Natural Product: NPC33489

Natural Product ID:  NPC33489
Common Name:   2-Nonenal
IUPAC Name:   (E)-non-2-enal
Synonyms:   (E)-2-Nonenal; 2-Nonenal
Molecular Formula:   C9H16O
Standard InCHIKey:  BSAIUMLZVGUGKX-BQYQJAHWSA-N
Standard InCHI:  InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+
Canonical SMILES:  CCCCCC/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
NPO10452 Odontites rubra Species Orobanchaceae Eukaryota UNPD*
NPO15277 Pericarpium trichosanthis NA NA NA HerDing*
NPO29685 Eucommiae folium NA NA NA TCMSP*
NPO19054 Semen trichosanthis NA NA NA TCMID*
NPO14604 Dipteronia dyeriana Species Aceraceae Eukaryota UNPD*
NPO26052 Swertia delavayi Species Gentianaceae Eukaryota UNPD*
NPO18176 Ephedra sinica Species Ephedraceae Eukaryota HerDing*
NPO4750 Meliae azedarach fructus NA NA NA TCMSP*
NPO10608 Exodermis poria NA NA NA TCMID*
NPO13582 Leucopaxillus giganteus Species Tricholomataceae Eukaryota UNPD*
NPO19054 Semen trichosanthis NA NA NA HerDing*
NPO2997 Aloe africana Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO8108.1 Citrullus lanatus subsp. vulgaris Subspecies Cucurbitaceae Eukaryota TCMID*
NPO26561 Micromeria pineolens Species Lamiaceae Eukaryota UNPD*
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota HerDing*
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota TCMID*
NPO2607 Ophiorrhiza blumeana Species Rubiaceae Eukaryota UNPD*
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota TCM_Taiwan*
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota TM-MC*
NPO1493 Hericium erinaceus Species Hericiaceae Eukaryota TCMID*
NPO25769 Heterotheca inuloides Species Asteraceae Eukaryota UNPD*
NPO15434 Rhodomicrobium vannielii Species Hyphomicrobiaceae Bacteria UNPD*
NPO2837 Aloe spicata Species Asphodelaceae Eukaryota TM-MC*
NPO26607 Colobocentrotus atratus Species Echinidae Eukaryota UNPD*
NPO22053 Vepris pilosa Species Rutaceae Eukaryota UNPD*
NPO13952 Streptomyces lavendulae Species Streptomycetaceae Bacteria UNPD*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO23768 Camellia saluenensis Species Theaceae Eukaryota TCMID*
NPO13740 Aconitum kamtschaticum Species Ranunculaceae Eukaryota UNPD*
NPO2898 Quercus sessiliflora Species Fagaceae Eukaryota UNPD*
NPO26184 Diphasia angolensis Species Rutaceae Eukaryota UNPD*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO15277 Pericarpium trichosanthis NA NA NA TCMID*
NPO12470 Brachyspira hyodysenteriae Species Brachyspiraceae Bacteria UNPD*
NPO16109 Actinidia kolomikta Species Actinidiaceae Eukaryota UNPD*
NPO16311 Rusavskia elegans Species Teloschistaceae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO14442 Gouania microcarpa Species Gobiesocidae Eukaryota UNPD*
NPO15884 Dodonaea polyandra Species Sapindaceae Eukaryota UNPD*
NPO8671 Physalis solanaceus Species Solanaceae Eukaryota UNPD*
NPO26927 Salacia madagascariensis Species Celastraceae Eukaryota UNPD*
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TM-MC*
NPO26806 Nidula candida Species Nidulariaceae Eukaryota UNPD*
NPO16541 Veratrum stenophyllum Species Melanthiaceae Eukaryota UNPD*
NPO11962 Garcinia macrophylla Species Clusiaceae Eukaryota UNPD*
NPO26287 Spodoptera eridania Species Noctuidae Eukaryota UNPD*
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota TM-MC*
NPO14111 Maytenus serrata Species Celastraceae Eukaryota UNPD*
NPO22056.1 Streptomyces fervens Subspecies Streptomycetaceae Bacteria UNPD*
NPO14747 Usnea florida Species Parmeliaceae Eukaryota UNPD*
