryota TM-MC*
NPO13135 Campylotropis hirtella Species Fabaceae Eukaryota UNPD*
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]
NPO23384 Rhodiola semenovii Species Crassulaceae Eukaryota UNPD*
NPO8349 Uga sinensis NA NA NA UNPD*
NPO10605 Tristania conferta Species Myrtaceae Eukaryota UNPD*
NPO29580 Tamaricis cacumen NA NA NA TCMSP*
NPO22229 Alternaria botrytis Species Pleosporaceae Eukaryota UNPD*
NPO19480 Laurencia nipponica Species Rhodomelaceae Eukaryota UNPD*
NPO19309 Ormosia flava Species Fabaceae Eukaryota UNPD*
NPO3753 Trichilia claussenii Species Meliaceae Eukaryota UNPD*
NPO7055 Lychnophora hakeaefolia Species Asteraceae Eukaryota UNPD*
NPO26707 Bidentis bipinnatae herba NA NA NA TCMSP*
NPO24626 Stevia origanoides Species Asteraceae Eukaryota UNPD*
NPO8996 Aplysina gerardogreeni Species Aplysinidae Eukaryota UNPD*
NPO28880 Aquilegia coerulea Species Ranunculaceae Eukaryota UNPD*
NPO28017 Aster altaicus Species Asteraceae Eukaryota UNPD*
NPO18567 Salvia clevelandi Species Lamiaceae Eukaryota UNPD*
NPO29605 Microctis folium NA NA NA TCMSP*
NPO26519 Acanthodoris nanaimoensis Species Onchidorididae Eukaryota UNPD*
NPO29313 Halomonas meridiana Species Halomonadaceae Bacteria UNPD*
NPO27685 Abuta concolor Species Menispermaceae Eukaryota UNPD*
NPO5158 Cecropia pachystachya Species Urticaceae Eukaryota UNPD*
NPO4408 Alstonia rostrata Species Apocynaceae Eukaryota UNPD*
NPO4361 Podostictina degelii Species Lobariaceae Eukaryota UNPD*
NPO17546 Torulaspora delbrueckii Species Saccharomycetaceae Eukaryota UNPD*
NPO1334 Senegalia catechu Species Fabaceae Eukaryota TM-MC*
NPO25939 Lupinus macounii Species Fabaceae Eukaryota UNPD*
NPO6475 Gymnosporia trigyna Species Celastraceae Eukaryota UNPD*
NPO11576 Glycosmis macrophylla Species Rutaceae Eukaryota UNPD*
NPO18762 Ilex microdonta Species Aquifoliaceae Eukaryota UNPD*
NPO19053 Pteris formosana Species Pteridaceae Eukaryota UNPD*
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota TM-MC*
NPO14922 Tarenna attenuata Species Rubiaceae Eukaryota UNPD*
NPO2704 Veratrum sabadilla Species Melanthiaceae Eukaryota UNPD*
NPO17173 Sporobolus alterniflorus Species Poaceae Eukaryota UNPD*
NPO2333 Micranthemum umbrosum Species Plantaginaceae Eukaryota UNPD*
NPO29581 Dalbergiae odoriferae lignum NA NA NA TCMSP*
NPO3578 Andrographis paniculata Species Acanthaceae Eukaryota TM-MC*
NPO29308 Mycobacterium marinum Species Mycobacteriaceae Bacteria UNPD*
NPO21629 Pometia eximia Species Sapindaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT177 Tissue Aorta Rattus norvegicus IC50 > 80000 nM 17547457
NPT177 Tissue Aorta Rattus norvegicus Activity = 81.4 % 17547457
NPT165 Cell Line HeLa Homo sapiens IC50 = 46600 nM 17547457
NPT83 Cell Line MCF7 Homo sapiens IC50 > 50 ug/ml 21109433
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 12.5 ug/ml 22280816
NPT2 Others Unspecified IC50 = 3620 nM 23484668
NPT2 Others Unspecified IC50 = 2020 nM 23484668
NPT2 Others Unspecified IC50 = 1220 nM 23484668
NPT911 Individual Protein Dual specificity phosphatase Cdc25B Homo sapiens Inhibition < 50 % 25497963
NPT1210 Individual Protein T-cell protein-tyrosine phosphatase Homo sapiens Inhibition < 50 % 25497963
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 = 32600 nM 25497963
NPT205 Individual Protein Protein-tyrosine phosphatase 1C Homo sapiens Inhibition < 50 % 25497963
NPT206 Individual Protein Protein-tyrosine phosphatase 2C Homo sapiens Inhibition < 50 % 25497963
NPT1870 Individual Protein Receptor-type tyrosine-protein phosphatase F (LAR) Homo sapiens Inhibition < 50 % 25497963
NPT2 Others Unspecified IC50 > 100000 nM 25497963
NPT81 Cell Line A549 Homo sapiens IC50 > 100000 nM 25497963
NPT75 Cell Line U251 Homo sapiens IC50 = 27800 nM 25981689
NPT148 Cell Line HCT-15 Homo sapiens IC50 = 22500 nM 25981689
NPT1535 Cell Line U-87 MG Homo sapiens IC50 = 8020 nM 25981689
NPT323 Cell Line SW-620 Homo sapiens IC50 = 5850 nM 25981689

