Natural Product: NPC297643

Natural Product ID:  NPC297643
Common Name:   Bisabolone
IUPAC Name:   (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene
Synonyms:   Bisabolone
Molecular Formula:   C15H24
Standard InCHIKey:  XZRVRYFILCSYSP-OAHLLOKOSA-N
Standard InCHI:  InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1
Canonical SMILES:  CC(=CCCC(=C)[C@H]1CCC(=CC1)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
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota TM-MC*
NPO17179 Elizabethkingia meningoseptica Species Flavobacteriaceae Bacteria UNPD*
NPO30699 Masla dianthera NA NA NA TCM_Taiwan*
NPO4836 Sideritis arborescens Species Lamiaceae Eukaryota UNPD*
NPO10044 Bombina maxima Species Bombinatoridae Eukaryota UNPD*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota TM-MC*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota TM-MC*
NPO2008 Streptomyces ehimensis Species Streptomycetaceae Bacteria UNPD*
NPO31073 Ligusticum chuanxiong Species Apiaceae Eukaryota TCM_Taiwan*
NPO4368 Magnolia officinalis Species Magnoliaceae Eukaryota HerDing*
NPO9236 Helminthosporium velutinum Species Massarinaceae Eukaryota UNPD*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO18952 Sambucus nigra Species Adoxaceae Eukaryota UNPD*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TCM_Taiwan*
NPO14255 Streptomyces flocculus Species Streptomycetaceae Bacteria UNPD*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota TM-MC*
NPO20712 Panax quinquefolius Species Araliaceae Eukaryota TCMID*
NPO1541 Clusia ellipticifolia Species Clusiidae Eukaryota UNPD*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota HerDing*
NPO8306 Berneuxia thibetica Species Diapensiaceae Eukaryota UNPD*
NPO29575 Ardisiae japonicae herba NA NA NA TCMSP*
NPO13274 Illicium verum Species Schisandraceae Eukaryota TM-MC*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TCMID*
NPO1214 Litsea aurata Species Lauraceae Eukaryota UNPD*
NPO7998 Senecio paludaffinis Species Asteraceae Eukaryota UNPD*
NPO210 Uvaria calamistrata Species Annonaceae Eukaryota UNPD*
NPO29628 Rubi fructus NA NA NA TCMSP*
NPO28807 Laggera pterodonta Species Asteraceae Eukaryota TM-MC*
NPO9247.1 Bupleurum smithii var. parvifolium Varieties Apiaceae Eukaryota TCMID*
NPO13166 Nicotiana undulata Species Solanaceae Eukaryota UNPD*
NPO5339 Isophysis tasmanica Species Iridaceae Eukaryota UNPD*
NPO29588 Ganoderma Genus Ganodermataceae Eukaryota TCMSP*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TM-MC*
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota TCMID*
NPO16185 Astilbe odontophylla Species Saxifragaceae Eukaryota UNPD*
NPO11268 Pteris dispar Species Pteridaceae Eukaryota UNPD*
NPO29546 Eriobotryae folium NA NA NA TCMSP*
NPO11474 Ligusticum jeholense Species Apiaceae Eukaryota TM-MC*
NPO20610 Mosla dianthera Species Lamiaceae Eukaryota TCMID*
NPO6571 Ageratina viscosa Species Asteraceae Eukaryota UNPD*
NPO11488 Alstonia muelleriana Species Apocynaceae Eukaryota UNPD*
NPO17534 Uvaria chamae Species Annonaceae Eukaryota UNPD*
NPO29707 Benzoinum NA NA NA TCMSP*
NPO2154 Ligusticum tenuissimum Species Apiaceae Eukaryota TM-MC*
NPO21664 Mosla grosseserrata Species Lamiaceae Eukaryota TCMID*
NPO18691 Mycale cecilia Species Mycalidae Eukaryota UNPD*
