Natural Product: NPC204120

Natural Product ID:  NPC204120
Common Name:   5'-Metoxy Eugenol
IUPAC Name:   1,2,3-trimethoxy-5-prop-2-enylbenzene
Synonyms:   5'-Metoxy Eugenol
Molecular Formula:   C12H16O3
Standard InCHIKey:  BPLQKQKXWHCZSS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3
Canonical SMILES:  C=CCc1cc(OC)c(c(c1)OC)OC
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
NPO746 Panax innovans Species Araliaceae Eukaryota UNPD*
NPO29414 Schizonepetae herba NA NA NA TCMSP*
NPO6473.1 Perilla frutescens var. acuta Varieties Lamiaceae Eukaryota TCMID*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TCMID*
NPO24109 Armillaria edodes Species Physalacriaceae Eukaryota UNPD*
NPO24159 Fructus amomi NA NA NA HerDing*
NPO19174 Anoplophora chinensis Species Cerambycidae Eukaryota UNPD*
NPO19928 Lachnoanaerobaculum saburreum Species Lachnospiraceae Bacteria UNPD*
NPO11262 Alpinia katsumadai hayat Species Staphylinidae Eukaryota TCMSP*
NPO14199 Cymbopogon procerus Species Poaceae Eukaryota TCMID*
NPO4539 Ipomoea cristulata Species Convolvulaceae Eukaryota UNPD*
NPO1382 Hyptis tomentosa Species Lamiaceae Eukaryota UNPD*
NPO25534 Macropiper excelsum Species Piperaceae Eukaryota HerDing*
NPO28409 Lens phaseoloides Species Fabaceae Eukaryota UNPD*
NPO12357 Lycopus europaeus Species Lamiaceae Eukaryota UNPD*
NPO20120 Asari radix et rhizoma NA NA NA TCMSP*
NPO12509 Dipterocarpus dyeri Species Dipterocarpaceae Eukaryota UNPD*
NPO13968 Garcinia scortechinii Species Clusiaceae Eukaryota UNPD*
NPO26589 Artemisia annua Species Asteraceae Eukaryota HerDing*
NPO13014 Ipomoea cairica Species Convolvulaceae Eukaryota UNPD*
NPO9571 Pseudobrickellia brasiliensis Species Asteraceae Eukaryota UNPD*
NPO1753 Schisandrae chinensis fructus NA NA NA TCMSP*
NPO8892 Sordaria araneosa Species Sordariaceae Eukaryota UNPD*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota UNPD*
NPO28473 Piper banksii Species Piperaceae Eukaryota HerDing*
NPO313 Castilleja sulphurea Species Orobanchaceae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota HerDing*
NPO24395 Diospyros melanoxylon Species Ebenaceae Eukaryota UNPD*
NPO22653 Ecionemia geodides Species Ancorinidae Eukaryota UNPD*
NPO25682 Acorus calamus Species Acoraceae Eukaryota TM-MC*
NPO13766 Ceanothus velutinus Species Rhamnaceae Eukaryota UNPD*
NPO11998 Ledebouria socialis Species Hyacinthaceae Eukaryota UNPD*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota HerDing*
NPO5746 Pancratium trianthum Species Amaryllidaceae Eukaryota UNPD*
NPO6113 Piper pedicellosum Species Piperaceae Eukaryota UNPD*
NPO5681 Acorus gramineus Species Acoraceae Eukaryota TM-MC*
NPO8303 Catalpa bignonioides Species Bignoniaceae Eukaryota UNPD*
NPO10550 Artemisia hanseniana Species Asteraceae Eukaryota UNPD*
NPO30603 Saussurea lappa NA NA NA HerDing*
NPO14057 Apollonias barbujana Species Lauraceae Eukaryota UNPD*
NPO3939 Ardisia arborescens Species Primulaceae Eukaryota UNPD*
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota TM-MC*
NPO11492 Kopsia grandifolia Species Apocynaceae Eukaryota UNPD*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota Lloydia,1972,35: 440-449
NPO31187 Rabdosia rubescens Species Lamiaceae Eukaryota HerDing*
NPO8532 Helipterum tenellum Species Asteraceae Eukaryota UNPD*
NPO5191 Penicillium cinerascens Species Aspergillaceae Eukaryota UNPD*
NPO12468 Asarum heterotropoides Species Aristolochiaceae Eukaryota TM-MC*
NPO3465 Aconitum leucostomum Species Ranunculaceae Eukaryota UNPD*
NPO3392 Agastache rugosus Species Lamiaceae Eukaryota HerDing*
