Natural Product: NPC208198

Natural Product ID:  NPC208198
Common Name:   Voleneol
IUPAC Name:   (1S,2S,4aR,5R,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
Synonyms:  
Molecular Formula:   C15H26O2
Standard InCHIKey:  WKKJGHCXVKEJNU-QRTUWBSPSA-N
Standard InCHI:  InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15-/m0/s1
Canonical SMILES:  C=C1CC[C@H]([C@]2([C@H]1[C@@H](O)[C@@H](CC2)C(C)C)C)O
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
NPO21725 Uncaria glabrata Species Rubiaceae Eukaryota UNPD*
NPO21128 Porella navicularis Species Porellaceae Eukaryota UNPD*
NPO17668 Artemisia gmelinii Species Asteraceae Eukaryota UNPD*
NPO5043 Eria japonica Species Orchidaceae Eukaryota UNPD*
NPO20815 Lindera fruticosa Species Lauraceae Eukaryota UNPD*
NPO20967 Doriopsilla albopunctata Species Dendrodorididae Eukaryota UNPD*
NPO20522 Pyura sacciformis Species Pyuridae Eukaryota UNPD*
NPO23006 Moringa stenopetala Species Moringaceae Eukaryota UNPD*
NPO15478 Senna sophera Species Fabaceae Eukaryota UNPD*
NPO21158 Viburnum fur Species Adoxaceae Eukaryota UNPD*
NPO20088 Piper sintenense Species Piperaceae Eukaryota UNPD*
NPO23948 Serratia plymuthica Species Yersiniaceae Bacteria UNPD*
NPO8115 Polyopes affinis Species Halymeniaceae Eukaryota UNPD*
NPO22953 Eupatorium pauciflorum Species Asteraceae Eukaryota UNPD*
NPO208 Tersonia brevipes Species Gyrostemonaceae Eukaryota UNPD*
NPO13409 Crocus asturicus Species Iridaceae Eukaryota UNPD*
NPO19891 Diospyros crassiflora Species Ebenaceae Eukaryota UNPD*
NPO1257 Distephanus angulifolius Species Asteraceae Eukaryota UNPD*
NPO23914 Psychotria colorata Species Rubiaceae Eukaryota UNPD*
NPO2616 Piptocarpha chontalensis Species Asteraceae Eukaryota UNPD*
NPO8934 Gypsophila perfoliata Species Caryophyllaceae Eukaryota UNPD*
NPO22722 Ranunculus japonicus Species Ranunculaceae Eukaryota UNPD*
NPO24245 Artemisia tripartita Species Asteraceae Eukaryota UNPD*
NPO20261 Teucrium trifidum Species Lamiaceae Eukaryota UNPD*
NPO16184 Asclepias asperula Species Apocynaceae Eukaryota UNPD*
NPO21089 Mourera fluviatilis Species Podostemaceae Eukaryota UNPD*
NPO12796 Periploca sepium Species Apocynaceae Eukaryota UNPD*
NPO23445 Vernonia triflosculosa Species Asteraceae Eukaryota UNPD*
NPO17376 Bacillus amyloliquefaciens Species Bacillaceae Bacteria UNPD*
NPO23158 Penicillium carminoviolaceum Species Aspergillaceae Eukaryota UNPD*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TCM_Taiwan*
NPO20771 Thalictrum fortunei Species Ranunculaceae Eukaryota UNPD*
NPO24560 Ricinus communis Species Euphorbiaceae Eukaryota UNPD*
NPO11843 Stephania zippeliana Species Menispermaceae Eukaryota UNPD*
NPO22051 Litsea verticillata Species Lauraceae Eukaryota TCM_Taiwan*
NPO22032 Pelargonium tomentosum Species Geraniaceae Eukaryota UNPD*
NPO20936 Arecastrum romanzoffianum NA NA NA UNPD*
NPO60 Neoshirakia japonica Species Euphorbiaceae Eukaryota UNPD*
NPO21654 Cyerce cristallina Species Caliphyllidae Eukaryota UNPD*
NPO23270 Neolitsea daibuensis Species Lauraceae Eukaryota Root PMID[22148193]
NPO20021 Physcia aegialita Species Physciaceae Eukaryota UNPD*
NPO21032 Manilkara hexandra Species Sapotaceae Eukaryota UNPD*
NPO9319 Pterocaulon virgatum Species Asteraceae Eukaryota UNPD*
NPO22048 Pteris palmiformis Species Pteridaceae Eukaryota UNPD*
NPO26589 Artemisia annua Species Asteraceae Eukaryota TCM_Taiwan*
NPO23843 Clerodendrum grayi Species Lamiaceae Eukaryota UNPD*
NPO24409 Evasterias troschelii Species Asteriidae Eukaryota UNPD*
