Natural Product: NPC194208

Natural Product ID:  NPC194208
Common Name:   Alpha-Cadinol
IUPAC Name:   (1R,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
Synonyms:   Alpha-Cadinol
Molecular Formula:   C15H26O
Standard InCHIKey:  LHYHMMRYTDARSZ-BYNSBNAKSA-N
Standard InCHI:  InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14+,15+/m0/s1
Canonical SMILES:  CC1=C[C@@H]2[C@@H](CC1)[C@](C)(O)CC[C@H]2C(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
NPO30165 Pongamia pinnata Species Fabaceae Eukaryota Stem barks Indonesia 1999-SEP PMID[14510596]
NPO17876 Magnolia henryi Species Magnoliaceae Eukaryota UNPD*
NPO25549 Rhizophagus intraradices Species Glomeraceae Eukaryota UNPD*
NPO30861 Baccharoides lilacina Species Asteraceae Eukaryota Aerial parts PMID[23678821]
NPO14201 Riccia fluitans Species Ricciaceae Eukaryota UNPD*
NPO1457 Phoma asparagi Species Didymellaceae Eukaryota UNPD*
NPO1257 Distephanus angulifolius Species Asteraceae Eukaryota UNPD*
NPO18653 Cyathus intermedius Species Nidulariaceae Eukaryota UNPD*
NPO23197 Juniperus oxycedrus Species Cupressaceae Eukaryota UNPD*
NPO30925 Cochlospermum angolense Species Bixaceae Eukaryota Root PMID[22799094]
NPO23114 Cacalia robusta Species Asteraceae Eukaryota UNPD*
NPO24408 Ariocarpus fissuratus Species Cactaceae Eukaryota UNPD*
NPO5456 Juniperus drupacea Species Cupressaceae Eukaryota UNPD*
NPO17050 Haemanthus albiflos Species Amaryllidaceae Eukaryota UNPD*
NPO7869 Peritassa campestris Species Celastraceae Eukaryota UNPD*
NPO30925 Cochlospermum angolense Species Bixaceae Eukaryota Leaves PMID[22799094]
NPO17433 Peltophorum dubium Species Fabaceae Eukaryota UNPD*
NPO21625 Bidens tripartita Species Asteraceae Eukaryota UNPD*
NPO24219 Erylus nobilis Species Geodiidae Eukaryota UNPD*
NPO11763 Cyperus capitatus Species Cyperaceae Eukaryota UNPD*
NPO24090 Aplysilla rosea Species Darwinellidae Eukaryota UNPD*
NPO31230 Pogostemon travancoricus Species Lamiaceae Eukaryota PMID[22428255]
NPO19535 Senecio zoellneri Species Asteraceae Eukaryota UNPD*
NPO4010 Flemingia philippinensis Species Fabaceae Eukaryota UNPD*
NPO865 Dendrobium loddigesii Species Orchidaceae Eukaryota UNPD*
NPO23459 Onoseris alata Species Asteraceae Eukaryota UNPD*
NPO24241 Taiwania cryptomerioides Species Cupressaceae Eukaryota PMID[9014350]
NPO31455 Cionura erecta Species Apocynaceae Eukaryota Root PMID[26114128]
NPO526 Salvia sessei Species Lamiaceae Eukaryota UNPD*
NPO23384 Rhodiola semenovii Species Crassulaceae Eukaryota UNPD*
NPO9319 Pterocaulon virgatum Species Asteraceae Eukaryota UNPD*
NPO24249 Codonopsis cordifolioidea Species Campanulaceae Eukaryota UNPD*
NPO21902 Thalictrum sachalinense Species Ranunculaceae Eukaryota UNPD*
NPO31579 Artemisia capillaries Species Asteraceae Eukaryota TCM_Taiwan*
NPO23545 Vellozia streptophylla Species Velloziaceae Eukaryota UNPD*
NPO24290 Claviceps microcephala Species Clavicipitaceae Eukaryota UNPD*
NPO19222 Mycale tenuis Species Mycalidae Eukaryota UNPD*
NPO21720 Talaromyces variabilis Species Trichocomaceae Eukaryota UNPD*
NPO5124 Aconitum ibukiense Species Ranunculaceae Eukaryota UNPD*
NPO4130.1 Machilus zuihoensis var. mushaensis Varieties Lauraceae Eukaryota Leaves PMID[23513747]
NPO22349 Cucumaria frondosa Species Cucumariidae Eukaryota UNPD*
NPO9532 Vernonia cistifolia Species Asteraceae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMSP*
NPO16043 Centaurea musimomum Species Asteraceae Eukaryota UNPD*
NPO6749 Bergenia crassifolia Species Saxifragaceae Eukaryota Leaves PMID[24895781]
NPO23924 Psilotum nudum Species Psilotaceae Eukaryota UNPD*
NPO195 Maprounea guianensis Species Euphorbiaceae Eukaryota UNPD*
NPO19683 Pycnothymus rigidus NA NA NA UNPD*
NPO5800 Radix salviae Species Lymnaeidae Eukaryota TCMSP*
NPO11313 Juniperus formosana Species Cupressaceae Eukaryota Leaves PMID[24273878]
NPO8258 Camellia sinensis Species Theaceae Eukaryota Flowers PMID[21922925]
NPO7328 Salvia miniata Species Lamiaceae Eukaryota UNPD*
NPO1815 Breonia chinensis Species Rubiaceae Eukaryota UNPD*