  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 NPC26960 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 NPC182102
0.8679 High Similarity NPC11130
0.86 High Similarity NPC244038
0.8491 Intermediate Similarity NPC474643
0.8491 Intermediate Similarity NPC473865
0.8364 Intermediate Similarity NPC122239
0.8302 Intermediate Similarity NPC474644
0.8302 Intermediate Similarity NPC329686
0.8261 Intermediate Similarity NPC269823
0.8214 Intermediate Similarity NPC471081
0.8182 Intermediate Similarity NPC181872
0.8148 Intermediate Similarity NPC249645
0.8148 Intermediate Similarity NPC55412
0.8085 Intermediate Similarity NPC256766
0.8085 Intermediate Similarity NPC213538
0.8036 Intermediate Similarity NPC475931
0.7917 Intermediate Similarity NPC116934
0.7885 Intermediate Similarity NPC474495
0.7885 Intermediate Similarity NPC473672
0.7857 Intermediate Similarity NPC226848
0.7826 Intermediate Similarity NPC29091
0.7826 Intermediate Similarity NPC103213
0.7826 Intermediate Similarity NPC255042
0.7826 Intermediate Similarity NPC182840
0.7755 Intermediate Similarity NPC138935
0.7736 Intermediate Similarity NPC208638
0.7719 Intermediate Similarity NPC309825
0.7692 Intermediate Similarity NPC474460
0.7667 Intermediate Similarity NPC19569
0.7667 Intermediate Similarity NPC308844
0.7636 Intermediate Similarity NPC232247
0.7636 Intermediate Similarity NPC148216
0.7636 Intermediate Similarity NPC130209
0.7636 Intermediate Similarity NPC148163
0.7636 Intermediate Similarity NPC251666
0.7636 Intermediate Similarity NPC298299
0.76 Intermediate Similarity NPC269074
0.76 Intermediate Similarity NPC160628
0.76 Intermediate Similarity NPC24824
0.76 Intermediate Similarity NPC165651
0.76 Intermediate Similarity NPC210560
0.76 Intermediate Similarity NPC140501
0.7586 Intermediate Similarity NPC240506
0.7586 Intermediate Similarity NPC47840
0.7586 Intermediate Similarity NPC234264
0.7544 Intermediate Similarity NPC155025
0.75 Intermediate Similarity NPC309300
0.75 Intermediate Similarity NPC96663
0.7447 Intermediate Similarity NPC15934
0.7419 Intermediate Similarity NPC114651
0.7419 Intermediate Similarity NPC69649
0.7419 Intermediate Similarity NPC259299
0.7419 Intermediate Similarity NPC68703
0.7407 Intermediate Similarity NPC68014
0.7358 Intermediate Similarity NPC249670
0.7358 Intermediate Similarity NPC474642
0.7358 Intermediate Similarity NPC473913
0.7358 Intermediate Similarity NPC329773
0.7333 Intermediate Similarity NPC473508
0.7333 Intermediate Similarity NPC473759
0.7333 Intermediate Similarity NPC124112
0.7333 Intermediate Similarity NPC474155
0.7302 Intermediate Similarity NPC305698
0.7302 Intermediate Similarity NPC224532
0.7288 Intermediate Similarity NPC99487
0.7288 Intermediate Similarity NPC66020
0.7288 Intermediate Similarity NPC176621
0.7273 Intermediate Similarity NPC474496
0.7255 Intermediate Similarity NPC87439
0.7213 Intermediate Similarity NPC475704
0.7213 Intermediate Similarity NPC300593
0.7193 Intermediate Similarity NPC48891
0.7188 Intermediate Similarity NPC239373
0.7188 Intermediate Similarity NPC329989
0.7174 Intermediate Similarity NPC92224
0.717 Intermediate Similarity NPC85079
0.717 Intermediate Similarity NPC248884
0.717 Intermediate Similarity NPC31194
0.7167 Intermediate Similarity NPC225342
0.7167 Intermediate Similarity NPC210346
0.7167 Intermediate Similarity NPC274704
0.7167 Intermediate Similarity NPC321867
0.7167 Intermediate Similarity NPC207007
0.7167 Intermediate Similarity NPC68679
0.7143 Intermediate Similarity NPC73603
0.7115 Intermediate Similarity NPC180575
0.7115 Intermediate Similarity NPC55063
0.7115 Intermediate Similarity NPC19834
0.7097 Intermediate Similarity NPC187619
0.7091 Intermediate Similarity NPC35756
0.7077 Intermediate Similarity NPC4299
0.7077 Intermediate Similarity NPC34834