NPO21278 Lysimachia clethroides Species Primulaceae Eukaryota UNPD*
NPO13135 Campylotropis hirtella Species Fabaceae Eukaryota UNPD*
NPO28005.2 Panax japonicus var. major (burk.) wu et feng Varieties Araliaceae Eukaryota Root PMID[21417387]
NPO24121 Vernoniopsis caudata NA NA NA UNPD*
NPO20226 Artemisia filatovae Species Asteraceae Eukaryota UNPD*
NPO1815 Breonia chinensis Species Rubiaceae Eukaryota UNPD*
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota UNPD*
NPO5608 Croton gratissimus Species Euphorbiaceae Eukaryota Stems PMID[22032651]
NPO21720 Talaromyces variabilis Species Trichocomaceae Eukaryota UNPD*
NPO24776 Euryops jacksonii Species Asteraceae Eukaryota UNPD*
NPO22499 Corydalis flabellata Species Papaveraceae Eukaryota UNPD*
NPO7100 Cynanchum sibiricum Species Apocynaceae Eukaryota UNPD*
NPO5608 Croton gratissimus Species Euphorbiaceae Eukaryota Leaves PMID[22032651]
NPO23376 Genista aetnensis Species Fabaceae Eukaryota UNPD*
NPO14240 Justicia ghiesbreghtiana Species Acanthaceae Eukaryota UNPD*
NPO25111 Streptomyces tanashiensis Species Streptomycetaceae Bacteria UNPD*
NPO14448 Laurencia venusta Species Rhodomelaceae Eukaryota UNPD*
NPO6811 Lecanora rupicola Species Lecanoraceae Eukaryota UNPD*
NPO526 Salvia sessei Species Lamiaceae Eukaryota UNPD*
NPO3873 Crotalaria candicans Species Fabaceae Eukaryota UNPD*
NPO13388 Lithophyllum incrustans Species Corallinaceae Eukaryota UNPD*
NPO10638 Plectranthus myrianthus Species Lamiaceae Eukaryota UNPD*
NPO20583 Phaulopsis imbricata Species Acanthaceae Eukaryota UNPD*
NPO16803 Libanothamnus occultus Species Asteraceae Eukaryota UNPD*
NPO21803 Gentianopsis paludosa Species Gentianaceae Eukaryota UNPD*
NPO22438 Asclepias speciosa Species Apocynaceae Eukaryota UNPD*
NPO22887 Scutellaria violacea Species Lamiaceae Eukaryota UNPD*
NPO6289 Ceropegia dichotoma Species Apocynaceae Eukaryota UNPD*
NPO22571 Cystosphaera jacquinotii Species Seirococcaceae Eukaryota UNPD*
NPO15812 Staurogyne merguensis Species Acanthaceae Eukaryota UNPD*
NPO27489 Alloascoidea hylecoeti Species Alloascoideaceae Eukaryota UNPD*
NPO9704 Sonneratia caseolaris Species Lythraceae Eukaryota UNPD*
NPO21121 Ips japonicus Species Curculionidae Eukaryota UNPD*
NPO11576 Glycosmis macrophylla Species Rutaceae Eukaryota UNPD*
NPO10278 Lycopodium verticillatum Species Lycopodiaceae Eukaryota UNPD*
NPO21221 Trapa bispinosa Species Lythraceae Eukaryota UNPD*
NPO791 Laburnum anagyroides Species Fabaceae Eukaryota UNPD*
NPO21683 Selaginella lepidophylla Species Selaginellaceae Eukaryota UNPD*
NPO21599 Ricciocarpos natans Species Ricciaceae Eukaryota UNPD*
NPO19778 Streptomyces flaveus Species Streptomycetaceae Bacteria UNPD*
NPO5456 Juniperus drupacea Species Cupressaceae Eukaryota UNPD*
NPO23279 Guapira graciliflora Species Nyctaginaceae Eukaryota UNPD*
NPO10308 Clerodendrum brachyanthum Species Lamiaceae Eukaryota UNPD*
NPO15568 Nephthea elongata Species Nephtheidae Eukaryota UNPD*
NPO9632 Annona reticulata Species Annonaceae Eukaryota UNPD*
NPO27929 Aphanamixis polystachya Species Meliaceae Eukaryota UNPD*
NPO21413 Armillaria tabescens Species Physalacriaceae Eukaryota UNPD*
NPO22794 Mycale laevis Species Mycalidae Eukaryota UNPD*
NPO20707 Stillingia sanguinolenta Species Euphorbiaceae Eukaryota UNPD*
NPO7773 Crinum moorei Species Amaryllidaceae Eukaryota UNPD*
NPO15763 Huperzia lucidula Species Lycopodiaceae Eukaryota UNPD*
NPO21787 Betula pubescens Species Betulaceae Eukaryota UNPD*