NPO17987 Mycosphaerella nawae Species Mycosphaerellaceae Eukaryota UNPD*
NPO29671 Curcumae rhizoma NA NA NA TCMSP*
NPO11313 Juniperus formosana Species Cupressaceae Eukaryota fruit PMID[24273878]
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TCM_Taiwan*
NPO10922 Pentaclethra macrophylla Species Fabaceae Eukaryota UNPD*
NPO20618 Penicilliopsis clavariiformis Species Aspergillaceae Eukaryota UNPD*
NPO16034 Lecanora sulphurata Species Lecanoraceae Eukaryota UNPD*
NPO6323 Croci stigma NA NA NA TCMSP*
NPO11602 Litsea acutivena Species Lauraceae Eukaryota Twigs PMID[22224304]
NPO10294 Homalomena aromatica Species Araceae Eukaryota UNPD*
NPO6570 Cinnamomum philippinense Species Lauraceae Eukaryota UNPD*
NPO21827 Albatrellus caeruleoporus Species Albatrellaceae Eukaryota UNPD*
NPO2244 Coscinoderma matthewsi Species Spongiidae Eukaryota UNPD*
NPO11576 Glycosmis macrophylla Species Rutaceae Eukaryota UNPD*
NPO11602 Litsea acutivena Species Lauraceae Eukaryota Leaves PMID[22224304]
NPO15709 Lobelia langeana Species Campanulaceae Eukaryota UNPD*
NPO12464 Litsea nitida Species Lauraceae Eukaryota UNPD*
NPO2653 Cheilanthes farinosa Species Pteridaceae Eukaryota UNPD*
NPO6388 Mulguraea tridens Species Verbenaceae Eukaryota UNPD*
NPO12091 Martensia denticulata Species Delesseriaceae Eukaryota UNPD*
NPO25141 Mycetinis alliaceus Species Omphalotaceae Eukaryota UNPD*
NPO24364 Petrosia corticata Species Petrosiidae Eukaryota UNPD*
NPO13965 Chamaecyparis formosensis Species Cupressaceae Eukaryota Twigs PMID[22908586]
NPO23610 Aconitum tianschanicum Species Ranunculaceae Eukaryota UNPD*
NPO18824 Alpinia pulcherrima Species Staphylinidae Eukaryota UNPD*
NPO15538 Corymbia citriodora Species Myrtaceae Eukaryota UNPD*
NPO12205 Eucalyptus apodophylla Species Myrtaceae Eukaryota UNPD*
NPO22324 Erium villosum Species Pseudococcidae Eukaryota UNPD*
NPO9142 Aeschynanthus parvifolius Species Gesneriaceae Eukaryota UNPD*
NPO11843 Stephania zippeliana Species Menispermaceae Eukaryota UNPD*
NPO1849 Pleiospermium alatum Species Rutaceae Eukaryota Stems Journal of essential oil research,2011,23: 1-4
NPO19416 Streptomyces sakaiensis Species Streptomycetaceae Bacteria UNPD*
NPO19495 Bignonia unguiscati Species Bignoniaceae Eukaryota UNPD*
NPO2351 Echinocardium cordatum Species Loveniidae Eukaryota UNPD*
NPO14941 Delphinium tricorne Species Ranunculaceae Eukaryota UNPD*
NPO14339 Fevillea trilobata Species Cucurbitaceae Eukaryota UNPD*
NPO1849 Pleiospermium alatum Species Rutaceae Eukaryota Root Journal of essential oil research,2011,23: 1-4
NPO23029 Tetradenia riparia Species Lamiaceae Eukaryota UNPD*
NPO5782 Aniba rosaeodora Species Lauraceae Eukaryota UNPD*
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota UNPD*
NPO10605 Tristania conferta Species Myrtaceae Eukaryota UNPD*
NPO16727 Iris sibirica Species Iridaceae Eukaryota UNPD*
NPO1849 Pleiospermium alatum Species Rutaceae Eukaryota Leaves Journal of essential oil research,2011,23: 1-4
NPO13135 Campylotropis hirtella Species Fabaceae Eukaryota UNPD*
NPO20157 Boykinia tellimoides Species Saxifragaceae Eukaryota UNPD*
NPO18747 Bufo bankorensis Species Bufonidae Eukaryota UNPD*
NPO13661 Tripterygium wilfordii Species Celastraceae Eukaryota UNPD*
NPO20998 Machaerium kuhlmannii Species Dolichopodidae Eukaryota UNPD*
NPO19979 Schisandra glaucescens Species Schisandraceae Eukaryota Stems PMID[23373215]
NPO10638 Plectranthus myrianthus Species Lamiaceae Eukaryota UNPD*
NPO12429 Acicarpha tribuloides Species Calyceraceae Eukaryota UNPD*
NPO23413 Crematogaster africana Species Formicidae Eukaryota UNPD*
NPO23043 Cryptolestes pusillus Species Laemophloeidae Eukaryota UNPD*
NPO3705 Anacardium humile Species Anacardiaceae Eukaryota UNPD*
NPO21713 Matricaria pubescens Species Asteraceae Eukaryota PMID[21425687]
NPO19069 Thelepus setosus Species Terebellidae Eukaryota UNPD*
NPO15612 Glaucium oxylobum Species Papaveraceae Eukaryota UNPD*
NPO24005 Mytilus galloprovincialis Species Mytilidae Eukaryota UNPD*