NPO731 Panax schinseng Species Araliaceae Eukaryota UNPD*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TCMSP*
NPO29110 Litsea cubeba Species Lauraceae Eukaryota TM-MC*
NPO22178.1 Centranthus longiflorus ssp. longiflorus Subspecies Caprifoliaceae Eukaryota TCMID*
NPO10980 Petasites japonicus Species Asteraceae Eukaryota HerDing*
NPO1396 Cladogynos orientalis NA NA NA UNPD*
NPO29547 Broussonetiae fructus NA NA NA TCMSP*
NPO18932 Melia azedarach Species Meliaceae Eukaryota TM-MC*
NPO2722 Humulus japonicus Species Cannabaceae Eukaryota TCMID*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TCM_Taiwan*
NPO1049 Tethya amamensis Species Tethyidae Eukaryota UNPD*
NPO29623 Echinopsis radix Species Cactaceae Eukaryota TCMSP*
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota TM-MC*
NPO24390 Juniperus rigida Species Cupressaceae Eukaryota TCMID*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota HerDing*
NPO10540 Passiflora incarnata Species Passifloraceae Eukaryota UNPD*
NPO19991 Mantella aurantiaca Species Mantellidae Eukaryota UNPD*
NPO24731 Sesami nigrum semen NA NA NA TCMSP*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO10597 Fructus syzygii NA NA NA TCMID*
NPO15730 Citrus medica Species Rutaceae Eukaryota TCM_Taiwan*
NPO25140 Triadica sebifera Species Euphorbiaceae Eukaryota UNPD*
NPO643 Astragalus ernestii Species Fabaceae Eukaryota UNPD*
NPO3724 Amomum neoaurantiacum Species Zingiberaceae Eukaryota TCMSP*
NPO12182 Murraya exotica Species Rutaceae Eukaryota TM-MC*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMID*
NPO163 Daucus carota Species Apiaceae Eukaryota TCM_Taiwan*
NPO19654 Hydnocarpus venenata Species Achariaceae Eukaryota UNPD*
NPO21316.1 Barbarea vulgaris subsp. arcuata Subspecies Brassicaceae Eukaryota UNPD*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota TM-MC*
NPO11291 Styrax benzoin Species Styracaceae Eukaryota TCMID*
NPO163 Daucus carota Species Apiaceae Eukaryota HerDing*
NPO15275 Briareum asbestinum Species Briareidae Eukaryota UNPD*
NPO18805 Tripolium pannonicum Species Asteraceae Eukaryota UNPD*
NPO29630 Panacis quinquefolii radix NA NA NA TCMSP*
NPO24644 Hansenia forbesii Species Apiaceae Eukaryota TM-MC*
NPO8952 Craibiodendron yunnanese Species Ericaceae Eukaryota TCMID*
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota HerDing*
NPO11248 Tachigalia paniculata NA NA NA UNPD*
NPO11565 Lobelia salicifolia Species Campanulaceae Eukaryota UNPD*
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota TM-MC*
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota TM-MC*
NPO319 Citrus limon Species Rutaceae Eukaryota TCMID*
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota TCM_Taiwan*
NPO12001 Saccharomyces pastori Species Saccharomycetaceae Eukaryota UNPD*
NPO1706 Eragrostis curvula Species Poaceae Eukaryota UNPD*
NPO29010 Amomum compactum Species Zingiberaceae Eukaryota TM-MC*
NPO2953 Ostericum grosseserratum Species Apiaceae Eukaryota TM-MC*
NPO19335 Rhizoma zingiberis praeparata NA NA NA TCMID*
NPO163 Daucus carota Species Apiaceae Eukaryota TCMID*
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota HerDing*
NPO11197 Coelogyne corymbosa Species Orchidaceae Eukaryota UNPD*
NPO17043 Lycopodium casuarinoides Species Lycopodiaceae Eukaryota UNPD*
NPO12322 Amomum krervanh Species Zingiberaceae Eukaryota TM-MC*