NPO13467 Anarsia lineatella Species Gelechiidae Eukaryota UNPD*
NPO1155 Forsythia japonica Species Oleaceae Eukaryota UNPD*
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota TM-MC*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMID*
NPO14126 Garcinia oligantha Species Clusiaceae Eukaryota UNPD*
NPO4865 Piper kadsura Species Piperaceae Eukaryota TCM_Taiwan*
NPO4671 Persea mexicana Species Lauraceae Eukaryota UNPD*
NPO16552 Aromia moschata Species Cerambycidae Eukaryota UNPD*
NPO4659 Asiasarum heterotropoides NA NA NA TM-MC*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TCMID*
NPO5162 Comaster multifida Species Comatulidae Eukaryota UNPD*
NPO4865 Piper kadsura Species Piperaceae Eukaryota HerDing*
NPO16877 Aconitum episcopale Species Ranunculaceae Eukaryota UNPD*
NPO29078 Asiasarum sieboldii NA NA NA TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota TCMID*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota HerDing*
NPO12468 Asarum heterotropoides Species Aristolochiaceae Eukaryota TCM_Taiwan*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota TCM_Taiwan*
NPO490 Lophozonia menziesii Species Nothofagaceae Eukaryota UNPD*
NPO15373 Actaea dahurica Species Ranunculaceae Eukaryota TM-MC*
NPO28626 Isodon rubescens Species Lamiaceae Eukaryota TCMID*
NPO12468.1 Asarum heterotropoides var. mandshuricum Varieties Aristolochiaceae Eukaryota HerDing*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota HerDing*
NPO6475 Gymnosporia trigyna Species Celastraceae Eukaryota UNPD*
NPO15890 Actaea cimicifuga Species Ranunculaceae Eukaryota TM-MC*
NPO12519 Asarum caulescens Species Aristolochiaceae Eukaryota TCMID*
NPO12468.2 Asarum heterotropoides f. schm. var. mandshuricum (maxim.) kitag. Varieties Aristolochiaceae Eukaryota TCM_Taiwan*
NPO5279 Canarium commune Species Strombidae Eukaryota HerDing*
NPO7909 Parmelia vittata Species Parmeliaceae Eukaryota UNPD*
NPO389 Actaea heracleifolia Species Ranunculaceae Eukaryota TM-MC*
NPO4865 Piper kadsura Species Piperaceae Eukaryota TCMID*
NPO12519 Asarum caulescens Species Aristolochiaceae Eukaryota HerDing*
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota HerDing*
NPO7016 Gardenia tubifera Species Rubiaceae Eukaryota UNPD*
NPO2727 Actaea simplex Species Ranunculaceae Eukaryota TM-MC*
NPO28473 Piper banksii Species Piperaceae Eukaryota TCMID*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCM_Taiwan*
NPO6473.1 Perilla frutescens var. acuta Varieties Lamiaceae Eukaryota HerDing*
NPO16703 Isodon lophanthoides Species Lamiaceae Eukaryota UNPD*
NPO5334 Rhodotypos scandens Species Rosaceae Eukaryota UNPD*
NPO23372 Rhizoma arisaema cum bile NA NA NA TCMID*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota HerDing*
NPO6565 Cymbopogon goeringii Species Poaceae Eukaryota HerDing*
NPO15193 Cacia concinna NA NA NA UNPD*
NPO15902 Iris spuria Species Iridaceae Eukaryota UNPD*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota TM-MC*
NPO25534 Macropiper excelsum Species Piperaceae Eukaryota TCMID*
NPO14148.1 Panax pseudo - ginseng var. notoginseng Varieties Araliaceae Eukaryota HerDing*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota HerDing*
NPO9480 Huperzia miyoshiana Species Lycopodiaceae Eukaryota UNPD*
NPO9301 Dioscorea sativa Species Dioscoreaceae Eukaryota UNPD*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota TM-MC*
NPO20107 Asarum forbesii Species Aristolochiaceae Eukaryota TCMID*
NPO14199 Cymbopogon procerus Species Poaceae Eukaryota HerDing*