NPO25792 Delphinium andersoni Species Ranunculaceae Eukaryota UNPD*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TM-MC*
NPO25896 Bragantia wallichii NA NA NA UNPD*
NPO6978 Boronella koniambiensis Species Rutaceae Eukaryota UNPD*
NPO15570 Plectranthus mollis Species Lamiaceae Eukaryota UNPD*
NPO16501 Capsicum annuum Species Solanaceae Eukaryota TM-MC*
NPO5510 Lepidium draba Species Brassicaceae Eukaryota UNPD*
NPO25739 Erysimum odoratum Species Brassicaceae Eukaryota UNPD*
NPO29594 Herba taxilli NA NA NA TCMSP*
NPO9546 Cinamomum cassia NA NA NA TM-MC*
NPO26349 Frullania tamarisci Species Frullaniaceae Eukaryota UNPD*
NPO26319 Solanum acaule Species Solanaceae Eukaryota UNPD*
NPO26003 Adenophprae ae radix NA NA NA TCMSP*
NPO8255 Cinnamomum aromaticum Species Lauraceae Eukaryota TM-MC*
NPO3697 Ongokea klaineana Species Aptandraceae Eukaryota UNPD*
NPO26624 Ilex amara Species Aquifoliaceae Eukaryota UNPD*
NPO29639 Aucklandiae radix NA NA NA TCMSP*
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO1723 Sideritis syriaca Species Lamiaceae Eukaryota UNPD*
NPO9386 Ectropis bicolor Species Geometridae Eukaryota UNPD*
NPO26451 Ophiocoma scolopendrina Species Ophiocomidae Eukaryota UNPD*
NPO23624 Thalluslaminariae NA NA NA TCMSP*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO7792 Coreopsis grandiflora Species Asteraceae Eukaryota UNPD*
NPO4083 Brevibacillus laterosporus Species Paenibacillaceae Bacteria UNPD*
NPO12457 Siphocampylus verticillatus Species Campanulaceae Eukaryota UNPD*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO14650 Lobelia chinensis Species Campanulaceae Eukaryota TM-MC*
NPO22505 Bombax ceiba Species Malvaceae Eukaryota UNPD*
NPO26211 Knightia excelsa Species Proteaceae Eukaryota UNPD*
NPO26256 Zanthoxylum chiriquinum Species Rutaceae Eukaryota UNPD*
NPO8455 Magnolia officinalis rehd et wils Species Magnoliaceae Eukaryota TCMSP*
NPO18932 Melia azedarach Species Meliaceae Eukaryota TM-MC*
NPO26900 Vallota purpurea NA NA NA UNPD*
NPO26507 Galenia africana Species Aizoaceae Eukaryota UNPD*
NPO25972 Eupolyphaga sinensis Species Corydiidae Eukaryota UNPD*
NPO17506 Semen pharbitidis NA NA NA TCMSP*
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota TM-MC*
NPO14914 Esox saurus Species Esocidae Eukaryota UNPD*
NPO26654 Penicillium citreonigrum Species Aspergillaceae Eukaryota UNPD*
NPO13427 Erinaceus europaeus Species Erinaceidae Eukaryota UNPD*
NPO4054 Lysimachiae foenigraeci herba NA NA NA TCMSP*
NPO24644 Hansenia forbesii Species Apiaceae Eukaryota TM-MC*
NPO25923 Vismia jefensis Species Hypericaceae Eukaryota UNPD*
NPO25949 Streptomyces griseovariabilis Species Streptomycetaceae Bacteria UNPD*
NPO25870 Vaccinium vitis-idaea Species Ericaceae Eukaryota UNPD*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota TM-MC*
NPO11376 Schistostephium rotundifolium Species Asteraceae Eukaryota UNPD*
NPO26834 Eutypella scoparia Species Diatrypaceae Eukaryota UNPD*
NPO15312 Coelogorgia palmosa Species Coelogorgiidae Eukaryota UNPD*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO15479 Oldenlandia diffusa Species Rubiaceae Eukaryota TM-MC*
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota UNPD*
NPO12951 Talaromyces coalescens Species Trichocomaceae Eukaryota UNPD*
NPO13273 Maytenus loeseneri Species Celastraceae Eukaryota UNPD*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO2953 Ostericum grosseserratum Species Apiaceae Eukaryota TM-MC*
NPO7077 Canarium strictum Species Burseraceae Eukaryota UNPD*
NPO15159 Podocarpus salignus Species Podocarpaceae Eukaryota UNPD*