NPO20712 Panax quinquefolius Species Araliaceae Eukaryota TM-MC*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TCMID*
NPO17691 Santalum album Species Santalaceae Eukaryota TCM_Taiwan*
NPO8950 Stilpnopappus pickelii NA NA NA UNPD*
NPO6741 Metasequoia glyptostroboides Species Cupressaceae Eukaryota UNPD*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO11169 Piper cubeba Species Piperaceae Eukaryota TM-MC*
NPO4368 Magnolia officinalis Species Magnoliaceae Eukaryota TCMID*
NPO1203 Solanum pseudoquina Species Solanaceae Eukaryota UNPD*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TCM_Taiwan*
NPO117 Acacia armata Species Fabaceae Eukaryota UNPD*
NPO12304 Ascocoryne sarcoides Species Helotiaceae Eukaryota UNPD*
NPO8132 Fritillaria meleagris Species Liliaceae Eukaryota UNPD*
NPO28928 Piper nigrum Species Piperaceae Eukaryota TM-MC*
NPO8367 Fructus schiandrae NA NA NA TCMID*
NPO12537 Plantago psyllium Species Plantaginaceae Eukaryota UNPD*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota HerDing*
NPO10629 Diospyros iturensis Species Ebenaceae Eukaryota UNPD*
NPO19635 Coreopsis nodosa Species Asteraceae Eukaryota UNPD*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO10980 Petasites japonicus Species Asteraceae Eukaryota TCMID*
NPO21493 Bunodosoma caissarum Species Actiniidae Eukaryota UNPD*
NPO20610 Mosla dianthera Species Lamiaceae Eukaryota HerDing*
NPO5166 Adonis sutchuenensis Species Ranunculaceae Eukaryota UNPD*
NPO5453.1 Euphorbia officinarum subsp. echinus Subspecies Euphorbiaceae Eukaryota UNPD*
NPO9526 Gaillardia amblyodon Species Asteraceae Eukaryota UNPD*
NPO17274 Rhizoma zingiberis recens preparata NA NA NA TCMID*
NPO2323 Plantago lundborgii Species Plantaginaceae Eukaryota UNPD*
NPO21664 Mosla grosseserrata Species Lamiaceae Eukaryota HerDing*
NPO10980 Petasites japonicus Species Asteraceae Eukaryota UNPD*
NPO15102 Senegalia tenuifolia Species Fabaceae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TCMID*
NPO12711 Ligularia altaica Species Asteraceae Eukaryota PMID[20073490]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TCM_Taiwan*
NPO18199 Thermotoga maritima Species Thermotogaceae Bacteria UNPD*
NPO19264 Macleaya cordata Species Papaveraceae Eukaryota UNPD*
NPO16501 Capsicum annuum Species Solanaceae Eukaryota TM-MC*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TCMID*
NPO12942 Amphimedon terpenensis Species Niphatidae Eukaryota UNPD*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota HerDing*
NPO6622 Artemisia klotzchiana Species Asteraceae Eukaryota UNPD*
NPO5189 Glycine tomentella Species Fabaceae Eukaryota UNPD*
NPO7317 Citrus aurantium Species Rutaceae Eukaryota TM-MC*
NPO11638 Cinnanmomi cortex NA NA NA TCMSP*
NPO15730 Citrus medica Species Rutaceae Eukaryota TM-MC*
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota TCMID*
NPO21854 Pterocladiella tenuis Species Gelidiaceae Eukaryota UNPD*
NPO24390 Juniperus rigida Species Cupressaceae Eukaryota TCM_Taiwan*
NPO7793 Matricaria matricarioides Species Asteraceae Eukaryota UNPD*
NPO29581 Dalbergiae odoriferae lignum NA NA NA TCMSP*
NPO22033 Cnidium officinale Species Apiaceae Eukaryota TM-MC*
NPO10494 Alpinia katsumadai Species Staphylinidae Eukaryota TCMID*