NPO865 Dendrobium loddigesii Species Orchidaceae Eukaryota UNPD*
NPO20203 Syringa komarowi Species Oleaceae Eukaryota UNPD*
NPO20896 Mimosa tenuiflora Species Fabaceae Eukaryota UNPD*
NPO11190 Veronica polita Species Plantaginaceae Eukaryota UNPD*
NPO20381 Echites hirsuta Species Apocynaceae Eukaryota UNPD*
NPO24127 Geranium caespitosum Species Geraniaceae Eukaryota UNPD*
NPO10922 Pentaclethra macrophylla Species Fabaceae Eukaryota UNPD*
NPO26325 Annulusmagnus triseptatus Species Annulatascaceae Eukaryota UNPD*
NPO18589 Allopora californica NA NA NA UNPD*
NPO19965 Helenium alternifolium Species Asteraceae Eukaryota UNPD*
NPO23603 Garcinia thwaitesii Species Clusiaceae Eukaryota UNPD*
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota UNPD*
NPO23881 Erylus formosus Species Geodiidae Eukaryota UNPD*
NPO9033 Anthyllis hermanniae Species Fabaceae Eukaryota UNPD*
NPO3898 Cryptocarya velutinosa Species Lauraceae Eukaryota UNPD*
NPO28103 Erica carnea Species Ericaceae Eukaryota UNPD*
NPO12205 Eucalyptus apodophylla Species Myrtaceae Eukaryota UNPD*
NPO12041 Parmelia barbata Species Parmeliaceae Eukaryota UNPD*
NPO7822.1 Eucalyptus globulus subsp. bicostata Subspecies Myrtaceae Eukaryota UNPD*
NPO22113 Anthocercis genistoides Species Solanaceae Eukaryota UNPD*
NPO20362 Ruta montana Species Rutaceae Eukaryota UNPD*
NPO19712 Heliocidaris crassispina Species Echinometridae Eukaryota UNPD*
NPO20457 Spirastrella inconstans Species Spirastrellidae Eukaryota UNPD*
NPO12091 Martensia denticulata Species Delesseriaceae Eukaryota UNPD*
NPO19955 Achillea abrotanoides Species Asteraceae Eukaryota UNPD*
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota UNPD*
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota UNPD*
NPO4048 Inga longispica Species Oecophoridae Eukaryota UNPD*
NPO4478 Parmelia pseudoreticulata Species Parmeliaceae Eukaryota UNPD*
NPO10950 Usnea magellanica Species Parmeliaceae Eukaryota UNPD*
NPO22372 Callicarpa bodinieri Species Lamiaceae Eukaryota UNPD*
NPO20835 Medicago truncatula Species Fabaceae Eukaryota UNPD*
NPO6731 Ononis spinosa Species Fabaceae Eukaryota UNPD*
NPO24214 Axinella tenuidigitata Species Axinellidae Eukaryota UNPD*
NPO10605 Tristania conferta Species Myrtaceae Eukaryota UNPD*
NPO22308 Stevia satureiaefolia Species Asteraceae Eukaryota UNPD*
NPO16971 Sparassis crispa Species Sparassidaceae Eukaryota UNPD*
NPO19258 Empleurum serrulatum Species Rutaceae Eukaryota UNPD*
NPO22051 Litsea verticillata Species Lauraceae Eukaryota PMID[12762792]
NPO9532 Vernonia cistifolia Species Asteraceae Eukaryota UNPD*
NPO23495 Millettia griffoniana Species Fabaceae Eukaryota UNPD*
NPO24411 Pentaspadon motleyi Species Anacardiaceae Eukaryota UNPD*
NPO22713 Aquilegia flabellata Species Ranunculaceae Eukaryota UNPD*
NPO22691 Mentha cardiaca Species Lamiaceae Eukaryota UNPD*
NPO22756 Epimedium versicolor Species Berberidaceae Eukaryota UNPD*
NPO18123 Dichapetalum madagascariense Species Dichapetalaceae Eukaryota UNPD*
NPO9348 Cananga odorata Species Annonaceae Eukaryota Flower buds Thailand PMID[24601675]
NPO12565 Hypericum polyanthemum Species Hypericaceae Eukaryota UNPD*
NPO27733 Rosa hybrid cultivar Species Rosaceae Eukaryota UNPD*
NPO24086 Pinus virginiana Species Pinaceae Eukaryota UNPD*
NPO23384 Rhodiola semenovii Species Crassulaceae Eukaryota UNPD*
NPO22698 Achillea pannonica Species Asteraceae Eukaryota UNPD*
NPO23676 Fleroya rubrostipulata Species Rubiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Inhibition = 39 % 12762792