NPO26950 Maba buxifolia Species Ebenaceae Eukaryota UNPD*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO29644 Xanthii fructus NA NA NA TCMSP*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TM-MC*
NPO16625 Phalaenopsis aphrodite Species Orchidaceae Eukaryota UNPD*
NPO26266 Isodon japonicus Species Lamiaceae Eukaryota UNPD*
NPO26023 Angelica tarokoensis Species Apiaceae Eukaryota UNPD*
NPO20712 Panax quinquefolius Species Araliaceae Eukaryota TM-MC*
NPO5482 Gymnanthemum amygdalinum Species Asteraceae Eukaryota UNPD*
NPO26406 Saussurea carthamoides Species Asteraceae Eukaryota UNPD*
NPO651 Aconitum vilmorinianum Species Ranunculaceae Eukaryota UNPD*
NPO20930 Patrinia scabiosifolia Species Caprifoliaceae Eukaryota TM-MC*
NPO25995 Laurencia distichophylla Species Rhodomelaceae Eukaryota UNPD*
NPO26134 Epimedium davidii Species Berberidaceae Eukaryota UNPD*
NPO26699 Leonurus glaucescens Species Lamiaceae Eukaryota UNPD*
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota TM-MC*
NPO7447 Nemalion vermiculare Species Liagoraceae Eukaryota UNPD*
NPO15178 Psychotria bahiensis Species Rubiaceae Eukaryota UNPD*
NPO12547 Viburnum chingii Species Adoxaceae Eukaryota UNPD*
NPO16039 Scutellaria barbata Species Lamiaceae Eukaryota TM-MC*
NPO10899 Ophioparma ventosa Species Ophioparmaceae Eukaryota UNPD*
NPO26161 Globba malaccensis Species Zingiberaceae Eukaryota UNPD*
NPO16307 Murraya kwangsiensis Species Rutaceae Eukaryota UNPD*
NPO2943 Sraitia grosvenorii NA NA NA TM-MC*
NPO7718 Peucedanum palustre Species Apiaceae Eukaryota UNPD*
NPO15679 Amyris marshii Species Rutaceae Eukaryota UNPD*
NPO11644 Prosopis ruscifolia Species Fabaceae Eukaryota UNPD*
NPO18176 Ephedra sinica Species Ephedraceae Eukaryota TCMID*
NPO5750 Monomorium floricola Species Formicidae Eukaryota UNPD*
NPO26584 Gnidia lamprantha Species Thymelaeaceae Eukaryota UNPD*
NPO26374 Alangium premnifolium Species Cornaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 50 ug/ml 10.1021/np50124a013
NPT2539 Organism Corynebacterium ammoniagenes Corynebacterium ammoniagenes MIC = 100 ug/ml 10.1021/np50124a013
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 50 ug/ml 10.1021/np50124a013
NPT878 Organism Streptococcus mutans Streptococcus mutans MIC = 100 ug/ml 10.1021/np50124a013
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MIC = 25 ug/ml 10.1021/np50124a013
NPT19 Organism Escherichia coli Escherichia coli MIC = 200 ug/ml 10.1021/np50124a013
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 800 ug/ml 10.1021/np50124a013
NPT720 Organism Enterobacter aerogenes Enterobacter aerogenes MIC = 200 ug/ml 10.1021/np50124a013
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC = 25 ug/ml 10.1021/np50124a013
NPT767 Organism Pichia jadinii Cyberlindnera jadinii MIC = 25 ug/ml 10.1021/np50124a013
NPT766 Organism Proteus vulgaris Proteus vulgaris MIC = 25 ug/ml 10.1021/np50124a013
NPT2605 Organism Malassezia Malassezia MIC = 25 ug/ml 10.1021/np50124a013
NPT2242 Organism Penicillium chrysogenum Penicillium chrysogenum MIC = 50 ug/ml 10.1021/np50124a013
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes MIC = 12.5 ug/ml 10.1021/np50124a013
NPT1418 Individual Protein Anandamide amidohydrolase Homo sapiens Inhibition = -11.95 % 19850474
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 390 nM 21123074
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 870 nM 21123074
NPT2 Others Unspecified Potency 61644.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43641.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54941 nM PubChem BioAssay data set