NPO2665 Andinobates fulguritus Species Dendrobatidae Eukaryota UNPD*
NPO9962 Pocillopora damicornis Species Pocilloporidae Eukaryota UNPD*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TM-MC*
NPO12468.1 Asarum heterotropoides var. mandshuricum Varieties Aristolochiaceae Eukaryota TCMID*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota HerDing*
NPO8068 Blumea mollis Species Asteraceae Eukaryota UNPD*
NPO205 Lasianthus fordii Species Rubiaceae Eukaryota UNPD*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO8650.2 Perilla frutescens var. crispa Varieties Lamiaceae Eukaryota TCMID*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota HerDing*
NPO7393 Esenbeckia nesiotica Species Rutaceae Eukaryota UNPD*
NPO7205 Fructus carotae NA NA NA TCMSP*
NPO21485 Polygala sibirica Species Polygalaceae Eukaryota TM-MC*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota TCMID*
NPO5279 Canarium commune Species Strombidae Eukaryota TCMID*
NPO163 Daucus carota Species Apiaceae Eukaryota TCM_Taiwan*
NPO1795 Fragaria vesca Species Rosaceae Eukaryota UNPD*
NPO29571 Magnoliae flos NA NA NA TCMSP*
NPO27260 Polygala tenuifolia Species Polygalaceae Eukaryota TM-MC*
NPO16039 Scutellaria barbata Species Lamiaceae Eukaryota TM-MC*
NPO26589 Artemisia annua Species Asteraceae Eukaryota TCMID*
NPO163 Daucus carota Species Apiaceae Eukaryota HerDing*
NPO14162 Chlorophytum borivilianum Species Asparagaceae Eukaryota UNPD*
NPO5946 Caryophylliflos NA NA NA TCMSP*
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota TCMID*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TCMID*
NPO17191 Dryobalanops aromatica Species Dipterocarpaceae Eukaryota HerDing*
NPO14358 Rhodobacter sphaeroides Species Rhodobacteraceae Bacteria UNPD*
NPO29659 Myristicae semen NA NA NA TCMSP*
NPO8789 Schizonepeta tenuifolia Species Lamiaceae Eukaryota TCMID*
NPO3392 Agastache rugosus Species Lamiaceae Eukaryota TCMID*
NPO17724 Cinnamomum glanduliferum Species Lauraceae Eukaryota TCM_Taiwan*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TCM_Taiwan*
NPO7237 Xanthostemon oppositifolius Species Myrtaceae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMSP*
NPO17191 Dryobalanops aromatica Species Dipterocarpaceae Eukaryota TCMID*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota HerDing*
NPO8650.2 Perilla frutescens var. crispa Varieties Lamiaceae Eukaryota HerDing*
NPO17811 Cephalonoplos segetum Species Asteraceae Eukaryota UNPD*
NPO9462 Ligustici rhizoma et radix NA NA NA TCMSP*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TCMID*
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota TCMID*
NPO20107 Asarum forbesii Species Aristolochiaceae Eukaryota TCM_Taiwan*
NPO8650.3 Perilla frutescens (l.) britt. var. crispa (thunb.) hand.-mazz. Varieties Lamiaceae Eukaryota TCM_Taiwan*
NPO13926 Protaetia cuprea Species Scarabaeidae Eukaryota UNPD*
NPO12028 Acori tataninowii rhizoma NA NA NA TCMSP*
NPO17724 Cinnamomum glanduliferum Species Lauraceae Eukaryota TCMID*
NPO6565 Cymbopogon goeringii Species Poaceae Eukaryota TCMID*
NPO20107 Asarum forbesii Species Aristolochiaceae Eukaryota HerDing*
NPO8789 Schizonepeta tenuifolia Species Lamiaceae Eukaryota HerDing*
NPO4682 Lindera aggregata Species Lauraceae Eukaryota UNPD*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO20705 Fructus amomi rotundus NA NA NA TCMID*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMID*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota HerDing*
NPO4004 Aquilegia ecalcarata Species Ranunculaceae Eukaryota UNPD*