NPO23884 Hippobroma longiflora Species Campanulaceae Eukaryota UNPD*
NPO24445 Arbacia pustulosa Species Arbaciidae Eukaryota UNPD*
NPO22803 Neolitsea parvigemma Species Lauraceae Eukaryota Leaves PMID[21941915]
NPO17737 Lepidorhinus squamosus NA NA NA UNPD*
NPO16481 Xanthium canadense Species Asteraceae Eukaryota UNPD*
NPO6731 Ononis spinosa Species Fabaceae Eukaryota UNPD*
NPO22691 Mentha cardiaca Species Lamiaceae Eukaryota UNPD*
NPO19285 Chromodoris cavae Species Chromodorididae Eukaryota UNPD*
NPO22821.1 Chamaecyparis obtusa var. formosana Varieties Cupressaceae Eukaryota PMID[25026733]
NPO24241 Taiwania cryptomerioides Species Cupressaceae Eukaryota TCM_Taiwan*
NPO9704 Sonneratia caseolaris Species Lythraceae Eukaryota UNPD*
NPO7822.1 Eucalyptus globulus subsp. bicostata Subspecies Myrtaceae Eukaryota UNPD*
NPO19747 Maytenus emarginata Species Celastraceae Eukaryota UNPD*
NPO23739 Staehelina fruticosa Species Asteraceae Eukaryota UNPD*
NPO17186 Sibiraea angustata Species Rosaceae Eukaryota UNPD*
NPO22595 Trapa bicornis Species Lythraceae Eukaryota UNPD*
NPO24241 Taiwania cryptomerioides Species Cupressaceae Eukaryota Twigs PMID[22474975]
NPO18976 Centaurea arbutifolia Species Asteraceae Eukaryota UNPD*
NPO6289 Ceropegia dichotoma Species Apocynaceae Eukaryota UNPD*
NPO23364 Lambertella corni Species Rutstroemiaceae Eukaryota UNPD*
NPO19554 Coronilla hyrcana Species Fabaceae Eukaryota UNPD*
NPO19350 Ephedra altissima Species Ephedraceae Eukaryota UNPD*
NPO23961 Scytonema ocellatum Species Scytonemataceae Bacteria UNPD*
NPO24816 Anaphalis contorta Species Asteraceae Eukaryota Flowers PMID[23513735]
NPO23920 Amanita pseudoporphyria Species Amanitaceae Eukaryota UNPD*
NPO23696 Solanum diflorum Species Solanaceae Eukaryota UNPD*
NPO22455 Corydalis sewerzowi Species Papaveraceae Eukaryota UNPD*
NPO12565 Hypericum polyanthemum Species Hypericaceae Eukaryota UNPD*
NPO18492 Prunus pseudocerasus Species Rosaceae Eukaryota UNPD*
NPO14653 Haliotis diversicolor Species Haliotidae Eukaryota UNPD*
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota TCM_Taiwan*
NPO8593 Zygosaccharomyces rouxii Species Saccharomycetaceae Eukaryota UNPD*
NPO8086 Lepechinia caulescens Species Lamiaceae Eukaryota UNPD*
NPO23281 Aplysinella rhax Species Aplysinellidae Eukaryota UNPD*
NPO18326 Eria siamensis Species Orchidaceae Eukaryota UNPD*
NPO4171 Isolona pilosa Species Annonaceae Eukaryota UNPD*
NPO3873 Crotalaria candicans Species Fabaceae Eukaryota UNPD*
NPO26589 Artemisia annua Species Asteraceae Eukaryota TCM_Taiwan*
NPO5043 Eria japonica Species Orchidaceae Eukaryota UNPD*
NPO23211 Xyris indica Species Xyridaceae Eukaryota UNPD*
NPO18576 Vernonia aurea Species Asteraceae Eukaryota UNPD*
NPO12311 Graphis handelii Species Graphidaceae Eukaryota UNPD*
NPO12796 Periploca sepium Species Apocynaceae Eukaryota UNPD*
NPO21769 Pterocarpus dalbergioides Species Fabaceae Eukaryota UNPD*
NPO29911 Croton gossypiifolius Species Euphorbiaceae Eukaryota Leaves PMID[21366055]
NPO19614 Erica cinerea Species Ericaceae Eukaryota UNPD*
NPO17318 Streptomyces cyaneus Species Streptomycetaceae Bacteria UNPD*
NPO17251 Aniba firmula Species Lauraceae Eukaryota UNPD*
NPO16067.1 Pseudotsuga sinensis var. wilsoniana Varieties Pinaceae Eukaryota UNPD*
NPO17158 Trichocereus bridgesii Species Cactaceae Eukaryota UNPD*
NPO23499 Carpesium faberi Species Asteraceae Eukaryota UNPD*
NPO30344 Pulicaria stephanocarpa Species Asteraceae Eukaryota Leaves PMID[22428262]
NPO18986 Betula papyrifera Species Betulaceae Eukaryota UNPD*
NPO8934 Gypsophila perfoliata Species Caryophyllaceae Eukaryota UNPD*
NPO18131 Micromelum falcatum Species Rutaceae Eukaryota UNPD*
NPO1325 Bonnemaisonia asparagoides Species Bonnemaisoniaceae Eukaryota UNPD*
NPO13361 Clerodendrum tomentosum Species Lamiaceae Eukaryota UNPD*
NPO30434 Xenophyllum poposum Species Asteraceae Eukaryota PMID[23413577]
NPO13127 Vallaris heynei Species Apocynaceae Eukaryota UNPD*
NPO14027 Dacryodes normandii Species Burseraceae Eukaryota UNPD*