0.7077 Intermediate Similarity NPC189745
0.7049 Intermediate Similarity NPC279200
0.7037 Intermediate Similarity NPC471281
0.7037 Intermediate Similarity NPC199286
0.7037 Intermediate Similarity NPC477727
0.7037 Intermediate Similarity NPC72699
0.7018 Intermediate Similarity NPC227135
0.7018 Intermediate Similarity NPC281590
0.7018 Intermediate Similarity NPC223604
0.7 Intermediate Similarity NPC304151
0.6984 Remote Similarity NPC162309
0.6984 Remote Similarity NPC135650
0.6984 Remote Similarity NPC267027
0.6984 Remote Similarity NPC311736
0.6984 Remote Similarity NPC202017
0.6984 Remote Similarity NPC326310
0.697 Remote Similarity NPC472254
0.697 Remote Similarity NPC471662
0.6935 Remote Similarity NPC96793
0.6935 Remote Similarity NPC110241
0.6935 Remote Similarity NPC225415
0.6935 Remote Similarity NPC290367
0.6935 Remote Similarity NPC323424
0.6935 Remote Similarity NPC107540
0.6923 Remote Similarity NPC471560
0.6923 Remote Similarity NPC101622
0.6923 Remote Similarity NPC76976
0.6909 Remote Similarity NPC76198
0.6909 Remote Similarity NPC9273
0.6909 Remote Similarity NPC165447
0.6909 Remote Similarity NPC170776
0.6909 Remote Similarity NPC197272
0.6909 Remote Similarity NPC475477
0.6909 Remote Similarity NPC224148
0.6909 Remote Similarity NPC151782
0.6909 Remote Similarity NPC256656
0.6909 Remote Similarity NPC471959
0.6909 Remote Similarity NPC477723
0.6909 Remote Similarity NPC89824
0.6909 Remote Similarity NPC55383
0.6909 Remote Similarity NPC294278
0.6909 Remote Similarity NPC329608
0.6897 Remote Similarity NPC4881
0.6885 Remote Similarity NPC475251
0.6885 Remote Similarity NPC469728
0.6875 Remote Similarity NPC163290
0.6875 Remote Similarity NPC266298
0.6875 Remote Similarity NPC136813
0.6875 Remote Similarity NPC477791
0.6875 Remote Similarity NPC171225
0.6866 Remote Similarity NPC474743
0.6866 Remote Similarity NPC329763
0.6852 Remote Similarity NPC62755
0.6852 Remote Similarity NPC471275
0.6852 Remote Similarity NPC153538
0.6852 Remote Similarity NPC471276
0.6852 Remote Similarity NPC125122
0.6852 Remote Similarity NPC471280
0.6852 Remote Similarity NPC267110
0.6833 Remote Similarity NPC473866
0.6825 Remote Similarity NPC107258
0.6825 Remote Similarity NPC477009
0.6825 Remote Similarity NPC238352
0.6818 Remote Similarity NPC286154
0.68 Remote Similarity NPC188596
0.6792 Remote Similarity NPC124183
0.6792 Remote Similarity NPC35141
0.6786 Remote Similarity NPC294358
0.6786 Remote Similarity NPC306195
0.6786 Remote Similarity NPC35519
0.6786 Remote Similarity NPC157781
0.6786 Remote Similarity NPC40417
0.6786 Remote Similarity NPC179169
0.6786 Remote Similarity NPC181255
0.678 Remote Similarity NPC52012
0.6774 Remote Similarity NPC474480
0.6769 Remote Similarity NPC96484
0.6769 Remote Similarity NPC167527
0.6765 Remote Similarity NPC306727
0.6765 Remote Similarity NPC201048
0.6765 Remote Similarity NPC471659
0.6765 Remote Similarity NPC476366
0.6731 Remote Similarity NPC101616
0.6731 Remote Similarity NPC108195
0.6727 Remote Similarity NPC475071
0.6727 Remote Similarity NPC131623
0.6721 Remote Similarity NPC130807
0.6721 Remote Similarity NPC127824
0.6719 Remote Similarity NPC250977
0.6719 Remote Similarity NPC149680
0.6719 Remote Similarity NPC259156
0.6719 Remote Similarity NPC286669
0.6719 Remote Similarity NPC272125
0.6719 Remote Similarity NPC242945
0.6719 Remote Similarity NPC222366
0.6719 Remote Similarity NPC476039
0.6716 Remote Similarity NPC474884
0.6667 Remote Similarity NPC217188
0.6667 Remote Similarity NPC194586
0.6667 Remote Similarity NPC67761
0.6667 Remote Similarity NPC69383
0.6667 Remote Similarity NPC206906
0.6667 Remote Similarity NPC180871
0.6667 Remote Similarity NPC51758
0.6667 Remote Similarity NPC68889
0.6667 Remote Similarity NPC473893
0.6667 Remote Similarity NPC474248
0.6667 Remote Similarity NPC149668