NPT2 Others Unspecified Inhibition = 42.3 % 24601675
NPT2 Others Unspecified Inhibition = 39.7 % 24601675
NPT2 Others Unspecified Inhibition = 53.8 % 24601675
NPT2 Others Unspecified Inhibition = 54.7 % 24601675
NPT2 Others Unspecified Inhibition = 59.2 % 24601675
NPT2 Others Unspecified Inhibition = 8.4 % 24601675
NPT2 Others Unspecified Activity > 74.5 % 24601675

  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 NPC208198 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 NPC282619
1.0 High Similarity NPC172613
1.0 High Similarity NPC2728
1.0 High Similarity NPC60837
1.0 High Similarity NPC11555
0.9508 High Similarity NPC144650
0.9508 High Similarity NPC101128
0.9365 High Similarity NPC185874
0.9365 High Similarity NPC139207
0.9206 High Similarity NPC473929
0.9062 High Similarity NPC253303
0.9062 High Similarity NPC269077
0.9048 High Similarity NPC258595
0.8955 High Similarity NPC95165
0.8939 High Similarity NPC92801
0.8923 High Similarity NPC276616
0.8923 High Similarity NPC244790
0.8889 High Similarity NPC68656
0.8689 High Similarity NPC189290
0.8689 High Similarity NPC474769
0.8657 High Similarity NPC283316
0.8636 High Similarity NPC245795
0.8615 High Similarity NPC475897
0.8529 High Similarity NPC167706
0.8529 High Similarity NPC164022
0.8507 High Similarity NPC234511
0.85 High Similarity NPC67508
0.85 High Similarity NPC84824
0.8429 Intermediate Similarity NPC291503
0.8429 Intermediate Similarity NPC3403
0.8406 Intermediate Similarity NPC211009
0.8382 Intermediate Similarity NPC45296
0.8361 Intermediate Similarity NPC264779
0.8358 Intermediate Similarity NPC266578
0.831 Intermediate Similarity NPC14112
0.831 Intermediate Similarity NPC86305
0.831 Intermediate Similarity NPC63958
0.8308 Intermediate Similarity NPC219940
0.8286 Intermediate Similarity NPC308440
0.8286 Intermediate Similarity NPC472503
0.8286 Intermediate Similarity NPC477138
0.8286 Intermediate Similarity NPC243342
0.8261 Intermediate Similarity NPC301226
0.8261 Intermediate Similarity NPC242001
0.8261 Intermediate Similarity NPC111234
0.8235 Intermediate Similarity NPC9942
0.8235 Intermediate Similarity NPC210323
0.8219 Intermediate Similarity NPC5604
0.8194 Intermediate Similarity NPC471798
0.8194 Intermediate Similarity NPC130136
0.8194 Intermediate Similarity NPC138502
0.8194 Intermediate Similarity NPC91594
0.8182 Intermediate Similarity NPC300442
0.8169 Intermediate Similarity NPC231256
0.8169 Intermediate Similarity NPC185536
0.8169 Intermediate Similarity NPC230704
0.8169 Intermediate Similarity NPC240235
0.8169 Intermediate Similarity NPC104387
0.8169 Intermediate Similarity NPC70982
0.8169 Intermediate Similarity NPC212879
0.8169 Intermediate Similarity NPC178383
0.8169 Intermediate Similarity NPC477923
0.8169 Intermediate Similarity NPC144075
0.8169 Intermediate Similarity NPC66566
0.8143 Intermediate Similarity NPC182717
0.8143 Intermediate Similarity NPC68443
0.8143 Intermediate Similarity NPC471799
0.8116 Intermediate Similarity NPC145498
0.8108 Intermediate Similarity NPC78545
0.8108 Intermediate Similarity NPC71535
0.8108 Intermediate Similarity NPC47149
0.8088 Intermediate Similarity NPC208999
0.8088 Intermediate Similarity NPC2648
0.8082 Intermediate Similarity NPC301707
0.8082 Intermediate Similarity NPC244385
0.8082 Intermediate Similarity NPC474989
0.8082 Intermediate Similarity NPC138621
0.8082 Intermediate Similarity NPC477817
0.8082 Intermediate Similarity NPC472502
0.8082 Intermediate Similarity NPC22955