NPO20637 Piper acutifolium Species Piperaceae Eukaryota UNPD*
NPO6642 Mocis latipes Species Noctuidae Eukaryota UNPD*
NPO7773 Crinum moorei Species Amaryllidaceae Eukaryota UNPD*
NPO14595 Lactarius torminosus Species Russulaceae Eukaryota UNPD*
NPO30731 Neolitsea variabillima Species Lauraceae Eukaryota Leaves PMID[23738472]
NPO10957 Cladosiphon okamuranus Species Chordariaceae Eukaryota UNPD*
NPO738 Dahlstedtia pentaphylla Species Fabaceae Eukaryota UNPD*
NPO22143 Genista sessilifolia Species Fabaceae Eukaryota UNPD*
NPO23792 Gomphostemma parviflorum Species Lamiaceae Eukaryota UNPD*
NPO15370 Tamarix dioica Species Tamaricaceae Eukaryota UNPD*
NPO8513 Pseudomonas fluorescens Species Pseudomonadaceae Bacteria UNPD*
NPO30846 Helichrysum armenium Species Asteraceae Eukaryota Flowers PMID[22799105]
NPO18899 Keyserlingia koreensis NA NA NA UNPD*
NPO13434 Acremonium furcatum Species Plectosphaerellaceae Eukaryota UNPD*
NPO24176 Streptomyces fradiae Species Streptomycetaceae Bacteria UNPD*
NPO1534 Jatropha gossypiifolia Species Euphorbiaceae Eukaryota UNPD*
NPO21963 Hypericum japonicum Species Hypericaceae Eukaryota UNPD*
NPO23318 Aconitum palmatum Species Ranunculaceae Eukaryota UNPD*
NPO30846 Helichrysum armenium Species Asteraceae Eukaryota Stems PMID[22799105]
NPO13245 Agelas longissima Species Agelasidae Eukaryota UNPD*
NPO17565 Hordeum bulbosum Species Poaceae Eukaryota UNPD*
NPO23834 Chlamydomonas allensworthii Species Chlamydomonadaceae Eukaryota UNPD*
NPO24132 Euphausia superba Species Euphausiidae Eukaryota UNPD*
NPO11190 Veronica polita Species Plantaginaceae Eukaryota UNPD*
NPO30846 Helichrysum armenium Species Asteraceae Eukaryota Leaves PMID[22799105]
NPO1560 Boronia alata Species Rutaceae Eukaryota UNPD*
NPO24048 Cladonia pityrea Species Cladoniaceae Eukaryota UNPD*
NPO16256 Helleborus viridis Species Ranunculaceae Eukaryota UNPD*
NPO19830 Chamonixia caespitosa Species Boletaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1515 Organism SARS coronavirus SARS coronavirus EC50 = 4440 nM 17663539
NPT189 Cell Line Vero Chlorocebus aethiops CC50 = 76800 nM 17663539
NPT2 Others Unspecified Ratio CC50/EC50 = 17.3 17663539
NPT1515 Organism SARS coronavirus SARS coronavirus Inhibition < 25 % 17663539
NPT1515 Organism SARS coronavirus SARS coronavirus Inhibition = 25 % 17663539
NPT1515 Organism SARS coronavirus SARS coronavirus Inhibition = 50 % 17663539
NPT176 Organism Artemia salina Artemia salina LC50 = 9.4 ug/ml 9014350
NPT81 Cell Line A549 Homo sapiens ED50 = 11.09 ug/ml 9014350
NPT83 Cell Line MCF7 Homo sapiens ED50 = 13.05 ug/ml 9014350
NPT139 Cell Line HT-29 Homo sapiens ED50 = 7.78 ug/ml 9014350
NPT1381 Organism Aedes aegypti Aedes aegypti LC50 = 2 ug/ml 9014350
NPT440 Individual Protein Quinone oxidoreductase Mus musculus CD = 2.3 ug/ml 14510596
NPT2 Others Unspecified Ratio > 2.2 14510596

  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 NPC194208 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 NPC79576
1.0 High Similarity NPC282694
0.8852 High Similarity NPC174956
0.875 High Similarity NPC94192
0.8636 High Similarity NPC242992
0.8636 High Similarity NPC23954
0.8636 High Similarity NPC164022
0.8615 High Similarity NPC476431
0.8548 High Similarity NPC81615
0.8507 High Similarity NPC220939
0.8507 High Similarity NPC265485
0.85 High Similarity NPC189290
0.85 High Similarity NPC474769
0.8485 Intermediate Similarity NPC92801
0.8475 Intermediate Similarity NPC179024
0.8438 Intermediate Similarity NPC279434
0.8421 Intermediate Similarity NPC35519
0.8421 Intermediate Similarity NPC306195
0.8421 Intermediate Similarity NPC179169
0.8421 Intermediate Similarity NPC181255
0.8421 Intermediate Similarity NPC157781
0.8358 Intermediate Similarity NPC167706
0.8281 Intermediate Similarity NPC64123
0.8246 Intermediate Similarity NPC214584
0.8246 Intermediate Similarity NPC26906
0.8235 Intermediate Similarity NPC182717
0.8226 Intermediate Similarity NPC135648
0.8182 Intermediate Similarity NPC96484