  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 NPC33489 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
0.9744 High Similarity NPC298710
0.9744 High Similarity NPC287397
0.9744 High Similarity NPC67920
0.9474 High Similarity NPC33761
0.925 High Similarity NPC208936
0.8947 High Similarity NPC279300
0.875 High Similarity NPC18205
0.875 High Similarity NPC323278
0.875 High Similarity NPC12319
0.8684 High Similarity NPC75204
0.85 High Similarity NPC217923
0.8421 Intermediate Similarity NPC72258
0.8222 Intermediate Similarity NPC324812
0.8 Intermediate Similarity NPC8416
0.7857 Intermediate Similarity NPC101147
0.7778 Intermediate Similarity NPC239754
0.7708 Intermediate Similarity NPC234829
0.766 Intermediate Similarity NPC477789
0.7609 Intermediate Similarity NPC110234
0.7609 Intermediate Similarity NPC44363
0.7609 Intermediate Similarity NPC163751
0.7561 Intermediate Similarity NPC254764
0.7556 Intermediate Similarity NPC267514
0.7556 Intermediate Similarity NPC145755
0.7451 Intermediate Similarity NPC317899
0.7273 Intermediate Similarity NPC270170
0.7273 Intermediate Similarity NPC7754
0.725 Intermediate Similarity NPC146507
0.717 Intermediate Similarity NPC22019
0.717 Intermediate Similarity NPC281986
0.717 Intermediate Similarity NPC208749
0.717 Intermediate Similarity NPC321568
0.7115 Intermediate Similarity NPC188789
0.7105 Intermediate Similarity NPC8466
0.7045 Intermediate Similarity NPC48930
0.7021 Intermediate Similarity NPC474202
0.7021 Intermediate Similarity NPC474362
0.7 Intermediate Similarity NPC144407
0.6977 Remote Similarity NPC92863
0.6977 Remote Similarity NPC155880
0.6957 Remote Similarity NPC216921
0.6957 Remote Similarity NPC301972
0.6957 Remote Similarity NPC106819
0.6923 Remote Similarity NPC100809
0.6923 Remote Similarity NPC209431
0.6875 Remote Similarity NPC22098
0.6875 Remote Similarity NPC195246
0.6875 Remote Similarity NPC276009
0.6875 Remote Similarity NPC100380
0.6829 Remote Similarity NPC310810
0.6818 Remote Similarity NPC15934
0.68 Remote Similarity NPC20934
0.68 Remote Similarity NPC288381
0.675 Remote Similarity NPC273054
0.6735 Remote Similarity NPC471958
0.6667 Remote Similarity NPC191337
0.6667 Remote Similarity NPC30433
0.6667 Remote Similarity NPC113082
0.66 Remote Similarity NPC207815
0.66 Remote Similarity NPC145311
0.6596 Remote Similarity NPC252978
0.6591 Remote Similarity NPC40434
0.6591 Remote Similarity NPC34873
0.6585 Remote Similarity NPC109034
0.6531 Remote Similarity NPC8610
0.6531 Remote Similarity NPC262558
0.6481 Remote Similarity NPC471239
0.6471 Remote Similarity NPC474391
0.6471 Remote Similarity NPC236338
0.6471 Remote Similarity NPC15325
0.6458 Remote Similarity NPC25771
0.6458 Remote Similarity NPC114841
0.6458 Remote Similarity NPC108195
0.6458 Remote Similarity NPC477686
0.6429 Remote Similarity NPC12889
0.6415 Remote Similarity NPC14002
0.6383 Remote Similarity NPC149668
0.6383 Remote Similarity NPC304151
0.6364 Remote Similarity NPC24833
0.6364 Remote Similarity NPC185839
0.6364 Remote Similarity NPC472808
0.6364 Remote Similarity NPC324224
0.6364 Remote Similarity NPC220061
0.6346 Remote Similarity NPC477458
0.6341 Remote Similarity NPC151719
0.6327 Remote Similarity NPC269074
0.6327 Remote Similarity NPC76976
0.6327 Remote Similarity NPC276825
0.6327 Remote Similarity NPC270706
0.6316 Remote Similarity NPC82465
0.6316 Remote Similarity NPC159650
0.6316 Remote Similarity NPC22897
0.6304 Remote Similarity NPC111474
0.6304 Remote Similarity NPC329762
0.6304 Remote Similarity NPC123357
0.6304 Remote Similarity NPC27444
0.6304 Remote Similarity NPC103236
0.6296 Remote Similarity NPC5626
0.6296 Remote Similarity NPC300121
0.6296 Remote Similarity NPC189677
0.6296 Remote Similarity NPC478120
0.6279 Remote Similarity NPC269641
0.625 Remote Similarity NPC292463
0.625 Remote Similarity NPC34671
0.6226 Remote Similarity NPC106531
0.6222 Remote Similarity NPC180840
0.6222 Remote Similarity NPC226511
0.6207 Remote Similarity NPC229252
0.6207 Remote Similarity NPC143857
0.62 Remote Similarity NPC55063
0.62 Remote Similarity NPC471752