NPO3741 Pagrus major Species Sparidae Eukaryota UNPD*
NPO29618 Citri grandis exocarpium NA NA NA TCMSP*
NPO24256 Athrotaxis selaginoides Species Cupressaceae Eukaryota UNPD*
NPO29546 Eriobotryae folium NA NA NA TCMSP*
NPO20851 Croton nepetaefolius Species Euphorbiaceae Eukaryota TCMID*
NPO14105.2 Panax pseudo-ginseng var. notoginseng Varieties Araliaceae Eukaryota TCMID*
NPO20851 Croton nepetaefolius Species Euphorbiaceae Eukaryota TCM_Taiwan*
NPO745 Rubus trifidus Species Rosaceae Eukaryota UNPD*
NPO16119 Eucalyptus hybrid Species Myrtaceae Eukaryota UNPD*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TCMSP*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TCMID*
NPO25825 Saussurea costus Species Asteraceae Eukaryota TCMID*
NPO20851 Croton nepetaefolius Species Euphorbiaceae Eukaryota HerDing*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota UNPD*
NPO9925 Rhododendron latoucheae Species Ericaceae Eukaryota UNPD*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TCMID*
NPO163 Daucus carota Species Apiaceae Eukaryota TCMID*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota HerDing*
NPO7522 Streptomyces amakusaensis Species Streptomycetaceae Bacteria UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1819 Organism Microsporum canis Arthroderma otae MIC > 50 ug/ml 10543891
NPT327 Organism Microsporum gypseum Microsporum gypseum MIC > 50 ug/ml 10543891
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes MIC > 50 ug/ml 10543891
NPT329 Organism Trichophyton rubrum Trichophyton rubrum MIC > 50 ug/ml 10543891
NPT328 Organism Epidermophyton floccosum Epidermophyton floccosum MIC > 50 ug/ml 10543891

  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 NPC204120 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
0.981 High Similarity NPC203924
0.9619 High Similarity NPC165386
0.9459 High Similarity NPC254625
0.9459 High Similarity NPC308217
0.9459 High Similarity NPC15805
0.9459 High Similarity NPC475961
0.9455 High Similarity NPC304208
0.9455 High Similarity NPC52464
0.9369 High Similarity NPC63083
0.9364 High Similarity NPC123948
0.9292 High Similarity NPC472596
0.9286 High Similarity NPC20674
0.9286 High Similarity NPC119949
0.9211 High Similarity NPC477886
0.9196 High Similarity NPC474612
0.9143 High Similarity NPC292792
0.913 High Similarity NPC261661
0.9107 High Similarity NPC259638
0.9107 High Similarity NPC33271
0.9052 High Similarity NPC282496
0.9052 High Similarity NPC233526
0.9043 High Similarity NPC49341
0.9043 High Similarity NPC285289
0.9035 High Similarity NPC222175
0.9018 High Similarity NPC193067
0.8966 High Similarity NPC264885
0.8966 High Similarity NPC270326
0.8966 High Similarity NPC41562
0.8966 High Similarity NPC194626
0.8957 High Similarity NPC166759
0.8957 High Similarity NPC199023
0.8952 High Similarity NPC12714
0.8952 High Similarity NPC310905
0.8899 High Similarity NPC82016
0.8898 High Similarity NPC251855
0.8898 High Similarity NPC208950
0.8898 High Similarity NPC117214
0.8898 High Similarity NPC60885
0.8898 High Similarity NPC193544
0.8898 High Similarity NPC105925
0.8898 High Similarity NPC233410
0.8898 High Similarity NPC234400
0.8898 High Similarity NPC57490
0.8898 High Similarity NPC475169
0.8898 High Similarity NPC17943
0.8898 High Similarity NPC116907
0.8898 High Similarity NPC203133
0.8898 High Similarity NPC472093
0.8898 High Similarity NPC298757
0.8898 High Similarity NPC221077
0.8889 High Similarity NPC165375
0.8889 High Similarity NPC228922
0.8889 High Similarity NPC220598
0.8889 High Similarity NPC197757