0.8182 Intermediate Similarity NPC208999
0.8167 Intermediate Similarity NPC39068
0.8167 Intermediate Similarity NPC264779
0.8154 Intermediate Similarity NPC202017
0.8143 Intermediate Similarity NPC76966
0.8143 Intermediate Similarity NPC186554
0.8143 Intermediate Similarity NPC265588
0.8116 Intermediate Similarity NPC100334
0.8116 Intermediate Similarity NPC201048
0.8116 Intermediate Similarity NPC476366
0.8103 Intermediate Similarity NPC177112
0.8103 Intermediate Similarity NPC71506
0.8088 Intermediate Similarity NPC110799
0.7941 Intermediate Similarity NPC475728
0.7917 Intermediate Similarity NPC207772
0.7917 Intermediate Similarity NPC253561
0.7917 Intermediate Similarity NPC80088
0.7887 Intermediate Similarity NPC46160
0.7887 Intermediate Similarity NPC290598
0.7887 Intermediate Similarity NPC122418
0.7887 Intermediate Similarity NPC30590
0.7887 Intermediate Similarity NPC470749
0.7887 Intermediate Similarity NPC27765
0.7887 Intermediate Similarity NPC265328
0.7887 Intermediate Similarity NPC120098
0.7887 Intermediate Similarity NPC202642
0.7887 Intermediate Similarity NPC189883
0.7887 Intermediate Similarity NPC472305
0.7857 Intermediate Similarity NPC22134
0.7857 Intermediate Similarity NPC243342
0.7857 Intermediate Similarity NPC91858
0.7857 Intermediate Similarity NPC477138
0.7846 Intermediate Similarity NPC101128
0.7846 Intermediate Similarity NPC225415
0.7808 Intermediate Similarity NPC291379
0.7794 Intermediate Similarity NPC474248
0.7778 Intermediate Similarity NPC90979
0.7778 Intermediate Similarity NPC470758
0.7778 Intermediate Similarity NPC34177
0.7778 Intermediate Similarity NPC214570
0.7778 Intermediate Similarity NPC472805
0.7778 Intermediate Similarity NPC257666
0.7778 Intermediate Similarity NPC101475
0.7778 Intermediate Similarity NPC471798
0.7778 Intermediate Similarity NPC34110
0.7778 Intermediate Similarity NPC157996
0.7778 Intermediate Similarity NPC40394
0.7778 Intermediate Similarity NPC266193
0.7778 Intermediate Similarity NPC470711
0.7761 Intermediate Similarity NPC269077
0.7761 Intermediate Similarity NPC253303
0.7761 Intermediate Similarity NPC197805
0.7761 Intermediate Similarity NPC139207
0.7761 Intermediate Similarity NPC185874
0.7761 Intermediate Similarity NPC171225
0.7746 Intermediate Similarity NPC66566
0.7746 Intermediate Similarity NPC121744
0.7746 Intermediate Similarity NPC322353
0.7746 Intermediate Similarity NPC291503
0.7746 Intermediate Similarity NPC477923
0.7746 Intermediate Similarity NPC138374
0.7746 Intermediate Similarity NPC32832
0.7746 Intermediate Similarity NPC118508
0.7746 Intermediate Similarity NPC471723
0.7746 Intermediate Similarity NPC141071
0.7746 Intermediate Similarity NPC34700
0.7746 Intermediate Similarity NPC257347
0.7727 Intermediate Similarity NPC258595
0.7719 Intermediate Similarity NPC100445
0.7714 Intermediate Similarity NPC471799
0.7681 Intermediate Similarity NPC145498
0.7681 Intermediate Similarity NPC34834
0.7671 Intermediate Similarity NPC474989
0.7671 Intermediate Similarity NPC205455
0.7671 Intermediate Similarity NPC98386
0.7671 Intermediate Similarity NPC318136
0.7671 Intermediate Similarity NPC186191
0.7671 Intermediate Similarity NPC253807
0.7671 Intermediate Similarity NPC275910
0.7671 Intermediate Similarity NPC285761
0.7671 Intermediate Similarity NPC196753
0.7671 Intermediate Similarity NPC300499
0.7671 Intermediate Similarity NPC158662
0.7671 Intermediate Similarity NPC470396
0.7671 Intermediate Similarity NPC230295
0.7671 Intermediate Similarity NPC99168
0.7671 Intermediate Similarity NPC22955
0.7656 Intermediate Similarity NPC66020
0.7656 Intermediate Similarity NPC240506
0.7647 Intermediate Similarity NPC216460
0.7647 Intermediate Similarity NPC244790
0.7639 Intermediate Similarity NPC470362
0.7639 Intermediate Similarity NPC7629
0.7639 Intermediate Similarity NPC151622
0.7639 Intermediate Similarity NPC134330
0.7639 Intermediate Similarity NPC129165
0.7639 Intermediate Similarity NPC106364
0.7639 Intermediate Similarity NPC240604
0.7639 Intermediate Similarity NPC106432