NPO8433 Bongardia chrysogonum Species Berberidaceae Eukaryota UNPD*
NPO24390 Juniperus rigida Species Cupressaceae Eukaryota HerDing*
NPO13682 Lonchocarpus laxiflorus Species Fabaceae Eukaryota UNPD*
NPO10515 Angelicae sinensis radix NA NA NA TCMSP*
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota TM-MC*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota TM-MC*
NPO22420 Lignum dalbergiae odoriferae rosewood NA NA NA TCMID*
NPO11642 Dacrydium cupressinum Species Podocarpaceae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCM_Taiwan*
NPO22666 Haematococcus lacustris Species Haematococcaceae Eukaryota UNPD*
NPO29564 Farfarae flos NA NA NA TCMSP*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TM-MC*
NPO12684 Trigonella grandiflora Species Fabaceae Eukaryota UNPD*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TCMID*
NPO3445 Dumoria heckeli NA NA NA UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota HerDing*
NPO13568 Hypoxylon rubiginosum Species Xylariaceae Eukaryota UNPD*
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota TM-MC*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TM-MC*
NPO18465 Cryptocarya triplinervis Species Lauraceae Eukaryota UNPD*
NPO6401 Ligularia stenocephala Species Asteraceae Eukaryota UNPD*
NPO29812 Panax quinquefolium Species Araliaceae Eukaryota TCM_Taiwan*
NPO14354 Artemisia cina Species Asteraceae Eukaryota UNPD*
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota TM-MC*
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota TM-MC*
NPO9321 Lophozia attenuata Species Scapaniaceae Eukaryota UNPD*
NPO29812 Panax quinquefolium Species Araliaceae Eukaryota HerDing*
NPO10781 Erythrina bidwillii Species Fabaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens EC50 > 20 ug/ml 20073490
NPT83 Cell Line MCF7 Homo sapiens EC50 > 20 ug/ml 20073490
NPT91 Cell Line KB Homo sapiens EC50 > 20 ug/ml 20073490
NPT2 Others Unspecified EC50 > 20 ug/ml 20073490

  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 NPC297643 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 NPC139717
1.0 High Similarity NPC229262
0.9714 High Similarity NPC190810
0.9714 High Similarity NPC34764
0.9714 High Similarity NPC76145
0.8571 High Similarity NPC213749
0.8537 High Similarity NPC202189
0.8537 High Similarity NPC248411
0.85 High Similarity NPC177470
0.8462 Intermediate Similarity NPC183670
0.8421 Intermediate Similarity NPC239039
0.8378 Intermediate Similarity NPC92224
0.8333 Intermediate Similarity NPC296337
0.8286 Intermediate Similarity NPC3649
0.825 Intermediate Similarity NPC144023
0.7949 Intermediate Similarity NPC45727
0.7949 Intermediate Similarity NPC48638
0.7907 Intermediate Similarity NPC241784
0.7907 Intermediate Similarity NPC13991
0.7907 Intermediate Similarity NPC114239
0.7907 Intermediate Similarity NPC86683
0.7895 Intermediate Similarity NPC282119
0.7778 Intermediate Similarity NPC206088
0.7778 Intermediate Similarity NPC17518
0.7619 Intermediate Similarity NPC473912
0.7556 Intermediate Similarity NPC124851
0.75 Intermediate Similarity NPC266298
0.7447 Intermediate Similarity NPC244038
0.7442 Intermediate Similarity NPC86538
0.7442 Intermediate Similarity NPC109813
0.7442 Intermediate Similarity NPC192529
0.7442 Intermediate Similarity NPC60556
0.7391 Intermediate Similarity NPC22765