0.62 Remote Similarity NPC180575
0.62 Remote Similarity NPC19834
0.62 Remote Similarity NPC128280
0.619 Remote Similarity NPC266979
0.617 Remote Similarity NPC469713
0.617 Remote Similarity NPC221250
0.6167 Remote Similarity NPC169275
0.6167 Remote Similarity NPC52449
0.6154 Remote Similarity NPC225974
0.6154 Remote Similarity NPC118788
0.6154 Remote Similarity NPC228776
0.6154 Remote Similarity NPC15789
0.6154 Remote Similarity NPC58970
0.6154 Remote Similarity NPC163984
0.6154 Remote Similarity NPC32351
0.6154 Remote Similarity NPC176819
0.614 Remote Similarity NPC21946
0.6136 Remote Similarity NPC38497
0.6136 Remote Similarity NPC213767
0.6122 Remote Similarity NPC6963
0.6122 Remote Similarity NPC101616
0.6122 Remote Similarity NPC471753
0.6122 Remote Similarity NPC12907
0.6122 Remote Similarity NPC304079
0.6111 Remote Similarity NPC23117
0.6111 Remote Similarity NPC69898
0.6111 Remote Similarity NPC61177
0.6111 Remote Similarity NPC284224
0.6111 Remote Similarity NPC37644
0.6111 Remote Similarity NPC296311
0.6111 Remote Similarity NPC295777
0.6102 Remote Similarity NPC228574
0.6102 Remote Similarity NPC294304
0.6087 Remote Similarity NPC171978
0.6087 Remote Similarity NPC182840
0.6087 Remote Similarity NPC29091
0.6087 Remote Similarity NPC277382
0.6087 Remote Similarity NPC103213
0.6087 Remote Similarity NPC255042
0.6071 Remote Similarity NPC477790
0.6071 Remote Similarity NPC325977
0.6071 Remote Similarity NPC245002
0.6066 Remote Similarity NPC183422
0.6053 Remote Similarity NPC235797
0.6053 Remote Similarity NPC88325
0.6042 Remote Similarity NPC57923
0.6042 Remote Similarity NPC187922
0.6042 Remote Similarity NPC206906
0.6 Remote Similarity NPC47946
0.6 Remote Similarity NPC26600
0.6 Remote Similarity NPC44343
0.6 Remote Similarity NPC179087
0.6 Remote Similarity NPC250539
0.6 Remote Similarity NPC322461
0.6 Remote Similarity NPC95581
0.6 Remote Similarity NPC210303
0.6 Remote Similarity NPC216416
0.6 Remote Similarity NPC269615
0.6 Remote Similarity NPC166788
0.6 Remote Similarity NPC137538
0.6 Remote Similarity NPC138325
0.5965 Remote Similarity NPC71755
0.5965 Remote Similarity NPC294938
0.5965 Remote Similarity NPC129150
0.5962 Remote Similarity NPC234597
0.5962 Remote Similarity NPC302310
0.5962 Remote Similarity NPC31194
0.5962 Remote Similarity NPC163345
0.5962 Remote Similarity NPC248884
0.5962 Remote Similarity NPC85079
0.5962 Remote Similarity NPC153538
0.5962 Remote Similarity NPC98284
0.5957 Remote Similarity NPC8270
0.5952 Remote Similarity NPC100879
0.5952 Remote Similarity NPC471327
0.5952 Remote Similarity NPC3649
0.5932 Remote Similarity NPC26223
0.5926 Remote Similarity NPC471751
0.5909 Remote Similarity NPC58957
0.5909 Remote Similarity NPC182392
0.5897 Remote Similarity NPC31891
0.5897 Remote Similarity NPC287191
0.5897 Remote Similarity NPC266539
0.5897 Remote Similarity NPC266144
0.5893 Remote Similarity NPC28779
0.5893 Remote Similarity NPC223677
0.5893 Remote Similarity NPC52264
0.5893 Remote Similarity NPC128061
0.5893 Remote Similarity NPC478117

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC33489 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
0.6122 Remote Similarity NPD6097 Approved
0.6122 Remote Similarity NPD6096 Approved
0.6087 Remote Similarity NPD5783 Phase 3
0.6078 Remote Similarity NPD5343 Approved
0.6 Remote Similarity NPD3174 Discontinued
0.6 Remote Similarity NPD39 Approved
0.5962 Remote Similarity NPD4220 Pre-registration
0.5741 Remote Similarity NPD29 Approved
0.5741 Remote Similarity NPD28 Approved
0.5714 Remote Similarity NPD9297 Discontinued
0.5714 Remote Similarity NPD9091 Suspended
0.5686 Remote Similarity NPD4222 Approved
0.566 Remote Similarity NPD3173 Approved
0.56 Remote Similarity NPD5326 Phase 3

Structure

External Identifiers

PubChem CID   5283335
ChEMBL   CHEMBL450072
ZINC  

Physicochemical Properties

Molecular Weight:  140.12
ALogP:  -0.6764
MLogP:  2.34
XLogP:  3.557
# Rotatable Bonds:  7
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  10

Download Data

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