0.8082 Intermediate Similarity NPC99168
0.8082 Intermediate Similarity NPC475
0.8082 Intermediate Similarity NPC477819
0.8082 Intermediate Similarity NPC300499
0.8082 Intermediate Similarity NPC470396
0.8082 Intermediate Similarity NPC6978
0.8082 Intermediate Similarity NPC167037
0.806 Intermediate Similarity NPC476406
0.8056 Intermediate Similarity NPC93662
0.8056 Intermediate Similarity NPC278091
0.8056 Intermediate Similarity NPC91573
0.8056 Intermediate Similarity NPC106432
0.8056 Intermediate Similarity NPC477925
0.8056 Intermediate Similarity NPC38141
0.8056 Intermediate Similarity NPC265588
0.8056 Intermediate Similarity NPC274079
0.8056 Intermediate Similarity NPC78067
0.803 Intermediate Similarity NPC225415
0.8028 Intermediate Similarity NPC100334
0.8028 Intermediate Similarity NPC25511
0.8028 Intermediate Similarity NPC201048
0.8028 Intermediate Similarity NPC62657
0.8028 Intermediate Similarity NPC49168
0.8028 Intermediate Similarity NPC254509
0.8028 Intermediate Similarity NPC471797
0.8028 Intermediate Similarity NPC91858
0.8028 Intermediate Similarity NPC192638
0.8028 Intermediate Similarity NPC145552
0.8028 Intermediate Similarity NPC196358
0.8028 Intermediate Similarity NPC5046
0.8028 Intermediate Similarity NPC476366
0.8 Intermediate Similarity NPC477792
0.8 Intermediate Similarity NPC157655
0.8 Intermediate Similarity NPC209318
0.8 Intermediate Similarity NPC223330
0.8 Intermediate Similarity NPC476646
0.8 Intermediate Similarity NPC23954
0.8 Intermediate Similarity NPC242992
0.7973 Intermediate Similarity NPC472463
0.7973 Intermediate Similarity NPC53744
0.7973 Intermediate Similarity NPC80530
0.7973 Intermediate Similarity NPC24504
0.7973 Intermediate Similarity NPC470429
0.7973 Intermediate Similarity NPC291379
0.7973 Intermediate Similarity NPC273410
0.7945 Intermediate Similarity NPC260301
0.7945 Intermediate Similarity NPC202540
0.7945 Intermediate Similarity NPC331618
0.7945 Intermediate Similarity NPC119355
0.7945 Intermediate Similarity NPC90979
0.7945 Intermediate Similarity NPC157996
0.7945 Intermediate Similarity NPC34177
0.7945 Intermediate Similarity NPC477924
0.7945 Intermediate Similarity NPC40394
0.7945 Intermediate Similarity NPC248830
0.7945 Intermediate Similarity NPC212241
0.7945 Intermediate Similarity NPC470711
0.7945 Intermediate Similarity NPC470758
0.7945 Intermediate Similarity NPC307336
0.7945 Intermediate Similarity NPC257191
0.7945 Intermediate Similarity NPC101475
0.7945 Intermediate Similarity NPC472805
0.7937 Intermediate Similarity NPC236588
0.7917 Intermediate Similarity NPC200243
0.7917 Intermediate Similarity NPC32832
0.791 Intermediate Similarity NPC27243
0.791 Intermediate Similarity NPC64123
0.791 Intermediate Similarity NPC476737
0.7887 Intermediate Similarity NPC265485
0.7887 Intermediate Similarity NPC474140
0.7887 Intermediate Similarity NPC472506
0.7887 Intermediate Similarity NPC195489
0.7887 Intermediate Similarity NPC220939
0.7867 Intermediate Similarity NPC102253
0.7867 Intermediate Similarity NPC322313
0.7867 Intermediate Similarity NPC287749
0.7867 Intermediate Similarity NPC475679
0.7867 Intermediate Similarity NPC236237
0.7867 Intermediate Similarity NPC96362
0.7857 Intermediate Similarity NPC34834
0.7838 Intermediate Similarity NPC472342
0.7838 Intermediate Similarity NPC196753
0.7838 Intermediate Similarity NPC285761
0.7838 Intermediate Similarity NPC472501
0.7838 Intermediate Similarity NPC102708
0.7838 Intermediate Similarity NPC230295
0.7838 Intermediate Similarity NPC275910
0.7838 Intermediate Similarity NPC31828
0.7838 Intermediate Similarity NPC158662
0.7838 Intermediate Similarity NPC98386
0.7838 Intermediate Similarity NPC472499
0.7838 Intermediate Similarity NPC42853
0.7838 Intermediate Similarity NPC253807
0.7838 Intermediate Similarity NPC472500
0.7826 Intermediate Similarity NPC96484
0.7826 Intermediate Similarity NPC471238
0.7808 Intermediate Similarity NPC96319
0.7808 Intermediate Similarity NPC265328
0.7808 Intermediate Similarity NPC321016
0.7808 Intermediate Similarity NPC240604
0.7808 Intermediate Similarity NPC189883
0.7808 Intermediate Similarity NPC106364
0.7808 Intermediate Similarity NPC290598
0.7808 Intermediate Similarity NPC321381
0.7808 Intermediate Similarity NPC122418
0.7808 Intermediate Similarity NPC300324
0.7808 Intermediate Similarity NPC120098
0.7808 Intermediate Similarity NPC27765
0.7808 Intermediate Similarity NPC107059
0.7808 Intermediate Similarity NPC73875
0.7808 Intermediate Similarity NPC470766
0.7808 Intermediate Similarity NPC470749
0.7808 Intermediate Similarity NPC237460
0.7808 Intermediate Similarity NPC30590
0.7794 Intermediate Similarity NPC202017
0.7792 Intermediate Similarity NPC232023
0.7778 Intermediate Similarity NPC39068
0.7778 Intermediate Similarity NPC306727
0.7778 Intermediate Similarity NPC476736
0.7763 Intermediate Similarity NPC474531

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC208198 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
0.7867 Intermediate Similarity NPD7525 Registered
0.7808 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD7645 Phase 2
0.7671 Intermediate Similarity NPD6942 Approved
0.7671 Intermediate Similarity NPD7339 Approved
0.7534 Intermediate Similarity NPD6924 Approved
0.7534 Intermediate Similarity NPD6926 Approved
0.7403 Intermediate Similarity NPD7509 Discontinued
0.7333 Intermediate Similarity NPD6933 Approved
0.7222 Intermediate Similarity NPD6923 Approved
0.7222 Intermediate Similarity NPD6922 Approved
0.7215 Intermediate Similarity NPD3667 Approved
0.7167 Intermediate Similarity NPD385 Approved
0.7167 Intermediate Similarity NPD384 Approved
0.716 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD7144 Approved
0.7123 Intermediate Similarity NPD7143 Approved
0.7073 Intermediate Similarity NPD3618 Phase 1
0.7051 Intermediate Similarity NPD6929 Approved
0.7037 Intermediate Similarity NPD4786 Approved
0.7027 Intermediate Similarity NPD7151 Approved
0.7027 Intermediate Similarity NPD7152 Approved
0.7027 Intermediate Similarity NPD7150 Approved
0.6974 Remote Similarity NPD8264 Approved
0.6962 Remote Similarity NPD4748 Discontinued
0.6962 Remote Similarity NPD6931 Approved
0.6962 Remote Similarity NPD6930 Phase 2
0.6957 Remote Similarity NPD368 Approved
0.6842 Remote Similarity NPD4785 Approved
0.6842 Remote Similarity NPD4784 Approved
0.6829 Remote Similarity NPD3666 Approved
0.6829 Remote Similarity NPD3665 Phase 1
0.6829 Remote Similarity NPD3133 Approved
0.6829 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6824 Remote Similarity NPD5328 Approved
0.68 Remote Similarity NPD4243 Approved
0.6795 Remote Similarity NPD6932 Approved
0.6795 Remote Similarity NPD5776 Phase 2
0.6795 Remote Similarity NPD6925 Approved
0.6786 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6782 Remote Similarity NPD4202 Approved
0.6757 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6709 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6709 Remote Similarity NPD7145 Approved