0.7381 Intermediate Similarity NPC120926
0.7381 Intermediate Similarity NPC218918
0.7297 Intermediate Similarity NPC471327
0.7297 Intermediate Similarity NPC100879
0.7292 Intermediate Similarity NPC179169
0.7292 Intermediate Similarity NPC306195
0.7292 Intermediate Similarity NPC181255
0.7292 Intermediate Similarity NPC473728
0.7292 Intermediate Similarity NPC157781
0.7292 Intermediate Similarity NPC35519
0.7234 Intermediate Similarity NPC200129
0.7209 Intermediate Similarity NPC105246
0.7209 Intermediate Similarity NPC190232
0.7174 Intermediate Similarity NPC91962
0.7111 Intermediate Similarity NPC49088
0.7083 Intermediate Similarity NPC214584
0.7083 Intermediate Similarity NPC26906
0.7021 Intermediate Similarity NPC17810
0.6957 Remote Similarity NPC323445
0.6939 Remote Similarity NPC71506
0.6939 Remote Similarity NPC177112
0.6875 Remote Similarity NPC163984
0.6875 Remote Similarity NPC58970
0.6875 Remote Similarity NPC176819
0.6875 Remote Similarity NPC32351
0.6863 Remote Similarity NPC469770
0.6842 Remote Similarity NPC151719
0.6842 Remote Similarity NPC66577
0.6818 Remote Similarity NPC193180
0.68 Remote Similarity NPC476679
0.68 Remote Similarity NPC268564
0.6757 Remote Similarity NPC138113
0.6757 Remote Similarity NPC123965
0.6757 Remote Similarity NPC115959
0.6744 Remote Similarity NPC78551
0.6744 Remote Similarity NPC227632
0.6744 Remote Similarity NPC62086
0.6667 Remote Similarity NPC5626
0.6604 Remote Similarity NPC475696
0.6604 Remote Similarity NPC474415
0.6604 Remote Similarity NPC470370
0.6604 Remote Similarity NPC474528
0.6604 Remote Similarity NPC470369
0.66 Remote Similarity NPC294358
0.66 Remote Similarity NPC40417
0.6591 Remote Similarity NPC103290
0.6591 Remote Similarity NPC188596
0.6579 Remote Similarity NPC60288
0.6538 Remote Similarity NPC232247
0.6538 Remote Similarity NPC123194
0.6538 Remote Similarity NPC148163
0.6538 Remote Similarity NPC130209
0.6538 Remote Similarity NPC251666
0.6538 Remote Similarity NPC470893
0.6538 Remote Similarity NPC148216
0.6531 Remote Similarity NPC26960
0.6531 Remote Similarity NPC182102
0.6481 Remote Similarity NPC469769
0.6471 Remote Similarity NPC14002
0.6471 Remote Similarity NPC23117
0.6458 Remote Similarity NPC178644
0.6415 Remote Similarity NPC141699
0.6415 Remote Similarity NPC473733
0.64 Remote Similarity NPC27438
0.6389 Remote Similarity NPC287191
0.6389 Remote Similarity NPC31891
0.6389 Remote Similarity NPC266144
0.6389 Remote Similarity NPC266539
0.6383 Remote Similarity NPC24824
0.6383 Remote Similarity NPC165651
0.6383 Remote Similarity NPC210560
0.6364 Remote Similarity NPC474420
0.6364 Remote Similarity NPC246165
0.6364 Remote Similarity NPC472304
0.6364 Remote Similarity NPC474454
0.6364 Remote Similarity NPC474455
0.6364 Remote Similarity NPC475716
0.6364 Remote Similarity NPC276764
0.6346 Remote Similarity NPC100809
0.6346 Remote Similarity NPC209431
0.6341 Remote Similarity NPC182392
0.6327 Remote Similarity NPC106990
0.6316 Remote Similarity NPC34671
0.6296 Remote Similarity NPC474457
0.6296 Remote Similarity NPC165808
0.625 Remote Similarity NPC8610
0.625 Remote Similarity NPC22098
0.625 Remote Similarity NPC276009
0.625 Remote Similarity NPC159420
0.625 Remote Similarity NPC262558
0.625 Remote Similarity NPC195246
0.6226 Remote Similarity NPC298299
0.6222 Remote Similarity NPC473614