0.7639 Intermediate Similarity NPC73875
0.7639 Intermediate Similarity NPC237460
0.7639 Intermediate Similarity NPC300324
0.7612 Intermediate Similarity NPC286669
0.7612 Intermediate Similarity NPC222366
0.7612 Intermediate Similarity NPC476039
0.7612 Intermediate Similarity NPC473929
0.7606 Intermediate Similarity NPC471797
0.76 Intermediate Similarity NPC119229
0.7576 Intermediate Similarity NPC68656
0.7576 Intermediate Similarity NPC96793
0.7576 Intermediate Similarity NPC290367
0.7576 Intermediate Similarity NPC144650
0.7576 Intermediate Similarity NPC323424
0.7571 Intermediate Similarity NPC242001
0.7571 Intermediate Similarity NPC471272
0.7571 Intermediate Similarity NPC477792
0.7568 Intermediate Similarity NPC53744
0.7568 Intermediate Similarity NPC80530
0.7568 Intermediate Similarity NPC170394
0.7568 Intermediate Similarity NPC273410
0.7568 Intermediate Similarity NPC1319
0.7538 Intermediate Similarity NPC41160
0.7534 Intermediate Similarity NPC132542
0.7534 Intermediate Similarity NPC477427
0.7534 Intermediate Similarity NPC474826
0.7534 Intermediate Similarity NPC91594
0.7534 Intermediate Similarity NPC477924
0.7534 Intermediate Similarity NPC477426
0.7534 Intermediate Similarity NPC318495
0.7534 Intermediate Similarity NPC477425
0.7534 Intermediate Similarity NPC130136
0.7534 Intermediate Similarity NPC198968
0.7534 Intermediate Similarity NPC283619
0.7534 Intermediate Similarity NPC155986
0.75 Intermediate Similarity NPC30166
0.75 Intermediate Similarity NPC101307
0.75 Intermediate Similarity NPC285893
0.75 Intermediate Similarity NPC133580
0.75 Intermediate Similarity NPC87489
0.75 Intermediate Similarity NPC88454
0.75 Intermediate Similarity NPC28657
0.75 Intermediate Similarity NPC304309
0.75 Intermediate Similarity NPC117607
0.75 Intermediate Similarity NPC230301
0.75 Intermediate Similarity NPC134847
0.75 Intermediate Similarity NPC136188
0.75 Intermediate Similarity NPC288035
0.75 Intermediate Similarity NPC162742
0.75 Intermediate Similarity NPC22105
0.7467 Intermediate Similarity NPC476809
0.7467 Intermediate Similarity NPC236237
0.7467 Intermediate Similarity NPC102253
0.7467 Intermediate Similarity NPC236112
0.7467 Intermediate Similarity NPC295131
0.7467 Intermediate Similarity NPC13554
0.7467 Intermediate Similarity NPC322313
0.7467 Intermediate Similarity NPC472301
0.7465 Intermediate Similarity NPC474140
0.7465 Intermediate Similarity NPC68443
0.7465 Intermediate Similarity NPC201373
0.7465 Intermediate Similarity NPC259049
0.7463 Intermediate Similarity NPC208198
0.7463 Intermediate Similarity NPC282619
0.7463 Intermediate Similarity NPC60837
0.7463 Intermediate Similarity NPC471200
0.7463 Intermediate Similarity NPC2728
0.7463 Intermediate Similarity NPC11555
0.7463 Intermediate Similarity NPC163678
0.7463 Intermediate Similarity NPC172613
0.746 Intermediate Similarity NPC278550
0.7458 Intermediate Similarity NPC329773
0.7432 Intermediate Similarity NPC6978

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC194208 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
0.7826 Intermediate Similarity NPD4243 Approved
0.7606 Intermediate Similarity NPD4785 Approved
0.7606 Intermediate Similarity NPD4784 Approved
0.7568 Intermediate Similarity NPD7645 Phase 2
0.75 Intermediate Similarity NPD4190 Phase 3
0.75 Intermediate Similarity NPD6942 Approved
0.75 Intermediate Similarity NPD7339 Approved
0.75 Intermediate Similarity NPD5275 Approved
0.7467 Intermediate Similarity NPD7525 Registered
0.7397 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD368 Approved
0.7143 Intermediate Similarity NPD342 Phase 1
0.7105 Intermediate Similarity NPD4195 Approved
0.6914 Remote Similarity NPD3618 Phase 1
0.6892 Remote Similarity NPD6924 Approved
0.6892 Remote Similarity NPD6926 Approved
0.6835 Remote Similarity NPD3667 Approved
0.6835 Remote Similarity NPD4221 Approved
0.6835 Remote Similarity NPD4223 Phase 3
0.68 Remote Similarity NPD8264 Approved
0.6795 Remote Similarity NPD4748 Discontinued
0.6711 Remote Similarity NPD6933 Approved
0.6707 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5328 Approved
0.6667 Remote Similarity NPD4786 Approved
0.6667 Remote Similarity NPD4197 Approved
0.6628 Remote Similarity NPD4202 Approved
0.6627 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6622 Remote Similarity NPD7151 Approved
0.6622 Remote Similarity NPD7152 Approved
0.6622 Remote Similarity NPD7150 Approved
0.6585 Remote Similarity NPD5329 Approved
0.6582 Remote Similarity NPD4695 Discontinued
0.6582 Remote Similarity NPD7509 Discontinued
0.6575 Remote Similarity NPD6923 Approved
0.6575 Remote Similarity NPD6922 Approved
0.6512 Remote Similarity NPD7515 Phase 2
0.6512 Remote Similarity NPD6079 Approved
0.6506 Remote Similarity NPD4690 Approved
0.6506 Remote Similarity NPD4519 Discontinued
0.6506 Remote Similarity NPD5280 Approved
0.6506 Remote Similarity NPD5205 Approved
0.6506 Remote Similarity NPD4688 Approved
0.6506 Remote Similarity NPD4623 Approved
0.6506 Remote Similarity NPD4694 Approved
0.6506 Remote Similarity NPD4689 Approved
0.6506 Remote Similarity NPD4138 Approved
0.6506 Remote Similarity NPD4693 Phase 3
0.6506 Remote Similarity NPD5690 Phase 2
0.65 Remote Similarity NPD388 Approved
0.65 Remote Similarity NPD386 Approved
0.6486 Remote Similarity NPD7143 Approved
0.6486 Remote Similarity NPD7144 Approved
0.6463 Remote Similarity NPD3133 Approved
0.6463 Remote Similarity NPD3665 Phase 1
0.6463 Remote Similarity NPD3666 Approved
0.6429 Remote Similarity NPD3573 Approved
0.6393 Remote Similarity NPD384 Approved
0.6393 Remote Similarity NPD385 Approved
0.6389 Remote Similarity NPD7331 Phase 2
0.6375 Remote Similarity NPD6931 Approved
0.6375 Remote Similarity NPD6930 Phase 2
0.6364 Remote Similarity NPD7748 Approved
0.6353 Remote Similarity NPD4722 Approved
0.6353 Remote Similarity NPD4723 Approved
0.6333 Remote Similarity NPD4755 Approved
0.6329 Remote Similarity NPD3617 Approved
0.6296 Remote Similarity NPD4692 Approved
0.6296 Remote Similarity NPD4139 Approved
0.6279 Remote Similarity NPD4753 Phase 2
0.6265 Remote Similarity NPD3668 Phase 3
0.625 Remote Similarity NPD6929 Approved
0.625 Remote Similarity NPD7341 Phase 2
0.6222 Remote Similarity NPD4697 Phase 3
0.6222 Remote Similarity NPD5221 Approved
0.6222 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5222 Approved
0.6203 Remote Similarity NPD6932 Approved
0.6196 Remote Similarity NPD4700 Approved
0.6196 Remote Similarity NPD5286 Approved
0.6196 Remote Similarity NPD4696 Approved
0.6196 Remote Similarity NPD5285 Approved
0.6154 Remote Similarity NPD5173 Approved
0.6154 Remote Similarity NPD7902 Approved
0.6145 Remote Similarity NPD6695 Phase 3
0.6143 Remote Similarity NPD1145 Discontinued
0.6136 Remote Similarity NPD5281 Approved
0.6136 Remote Similarity NPD5284 Approved
0.6129 Remote Similarity NPD5223 Approved
0.6125 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6118 Remote Similarity NPD5279 Phase 3
0.6087 Remote Similarity NPD5290 Discontinued
0.6076 Remote Similarity NPD1346 Approved
0.6071 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6067 Remote Similarity NPD6399 Phase 3
0.6064 Remote Similarity NPD4633 Approved
0.6064 Remote Similarity NPD5211 Phase 2
0.6064 Remote Similarity NPD5224 Approved
0.6064 Remote Similarity NPD5225 Approved
0.6064 Remote Similarity NPD5226 Approved
0.6049 Remote Similarity NPD6683 Phase 2
0.6023 Remote Similarity NPD4096 Approved
0.6 Remote Similarity NPD4754 Approved
0.6 Remote Similarity NPD5175 Approved
0.6 Remote Similarity NPD6893 Approved
0.6 Remote Similarity NPD1799 Clinical (unspecified phase)
0.6 Remote Similarity NPD5174 Approved
0.6 Remote Similarity NPD5776 Phase 2
0.6 Remote Similarity NPD6925 Approved
0.6 Remote Similarity NPD1696 Phase 3
0.6 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6 Remote Similarity NPD3621 Clinical (unspecified phase)
0.5976 Remote Similarity NPD7514 Phase 3
0.5976 Remote Similarity NPD7332 Phase 2
0.5965 Remote Similarity NPD319 Phase 1
0.5938 Remote Similarity NPD5141 Approved
0.5934 Remote Similarity NPD4629 Approved
0.5934 Remote Similarity NPD5210 Approved
0.5934 Remote Similarity NPD5695 Phase 3
0.593 Remote Similarity NPD6098 Approved
0.5926 Remote Similarity NPD7145 Approved
0.5921 Remote Similarity NPD15 Approved
0.5921 Remote Similarity NPD791 Approved
0.5921 Remote Similarity NPD4137 Phase 3
0.5914 Remote Similarity NPD7638 Approved
0.5909 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5904 Remote Similarity NPD6898 Phase 1
0.5902 Remote Similarity NPD367 Approved
0.5889 Remote Similarity NPD5133 Approved
0.5876 Remote Similarity NPD7128 Approved
0.5876 Remote Similarity NPD6402 Approved
0.5876 Remote Similarity NPD4767 Approved
0.5876 Remote Similarity NPD4768 Approved
0.5876 Remote Similarity NPD6675 Approved
0.5876 Remote Similarity NPD5739 Approved
0.5862 Remote Similarity NPD7524 Approved
0.5862 Remote Similarity NPD7750 Discontinued
0.5857 Remote Similarity NPD287 Approved
0.5851 Remote Similarity NPD7639 Approved
0.5851 Remote Similarity NPD7640 Approved
0.5844 Remote Similarity NPD4691 Approved
0.5844 Remote Similarity NPD4747 Approved
0.5843 Remote Similarity NPD3168 Discontinued
0.5824 Remote Similarity NPD7900 Approved
0.5824 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5824 Remote Similarity NPD6001 Approved
0.5816 Remote Similarity NPD5701 Approved
0.5816 Remote Similarity NPD5697 Approved
0.5806 Remote Similarity NPD6083 Phase 2
0.5806 Remote Similarity NPD6084 Phase 2
0.5797 Remote Similarity NPD4219 Approved
0.5795 Remote Similarity NPD5208 Approved
0.5795 Remote Similarity NPD4518 Approved
0.5765 Remote Similarity NPD4788 Approved
0.5761 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5758 Remote Similarity NPD4729 Approved
0.5758 Remote Similarity NPD5128 Approved
0.5758 Remote Similarity NPD4730 Approved
0.5758 Remote Similarity NPD7320 Approved
0.5758 Remote Similarity NPD6899 Approved
0.5758 Remote Similarity NPD6011 Approved
0.5758 Remote Similarity NPD6881 Approved
0.5747 Remote Similarity NPD5330 Approved
0.5747 Remote Similarity NPD7521 Approved
0.5747 Remote Similarity NPD7334 Approved
0.5747 Remote Similarity NPD6409 Approved
0.5747 Remote Similarity NPD7146 Approved
0.5747 Remote Similarity NPD6684 Approved
0.5745 Remote Similarity NPD5696 Approved
0.5745 Remote Similarity NPD4225 Approved
0.573 Remote Similarity NPD6051 Approved
0.573 Remote Similarity NPD6080 Approved
0.573 Remote Similarity NPD5764 Clinical (unspecified phase)
0.573 Remote Similarity NPD6673 Approved
0.573 Remote Similarity NPD6101 Approved
0.573 Remote Similarity NPD6904 Approved
0.5714 Remote Similarity NPD6902 Approved
0.5714 Remote Similarity NPD4267 Clinical (unspecified phase)
0.57 Remote Similarity NPD6373 Approved
0.57 Remote Similarity NPD6012 Approved
0.57 Remote Similarity NPD6013 Approved
0.57 Remote Similarity NPD6014 Approved
0.57 Remote Similarity NPD6372 Approved
0.5692 Remote Similarity NPD9410 Clinical (unspecified phase)
0.5676 Remote Similarity NPD371 Approved
0.5667 Remote Similarity NPD5207 Approved
0.5667 Remote Similarity NPD4001 Clinical (unspecified phase)
0.5667 Remote Similarity NPD5692 Phase 3
0.5652 Remote Similarity NPD5707 Approved
0.5644 Remote Similarity NPD5250 Approved
0.5644 Remote Similarity NPD5169 Approved
0.5644 Remote Similarity NPD5249 Phase 3
0.5644 Remote Similarity NPD6883 Approved
0.5644 Remote Similarity NPD7290 Approved
0.5644 Remote Similarity NPD5251 Approved
0.5644 Remote Similarity NPD5248 Approved
0.5644 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5644 Remote Similarity NPD7102 Approved
0.5644 Remote Similarity NPD5247 Approved
0.5644 Remote Similarity NPD4634 Approved

Structure

External Identifiers

PubChem CID   10398656
ChEMBL   CHEMBL486795
ZINC  

Physicochemical Properties

Molecular Weight:  222.20
ALogP:  1.3641
MLogP:  3
XLogP:  4.476
# Rotatable Bonds:  6
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  16

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Similar NPs/Drugs