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC26960 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
0.8148 Intermediate Similarity NPD4219 Approved
0.7636 Intermediate Similarity NPD342 Phase 1
0.76 Intermediate Similarity NPD4265 Approved
0.7167 Intermediate Similarity NPD368 Approved
0.6667 Remote Similarity NPD8264 Approved
0.6613 Remote Similarity NPD4192 Approved
0.6613 Remote Similarity NPD4191 Approved
0.6613 Remote Similarity NPD4193 Approved
0.6613 Remote Similarity NPD4194 Approved
0.6418 Remote Similarity NPD6923 Approved
0.6418 Remote Similarity NPD6922 Approved
0.6406 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6389 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6327 Remote Similarity NPD319 Phase 1
0.6324 Remote Similarity NPD7143 Approved
0.6324 Remote Similarity NPD7144 Approved
0.625 Remote Similarity NPD5776 Phase 2
0.625 Remote Similarity NPD6925 Approved
0.6232 Remote Similarity NPD7150 Approved
0.6232 Remote Similarity NPD7152 Approved
0.6232 Remote Similarity NPD7151 Approved
0.6216 Remote Similarity NPD7332 Phase 2
0.6216 Remote Similarity NPD7514 Phase 3
0.6164 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6164 Remote Similarity NPD7145 Approved
0.6133 Remote Similarity NPD6902 Approved
0.6081 Remote Similarity NPD6929 Approved
0.6061 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6056 Remote Similarity NPD6924 Approved
0.6056 Remote Similarity NPD6926 Approved
0.6 Remote Similarity NPD6931 Approved
0.6 Remote Similarity NPD4821 Approved
0.6 Remote Similarity NPD4822 Approved
0.6 Remote Similarity NPD3210 Clinical (unspecified phase)
0.6 Remote Similarity NPD6930 Phase 2
0.6 Remote Similarity NPD4819 Approved
0.6 Remote Similarity NPD4820 Approved
0.5974 Remote Similarity NPD5331 Approved
0.5974 Remote Similarity NPD7154 Phase 3
0.5974 Remote Similarity NPD5332 Approved
0.5974 Remote Similarity NPD5362 Discontinued
0.5972 Remote Similarity NPD7339 Approved
0.5972 Remote Similarity NPD6942 Approved
0.5965 Remote Similarity NPD4220 Pre-registration
0.5965 Remote Similarity NPD8262 Approved
0.5946 Remote Similarity NPD4268 Approved
0.5946 Remote Similarity NPD4271 Approved
0.5938 Remote Similarity NPD4246 Clinical (unspecified phase)
0.5921 Remote Similarity NPD4790 Discontinued
0.5921 Remote Similarity NPD6898 Phase 1
0.5915 Remote Similarity NPD4732 Discontinued
0.589 Remote Similarity NPD6933 Approved
0.5862 Remote Similarity NPD2268 Discontinued
0.5844 Remote Similarity NPD4270 Approved
0.5844 Remote Similarity NPD4269 Approved
0.5811 Remote Similarity NPD6932 Approved
0.5789 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5789 Remote Similarity NPD4252 Approved
0.5769 Remote Similarity NPD5783 Phase 3
0.5769 Remote Similarity NPD6695 Phase 3
0.5763 Remote Similarity NPD6927 Phase 3
0.5735 Remote Similarity NPD7331 Phase 2
0.5696 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5696 Remote Similarity NPD7338 Clinical (unspecified phase)
0.5676 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5658 Remote Similarity NPD7645 Phase 2
0.5658 Remote Similarity NPD6683 Phase 2
0.5625 Remote Similarity NPD5363 Approved
0.5625 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5625 Remote Similarity NPD6893 Approved

Structure

External Identifiers

PubChem CID   5280435
ChEMBL   CHEMBL1644111
ZINC  

Physicochemical Properties

Molecular Weight:  296.31
ALogP:  1.7816
MLogP:  3.55
XLogP:  8.949
# Rotatable Bonds:  19
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  21

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Similar NPs/Drugs