0.887 High Similarity NPC229401
0.887 High Similarity NPC474565
0.8824 High Similarity NPC223136
0.8824 High Similarity NPC44748
0.8824 High Similarity NPC223953
0.8824 High Similarity NPC103823
0.8824 High Similarity NPC50683
0.8824 High Similarity NPC28730
0.8824 High Similarity NPC214406
0.8824 High Similarity NPC285725
0.8824 High Similarity NPC18924
0.8824 High Similarity NPC112571
0.8824 High Similarity NPC78974
0.8818 High Similarity NPC137685
0.8818 High Similarity NPC2682
0.8814 High Similarity NPC191768
0.8814 High Similarity NPC283170
0.8814 High Similarity NPC5796
0.8814 High Similarity NPC183446
0.8814 High Similarity NPC206487
0.8814 High Similarity NPC105513
0.8814 High Similarity NPC92869
0.8803 High Similarity NPC71579
0.8803 High Similarity NPC288238
0.8803 High Similarity NPC262253
0.8803 High Similarity NPC473411
0.8783 High Similarity NPC135961
0.875 High Similarity NPC242032
0.875 High Similarity NPC74817
0.875 High Similarity NPC246620
0.875 High Similarity NPC82679
0.875 High Similarity NPC124452
0.875 High Similarity NPC324112
0.875 High Similarity NPC293054
0.875 High Similarity NPC169474
0.875 High Similarity NPC474119
0.875 High Similarity NPC127587
0.875 High Similarity NPC236791
0.875 High Similarity NPC210355
0.875 High Similarity NPC282000
0.875 High Similarity NPC159968
0.8739 High Similarity NPC265483
0.8739 High Similarity NPC299584
0.8739 High Similarity NPC82483
0.8739 High Similarity NPC173608
0.8729 High Similarity NPC136319
0.8729 High Similarity NPC108545
0.8718 High Similarity NPC75713
0.8718 High Similarity NPC310373
0.8716 High Similarity NPC258171
0.8716 High Similarity NPC35543
0.8707 High Similarity NPC10932
0.8707 High Similarity NPC247364
0.8707 High Similarity NPC232084
0.8707 High Similarity NPC61516
0.8684 High Similarity NPC141090
0.8684 High Similarity NPC221049
0.8678 High Similarity NPC222127
0.8678 High Similarity NPC31707
0.8678 High Similarity NPC186843
0.8678 High Similarity NPC82862
0.8678 High Similarity NPC470213
0.8678 High Similarity NPC98631
0.8678 High Similarity NPC210674
0.8678 High Similarity NPC154866
0.8678 High Similarity NPC206615
0.8667 High Similarity NPC186845
0.8667 High Similarity NPC76451
0.8667 High Similarity NPC244364
0.8667 High Similarity NPC9891
0.8667 High Similarity NPC88297
0.8655 High Similarity NPC228972
0.8655 High Similarity NPC122792
0.8649 High Similarity NPC303521
0.8649 High Similarity NPC168657
0.8644 High Similarity NPC211231
0.8636 High Similarity NPC245115
0.8621 High Similarity NPC226629
0.8609 High Similarity NPC474933
0.8607 High Similarity NPC190144
0.8607 High Similarity NPC210623
0.8607 High Similarity NPC470258
0.8607 High Similarity NPC285339
0.8607 High Similarity NPC469963
0.8607 High Similarity NPC273295
0.8607 High Similarity NPC3439
0.8607 High Similarity NPC218856
0.8607 High Similarity NPC170844
0.8607 High Similarity NPC190629
0.8607 High Similarity NPC476968
0.8607 High Similarity NPC474227
0.8607 High Similarity NPC202582
0.8607 High Similarity NPC222004
0.8607 High Similarity NPC58164
0.8607 High Similarity NPC226788
0.8607 High Similarity NPC469951
0.8607 High Similarity NPC10225
0.8595 High Similarity NPC473092
0.8595 High Similarity NPC202904
0.8595 High Similarity NPC266555
0.8595 High Similarity NPC8050
0.8595 High Similarity NPC189248
0.8595 High Similarity NPC473093
0.8595 High Similarity NPC291847
0.8595 High Similarity NPC471986
0.8584 High Similarity NPC165106
0.8583 High Similarity NPC64391
0.8583 High Similarity NPC27352
0.8571 High Similarity NPC121115
0.8571 High Similarity NPC173746
0.8571 High Similarity NPC84086
0.8571 High Similarity NPC156840
0.8571 High Similarity NPC238810
0.8571 High Similarity NPC8547
0.8571 High Similarity NPC257124
0.8571 High Similarity NPC95168
0.8559 High Similarity NPC470804
0.8547 High Similarity NPC148615
0.8547 High Similarity NPC177475
0.8547 High Similarity NPC35071
0.8545 High Similarity NPC227894
0.8537 High Similarity NPC472338
0.8537 High Similarity NPC126836
0.8537 High Similarity NPC63574
0.8537 High Similarity NPC311680
0.8537 High Similarity NPC51840
0.8537 High Similarity NPC307042
0.8537 High Similarity NPC224157
0.8537 High Similarity NPC476399
0.8537 High Similarity NPC234488
0.8537 High Similarity NPC299221
0.8537 High Similarity NPC79184
0.8537 High Similarity NPC192687
0.8534 High Similarity NPC255675
0.8525 High Similarity NPC149008
0.8525 High Similarity NPC54321
0.8525 High Similarity NPC328682
0.8525 High Similarity NPC474623
0.8525 High Similarity NPC474651
0.8525 High Similarity NPC28765
0.8525 High Similarity NPC207702
0.8525 High Similarity NPC283114
0.8525 High Similarity NPC281864
0.8512 High Similarity NPC112596
0.8512 High Similarity NPC127604
0.8512 High Similarity NPC473960

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC204120 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
0.8803 High Similarity NPD2981 Phase 2
0.8729 High Similarity NPD2982 Phase 2
0.8729 High Similarity NPD2983 Phase 2
0.8607 High Similarity NPD3027 Phase 3
0.8595 High Similarity NPD3018 Phase 2
0.8584 High Similarity NPD5283 Phase 1
0.8571 High Similarity NPD228 Approved
0.825 Intermediate Similarity NPD3705 Approved
0.808 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8062 Intermediate Similarity NPD6111 Discontinued
0.8 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7983 Intermediate Similarity NPD5536 Phase 2
0.7969 Intermediate Similarity NPD1613 Approved
0.7969 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7939 Intermediate Similarity NPD3539 Phase 1
0.7879 Intermediate Similarity NPD3540 Phase 1
0.7851 Intermediate Similarity NPD1357 Approved
0.7826 Intermediate Similarity NPD2684 Approved
0.7778 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7769 Intermediate Similarity NPD1548 Phase 1
0.7721 Intermediate Similarity NPD7124 Phase 2
0.7661 Intermediate Similarity NPD1610 Phase 2
0.7611 Intermediate Similarity NPD846 Approved
0.7611 Intermediate Similarity NPD940 Approved
0.7586 Intermediate Similarity NPD1358 Approved
0.7563 Intermediate Similarity NPD7843 Approved
0.754 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.754 Intermediate Similarity NPD4749 Approved
0.7522 Intermediate Similarity NPD1242 Phase 1
0.7521 Intermediate Similarity NPD7157 Approved
0.752 Intermediate Similarity NPD422 Phase 1
0.7519 Intermediate Similarity NPD4908 Phase 1
0.7519 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD2219 Phase 1
0.75 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7482 Intermediate Similarity NPD1424 Approved
0.7458 Intermediate Similarity NPD5451 Approved
0.7436 Intermediate Similarity NPD290 Approved
0.7429 Intermediate Similarity NPD1349 Approved
0.7429 Intermediate Similarity NPD1350 Approved
0.7429 Intermediate Similarity NPD1351 Approved
0.7424 Intermediate Similarity NPD1558 Phase 1
0.741 Intermediate Similarity NPD5297 Approved
0.741 Intermediate Similarity NPD4357 Discontinued
0.7405 Intermediate Similarity NPD5109 Approved
0.7405 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD5718 Phase 2
0.7405 Intermediate Similarity NPD5110 Phase 2
0.7405 Intermediate Similarity NPD5111 Phase 2
0.7398 Intermediate Similarity NPD1408 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD1375 Discontinued
0.735 Intermediate Similarity NPD3134 Approved
0.7348 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD2674 Phase 3
0.7344 Intermediate Similarity NPD2922 Phase 1
0.7339 Intermediate Similarity NPD7534 Approved
0.7339 Intermediate Similarity NPD7533 Approved
0.7328 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD4625 Phase 3
0.7305 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.728 Intermediate Similarity NPD1651 Approved
0.728 Intermediate Similarity NPD5691 Approved
0.7273 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD821 Approved
0.7273 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4005 Discontinued
0.7246 Intermediate Similarity NPD4237 Approved
0.7246 Intermediate Similarity NPD4236 Phase 3
0.7232 Intermediate Similarity NPD9296 Approved
0.7222 Intermediate Similarity NPD4678 Approved
0.7222 Intermediate Similarity NPD4626 Approved
0.7222 Intermediate Similarity NPD4675 Approved
0.7218 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD1653 Approved
0.7192 Intermediate Similarity NPD2801 Approved
0.7176 Intermediate Similarity NPD9494 Approved
0.7172 Intermediate Similarity NPD5089 Approved
0.7172 Intermediate Similarity NPD5090 Approved
0.7167 Intermediate Similarity NPD3021 Approved
0.7167 Intermediate Similarity NPD3022 Approved
0.7167 Intermediate Similarity NPD4750 Phase 3
0.7164 Intermediate Similarity NPD3620 Phase 2
0.7164 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD291 Approved
0.7143 Intermediate Similarity NPD3144 Approved
0.7143 Intermediate Similarity NPD3145 Approved
0.7143 Intermediate Similarity NPD3817 Phase 2
0.7132 Intermediate Similarity NPD6896 Approved
0.7132 Intermediate Similarity NPD6895 Approved
0.7131 Intermediate Similarity NPD5535 Approved
0.7123 Intermediate Similarity NPD37 Approved
0.7123 Intermediate Similarity NPD1934 Approved
0.7122 Intermediate Similarity NPD3060 Approved
0.7121 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD230 Phase 1
0.7111 Intermediate Similarity NPD3657 Discovery
0.7109 Intermediate Similarity NPD1091 Approved
0.7097 Intermediate Similarity NPD6671 Approved
0.7095 Intermediate Similarity NPD6788 Approved
0.7095 Intermediate Similarity NPD3882 Suspended
0.7087 Intermediate Similarity NPD17 Approved
0.7087 Intermediate Similarity NPD1778 Approved
0.708 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD8651 Approved
0.7075 Intermediate Similarity NPD4585 Approved
0.7073 Intermediate Similarity NPD1241 Discontinued
0.7059 Intermediate Similarity NPD2653 Approved
0.7059 Intermediate Similarity NPD1772 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD4055 Discovery
0.7047 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD2861 Phase 2
0.7042 Intermediate Similarity NPD1511 Approved
0.7042 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD1240 Approved
0.7029 Intermediate Similarity NPD2796 Approved
0.7029 Intermediate Similarity NPD2161 Phase 2
0.7027 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1669 Approved
0.7 Intermediate Similarity NPD1652 Phase 2
0.7 Intermediate Similarity NPD5327 Phase 3
0.7 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.6993 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6993 Remote Similarity NPD3146 Approved
0.698 Remote Similarity NPD4965 Approved
0.698 Remote Similarity NPD4967 Phase 2
0.698 Remote Similarity NPD4966 Approved
0.6977 Remote Similarity NPD1281 Approved
0.696 Remote Similarity NPD709 Approved
0.6959 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6954 Remote Similarity NPD5494 Approved
0.6953 Remote Similarity NPD6516 Phase 2
0.6953 Remote Similarity NPD2667 Approved
0.6953 Remote Similarity NPD5846 Approved
0.6953 Remote Similarity NPD2668 Approved
0.6944 Remote Similarity NPD5261 Clinical (unspecified phase)
0.6944 Remote Similarity NPD1512 Approved
0.6934 Remote Similarity NPD1607 Approved
0.693 Remote Similarity NPD2933 Approved
0.693 Remote Similarity NPD1432 Clinical (unspecified phase)
0.693 Remote Similarity NPD2934 Approved
0.6929 Remote Similarity NPD970 Clinical (unspecified phase)
0.6929 Remote Similarity NPD7153 Discontinued
0.6929 Remote Similarity NPD2808 Discontinued
0.6929 Remote Similarity NPD1182 Approved
0.6929 Remote Similarity NPD4664 Clinical (unspecified phase)
0.6929 Remote Similarity NPD1372 Clinical (unspecified phase)
0.6929 Remote Similarity NPD1044 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1608 Approved
0.6917 Remote Similarity NPD968 Approved
0.6913 Remote Similarity NPD5353 Approved
0.6912 Remote Similarity NPD2238 Phase 2
0.6911 Remote Similarity NPD1139 Approved
0.6911 Remote Similarity NPD1137 Approved
0.6908 Remote Similarity NPD7199 Phase 2
0.6905 Remote Similarity NPD3596 Phase 2
0.6899 Remote Similarity NPD3496 Discontinued
0.6889 Remote Similarity NPD1296 Phase 2
0.6887 Remote Similarity NPD919 Approved
0.6887 Remote Similarity NPD6234 Discontinued
0.6879 Remote Similarity NPD5177 Phase 3
0.6879 Remote Similarity NPD4162 Approved
0.6875 Remote Similarity NPD4123 Phase 3
0.6875 Remote Similarity NPD5585 Approved
0.687 Remote Similarity NPD844 Approved
0.687 Remote Similarity NPD2859 Approved
0.687 Remote Similarity NPD2860 Approved
0.6863 Remote Similarity NPD6232 Discontinued
0.6861 Remote Similarity NPD447 Suspended
0.6855 Remote Similarity NPD1138 Approved
0.6849 Remote Similarity NPD4210 Discontinued
0.6849 Remote Similarity NPD3687 Approved
0.6849 Remote Similarity NPD3686 Approved
0.6842 Remote Similarity NPD6584 Phase 3
0.6842 Remote Similarity NPD4624 Approved
0.6838 Remote Similarity NPD3020 Approved
0.6835 Remote Similarity NPD1510 Phase 2
0.6831 Remote Similarity NPD6331 Phase 2
0.6831 Remote Similarity NPD7466 Approved
0.6831 Remote Similarity NPD6658 Clinical (unspecified phase)
0.6831 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6831 Remote Similarity NPD4110 Phase 3
0.6818 Remote Similarity NPD3926 Phase 2
0.6818 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5242 Approved
0.6818 Remote Similarity NPD1283 Approved
0.6815 Remote Similarity NPD3179 Approved
0.6815 Remote Similarity NPD7095 Approved
0.6815 Remote Similarity NPD3180 Approved
0.6814 Remote Similarity NPD9365 Approved
0.6812 Remote Similarity NPD2492 Phase 1
0.6806 Remote Similarity NPD1774 Approved
0.6806 Remote Similarity NPD6799 Approved
0.6797 Remote Similarity NPD1247 Approved
0.6797 Remote Similarity NPD6581 Approved
0.6797 Remote Similarity NPD6580 Approved
0.6794 Remote Similarity NPD1840 Phase 2

Structure

External Identifiers

PubChem CID   10248
ChEMBL   CHEMBL458690
ZINC  

Physicochemical Properties

Molecular Weight:  208.11
ALogP:  0.8733
MLogP:  2.45
XLogP:  2.559
# Rotatable Bonds:  8
Polar Surface Area:  27.69
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  15

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Biological Activities  
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