0.6707 Remote Similarity NPD6695 Phase 3
0.6707 Remote Similarity NPD4788 Approved
0.6667 Remote Similarity NPD8034 Phase 2
0.6667 Remote Similarity NPD8035 Phase 2
0.6667 Remote Similarity NPD6079 Approved
0.6667 Remote Similarity NPD7515 Phase 2
0.6625 Remote Similarity NPD6683 Phase 2
0.6548 Remote Similarity NPD6893 Approved
0.6543 Remote Similarity NPD7332 Phase 2
0.6543 Remote Similarity NPD7514 Phase 3
0.6538 Remote Similarity NPD5275 Approved
0.6538 Remote Similarity NPD4190 Phase 3
0.6533 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6533 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6484 Remote Similarity NPD4755 Approved
0.6463 Remote Similarity NPD6902 Approved
0.6463 Remote Similarity NPD6898 Phase 1
0.6447 Remote Similarity NPD4787 Phase 1
0.6438 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6429 Remote Similarity NPD3668 Phase 3
0.642 Remote Similarity NPD4195 Approved
0.6404 Remote Similarity NPD6399 Phase 3
0.6395 Remote Similarity NPD7750 Discontinued
0.6395 Remote Similarity NPD7524 Approved
0.6375 Remote Similarity NPD6116 Phase 1
0.6374 Remote Similarity NPD5222 Approved
0.6374 Remote Similarity NPD5221 Approved
0.6374 Remote Similarity NPD4697 Phase 3
0.6374 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6344 Remote Similarity NPD5286 Approved
0.6344 Remote Similarity NPD4696 Approved
0.6344 Remote Similarity NPD4700 Approved
0.6344 Remote Similarity NPD5285 Approved
0.6341 Remote Similarity NPD4695 Discontinued
0.6333 Remote Similarity NPD7748 Approved
0.6329 Remote Similarity NPD3703 Phase 2
0.6324 Remote Similarity NPD342 Phase 1
0.6316 Remote Similarity NPD3698 Phase 2
0.6304 Remote Similarity NPD7902 Approved
0.6304 Remote Similarity NPD5173 Approved
0.6301 Remote Similarity NPD371 Approved
0.6279 Remote Similarity NPD5279 Phase 3
0.6277 Remote Similarity NPD5223 Approved
0.625 Remote Similarity NPD6117 Approved
0.625 Remote Similarity NPD4753 Phase 2
0.6237 Remote Similarity NPD7638 Approved
0.6237 Remote Similarity NPD5290 Discontinued
0.6237 Remote Similarity NPD4225 Approved
0.6234 Remote Similarity NPD4245 Approved
0.6234 Remote Similarity NPD4244 Approved
0.6211 Remote Similarity NPD5226 Approved
0.6211 Remote Similarity NPD5225 Approved
0.6211 Remote Similarity NPD5211 Phase 2
0.6211 Remote Similarity NPD5224 Approved
0.6211 Remote Similarity NPD4633 Approved
0.6203 Remote Similarity NPD6113 Clinical (unspecified phase)
0.619 Remote Similarity NPD4223 Phase 3
0.619 Remote Similarity NPD4221 Approved
0.617 Remote Similarity NPD7640 Approved
0.617 Remote Similarity NPD7639 Approved
0.6146 Remote Similarity NPD4754 Approved
0.6146 Remote Similarity NPD5175 Approved
0.6146 Remote Similarity NPD5174 Approved
0.6111 Remote Similarity NPD1145 Discontinued
0.6111 Remote Similarity NPD7087 Discontinued
0.6098 Remote Similarity NPD6115 Approved
0.6098 Remote Similarity NPD6118 Approved
0.6098 Remote Similarity NPD3617 Approved
0.6098 Remote Similarity NPD6114 Approved
0.6098 Remote Similarity NPD6697 Approved
0.6092 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6082 Remote Similarity NPD5141 Approved
0.6047 Remote Similarity NPD4197 Approved
0.6026 Remote Similarity NPD4789 Approved
0.602 Remote Similarity NPD4767 Approved
0.602 Remote Similarity NPD6675 Approved
0.602 Remote Similarity NPD7128 Approved
0.602 Remote Similarity NPD4768 Approved
0.602 Remote Similarity NPD5739 Approved
0.602 Remote Similarity NPD6402 Approved
0.5978 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5978 Remote Similarity NPD7900 Approved
0.5977 Remote Similarity NPD5329 Approved
0.5974 Remote Similarity NPD6705 Phase 1
0.5968 Remote Similarity NPD1799 Clinical (unspecified phase)
0.596 Remote Similarity NPD5701 Approved
0.596 Remote Similarity NPD5697 Approved
0.5952 Remote Similarity NPD6928 Phase 2
0.5938 Remote Similarity NPD4159 Approved
0.5938 Remote Similarity NPD386 Approved
0.5938 Remote Similarity NPD388 Approved
0.5934 Remote Similarity NPD6411 Approved
0.5914 Remote Similarity NPD5210 Approved
0.5914 Remote Similarity NPD4629 Approved
0.5909 Remote Similarity NPD4138 Approved
0.5909 Remote Similarity NPD5330 Approved
0.5909 Remote Similarity NPD6684 Approved
0.5909 Remote Similarity NPD4693 Phase 3
0.5909 Remote Similarity NPD6409 Approved
0.5909 Remote Similarity NPD4689 Approved
0.5909 Remote Similarity NPD7146 Approved
0.5909 Remote Similarity NPD4519 Discontinued
0.5909 Remote Similarity NPD7521 Approved
0.5909 Remote Similarity NPD4688 Approved
0.5909 Remote Similarity NPD5205 Approved
0.5909 Remote Similarity NPD7334 Approved
0.5909 Remote Similarity NPD4690 Approved
0.5909 Remote Similarity NPD4623 Approved
0.5904 Remote Similarity NPD3671 Phase 1
0.59 Remote Similarity NPD5128 Approved
0.59 Remote Similarity NPD4729 Approved
0.59 Remote Similarity NPD6881 Approved
0.59 Remote Similarity NPD6011 Approved
0.59 Remote Similarity NPD6899 Approved
0.59 Remote Similarity NPD7320 Approved
0.59 Remote Similarity NPD4730 Approved
0.5842 Remote Similarity NPD6372 Approved
0.5842 Remote Similarity NPD6014 Approved
0.5842 Remote Similarity NPD6013 Approved
0.5842 Remote Similarity NPD6373 Approved
0.5842 Remote Similarity NPD6012 Approved
0.5824 Remote Similarity NPD7136 Phase 2
0.5802 Remote Similarity NPD1810 Approved
0.5802 Remote Similarity NPD1811 Approved
0.5795 Remote Similarity NPD1696 Phase 3
0.5789 Remote Similarity NPD6083 Phase 2
0.5789 Remote Similarity NPD6084 Phase 2
0.5784 Remote Similarity NPD5248 Approved
0.5784 Remote Similarity NPD6883 Approved
0.5784 Remote Similarity NPD5247 Approved
0.5784 Remote Similarity NPD5135 Approved
0.5784 Remote Similarity NPD5249 Phase 3
0.5784 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5784 Remote Similarity NPD5250 Approved
0.5784 Remote Similarity NPD5251 Approved
0.5784 Remote Similarity NPD7290 Approved
0.5784 Remote Similarity NPD4634 Approved
0.5784 Remote Similarity NPD7102 Approved
0.5784 Remote Similarity NPD5169 Approved
0.5778 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5778 Remote Similarity NPD4722 Approved
0.5778 Remote Similarity NPD4723 Approved
0.5778 Remote Similarity NPD6903 Approved
0.5769 Remote Similarity NPD5360 Phase 3
0.5769 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5765 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5761 Remote Similarity NPD7637 Suspended
0.5743 Remote Similarity NPD5168 Approved
0.573 Remote Similarity NPD5690 Phase 2
0.573 Remote Similarity NPD5280 Approved
0.573 Remote Similarity NPD4694 Approved
0.5728 Remote Similarity NPD5217 Approved
0.5728 Remote Similarity NPD6649 Approved
0.5728 Remote Similarity NPD5215 Approved

Structure

External Identifiers

PubChem CID   14137570
ChEMBL   CHEMBL461399
ZINC  

Physicochemical Properties

Molecular Weight:  238.19
ALogP:  -0.009
MLogP:  2.89
XLogP:  2.414
# Rotatable Bonds:  6
Polar Surface Area:  40.46
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  17

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