0.6216 Remote Similarity NPC10183
0.62 Remote Similarity NPC329773
0.6182 Remote Similarity NPC56905
0.6182 Remote Similarity NPC27610
0.6154 Remote Similarity NPC295777
0.6154 Remote Similarity NPC69898
0.614 Remote Similarity NPC469728
0.614 Remote Similarity NPC194208
0.614 Remote Similarity NPC282694
0.614 Remote Similarity NPC79576
0.6122 Remote Similarity NPC100445
0.6111 Remote Similarity NPC88325
0.6111 Remote Similarity NPC249645
0.6111 Remote Similarity NPC55412
0.6111 Remote Similarity NPC38513
0.6098 Remote Similarity NPC305759
0.6098 Remote Similarity NPC62779
0.6098 Remote Similarity NPC173592
0.6098 Remote Similarity NPC99088
0.6078 Remote Similarity NPC64866
0.6053 Remote Similarity NPC262789
0.6053 Remote Similarity NPC179103
0.6053 Remote Similarity NPC64176
0.6053 Remote Similarity NPC138325
0.6053 Remote Similarity NPC288991
0.6053 Remote Similarity NPC76765
0.6042 Remote Similarity NPC166788
0.6038 Remote Similarity NPC202850
0.6038 Remote Similarity NPC63396
0.6034 Remote Similarity NPC145715
0.6034 Remote Similarity NPC165695
0.6034 Remote Similarity NPC174956
0.6 Remote Similarity NPC22019
0.6 Remote Similarity NPC281986
0.6 Remote Similarity NPC208749
0.6 Remote Similarity NPC321568
0.6 Remote Similarity NPC115385
0.6 Remote Similarity NPC11130
0.6 Remote Similarity NPC234597
0.5965 Remote Similarity NPC66020
0.5965 Remote Similarity NPC317778
0.5965 Remote Similarity NPC135648
0.5965 Remote Similarity NPC127582
0.5965 Remote Similarity NPC19241
0.5965 Remote Similarity NPC240506
0.5965 Remote Similarity NPC176621
0.5965 Remote Similarity NPC311809
0.5962 Remote Similarity NPC68014
0.5962 Remote Similarity NPC208638
0.5957 Remote Similarity NPC106819
0.5957 Remote Similarity NPC269862
0.5957 Remote Similarity NPC51762
0.5957 Remote Similarity NPC141777
0.5957 Remote Similarity NPC23145
0.5957 Remote Similarity NPC474118
0.5957 Remote Similarity NPC227670
0.5957 Remote Similarity NPC90803
0.5957 Remote Similarity NPC90506
0.5957 Remote Similarity NPC166362
0.5932 Remote Similarity NPC475124
0.5932 Remote Similarity NPC285371
0.5932 Remote Similarity NPC6697
0.5932 Remote Similarity NPC473959
0.5932 Remote Similarity NPC469662
0.5926 Remote Similarity NPC223604
0.5926 Remote Similarity NPC275472
0.5918 Remote Similarity NPC236355
0.5918 Remote Similarity NPC4079
0.5918 Remote Similarity NPC14917
0.5893 Remote Similarity NPC60772
0.5893 Remote Similarity NPC170799
0.5893 Remote Similarity NPC311852
0.5893 Remote Similarity NPC308108
0.5882 Remote Similarity NPC289388

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC297643 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
0.9714 High Similarity NPD319 Phase 1
0.7209 Intermediate Similarity NPD1799 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD8262 Approved
0.6538 Remote Similarity NPD342 Phase 1
0.6111 Remote Similarity NPD4219 Approved
0.5893 Remote Similarity NPD287 Approved
0.5862 Remote Similarity NPD368 Approved

Structure

External Identifiers

PubChem CID   10104370
ChEMBL   CHEMBL1077088
ZINC  

Physicochemical Properties

Molecular Weight:  204.19
ALogP:  3.3746
MLogP:  3.11
XLogP:  5.551
# Rotatable Bonds:  7
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  15

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs