Natural Product: NPC88278

Natural Product ID:  NPC88278
Common Name:   Inositol
IUPAC Name:  
Synonyms:   Cyclohexanehexol; Inositol; Meso-Inositol
Molecular Formula:   C6H12O6
Standard InCHIKey:  CDAISMWEOUEBRE-GPIVLXJGSA-N
Standard InCHI:  InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
Canonical SMILES:  O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)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
NPO29353 Benzoin praecox NA NA NA UNPD*
NPO7312 Aplidium multiplicatum Species Polyclinidae Eukaryota UNPD*
NPO13848 Amomum daniellii Species Zingiberaceae Eukaryota UNPD*
NPO28334 Pyrola decorata Species Ericaceae Eukaryota UNPD*
NPO19220 Laurencia nidifica Species Rhodomelaceae Eukaryota UNPD*
NPO23759 Litsea zeylanica Species Lauraceae Eukaryota UNPD*
NPO18694 Crotalaria crassipes Species Fabaceae Eukaryota UNPD*
NPO15592 Swertia punctata Species Gentianaceae Eukaryota UNPD*
NPO28131 Polygala amara Species Polygalaceae Eukaryota UNPD*
NPO12487 Juniperus horizontalis Species Cupressaceae Eukaryota UNPD*
NPO25704 Tetraneuris acaulis Species Asteraceae Eukaryota UNPD*
NPO19412 Capsella bursa Species Donacidae Eukaryota UNPD*
NPO28509 Achillea clypeolata Species Asteraceae Eukaryota UNPD*
NPO29239 Anopterus glandulosus Species Escalloniaceae Eukaryota UNPD*
NPO11430 Inula grantioides Species Asteraceae Eukaryota UNPD*
NPO10946 Scedosporium boydii Species Microascaceae Eukaryota UNPD*
NPO22624 Clematis tangutica Species Ranunculaceae Eukaryota UNPD*
NPO3823 Helichrysum stirlingii Species Asteraceae Eukaryota UNPD*
NPO2922 Botryosphaeria berengeriana Species Botryosphaeriaceae Eukaryota UNPD*
NPO22561 Dickeya chrysanthemi Species Pectobacteriaceae Bacteria UNPD*
NPO29151 Jaborosa odonelliana Species Solanaceae Eukaryota UNPD*
NPO9498 Papaver somniferum Species Papaveraceae Eukaryota UNPD*
NPO27943 Cardamine pinnata Species Brassicaceae Eukaryota UNPD*
NPO18504 Acacia fasciculifera Species Fabaceae Eukaryota UNPD*
NPO19064 Forsythia giraldiana Species Oleaceae Eukaryota UNPD*
NPO28691 Streptomyces odorifer Species Streptomycetaceae Bacteria UNPD*
NPO28704 Agaricus hortensis Species Agaricaceae Eukaryota UNPD*
NPO28670 Mortierella elongata Species Mortierellaceae Eukaryota UNPD*
NPO29329 Teucrium lepicephalum Species Lamiaceae Eukaryota UNPD*
NPO3853 Aspidosperma subincanum Species Apocynaceae Eukaryota UNPD*
NPO28656 Lactobacillus casei Species Lactobacillaceae Bacteria UNPD*
NPO28053 Quercus serrata Species Fagaceae Eukaryota UNPD*
NPO1277 Pamburus missionis Species Rutaceae Eukaryota UNPD*
NPO17562 Phyllidiella pustulosa Species Phyllidiidae Eukaryota UNPD*
NPO17431 Vernonia profuga Species Asteraceae Eukaryota UNPD*
NPO16269 Schizolaena hystrix Species Sarcolaenaceae Eukaryota UNPD*
NPO9982 Heptacyclum zenkeri NA NA NA UNPD*
NPO19487 Dorstenia mannii Species Moraceae Eukaryota UNPD*
NPO12450 Cneorum pulverulentum Species Rutaceae Eukaryota UNPD*
NPO16705 Krameria parvifolia Species Krameriaceae Eukaryota UNPD*
NPO29412 Stenocarpus sinuatus Species Proteaceae Eukaryota UNPD*
NPO2858 Ercolania funerea Species Limapontiidae Eukaryota UNPD*
NPO6729 Juniperus brevifolia Species Cupressaceae Eukaryota UNPD*
NPO28633 Bystropogon origanifolius Species Lamiaceae Eukaryota UNPD*
NPO7397 Tephrosia obovata Species Fabaceae Eukaryota UNPD*
NPO28374 Pleogyne cunninghami Species Menispermaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[22308371]
NPO13651 Chondodendron toxicoferum NA NA NA UNPD*
NPO28200 Unonopsis glaucopetala Species Annonaceae Eukaryota UNPD*
NPO5155 Peritassa compta Species Celastraceae Eukaryota UNPD*
NPO10176 Chrozophora prostrata Species Euphorbiaceae Eukaryota UNPD*
NPO28576 Berberis julianae Species Berberidaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[22411374]
NPO29169 Origanum vulgare Species Lamiaceae Eukaryota UNPD*
NPO28391 Euonymus nanoides Species Celastraceae Eukaryota UNPD*
NPO29223 Cystoseira algeriensis Species Sargassaceae Eukaryota UNPD*
NPO7317 Citrus aurantium Species Rutaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO10253 Pithecellobium dulce Species Fabaceae Eukaryota UNPD*
NPO14526 Plectranthus caninus Species Lamiaceae Eukaryota UNPD*
NPO10098 Glycosmis pseudoracemosa Species Rutaceae Eukaryota UNPD*
NPO1759 Alexandrium excavatum Species Gonyaulacaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[21359215]
NPO14947 Lathyrus tingitanus Species Fabaceae Eukaryota UNPD*
NPO6331 Jacobaea subalpina Species Asteraceae Eukaryota UNPD*
NPO5731 Euphorbia humifusa Species Euphorbiaceae Eukaryota UNPD*
NPO4787 Capuronianthus mahafalensis Species Meliaceae Eukaryota UNPD*
NPO23772 Tetradium glabrifolium Species Rutaceae Eukaryota UNPD*
NPO27959 Codonocarpus australis Species Gyrostemonaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota breast milk PMID[24027187]
NPO7569 Guatteria boliviana Species Annonaceae Eukaryota UNPD*
NPO5470 Cynoglossum amabile Species Boraginaceae Eukaryota UNPD*
NPO15248 Eriostemon tomentellus Species Rutaceae Eukaryota UNPD*
NPO28983 Cladonia grayi Species Cladoniaceae Eukaryota UNPD*
NPO4823 Psiadia dentata Species Asteraceae Eukaryota UNPD*
NPO20977 Capparis masaikai Species Capparaceae Eukaryota UNPD*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TCM_Taiwan*
NPO5398 Peucedanum oroselinum Species Apiaceae Eukaryota UNPD*
NPO22175 Perovskia abrotanoides Species Lamiaceae Eukaryota UNPD*
NPO471 Ardisia neriifolia Species Primulaceae Eukaryota UNPD*
NPO28782 Melodinus insulae-pinorum Species Apocynaceae Eukaryota UNPD*
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO16801 Cota tinctoria Species Asteraceae Eukaryota UNPD*
NPO22902 Alnus alnobetula Species Betulaceae Eukaryota UNPD*
NPO28528 Bridelia ferruginea Species Phyllanthaceae Eukaryota UNPD*
NPO18873.2 Salmonella enterica subsp. enterica serovar bovismorbificans Subspecies Enterobacteriaceae Bacteria UNPD*
NPO21027 Daphnia magna Species Daphniidae Eukaryota PMID[20117838]
NPO15145 Rauvolfia salicifolia Species Apocynaceae Eukaryota UNPD*
NPO9582 Ormocarpum kirkii Species Fabaceae Eukaryota UNPD*
NPO21260 Nectandra pichurim Species Lauraceae Eukaryota UNPD*
NPO954 Erythroxylum passerinum Species Erythroxylaceae Eukaryota UNPD*
NPO21658 Saccharomyces cerevisiae Species Saccharomycetaceae Eukaryota PMID[24678285]
NPO13658 Elsholtzia cristata Species Lamiaceae Eukaryota UNPD*
NPO5842 Annulohypoxylon truncatum Species Xylariaceae Eukaryota UNPD*
NPO3761 Plectosphaerella cucumerina Species Plectosphaerellaceae Eukaryota UNPD*
NPO14761 Serratula wolffii Species Asteraceae Eukaryota UNPD*
NPO2746 Apis cerana Species Apidae Eukaryota TCM_Taiwan*
NPO20081 Mycobacterium tuberculosis Species Mycobacteriaceae Bacteria UNPD*
NPO539 Picea vulgaris Species Pinaceae Eukaryota UNPD*
NPO20395 Athanasia crithmifolia Species Asteraceae Eukaryota UNPD*
NPO3597 Rheedia acuminata Species Clusiaceae Eukaryota UNPD*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TCM_Taiwan*
NPO6237 Cryptocarya aschersoniana Species Lauraceae Eukaryota UNPD*
NPO17045 Argyreia speciosa Species Convolvulaceae Eukaryota UNPD*
NPO18896 Swertia chinensis Species Gentianaceae Eukaryota UNPD*
NPO28035 Streptomyces fumanus Species Streptomycetaceae Bacteria UNPD*
NPO28907 Sonchus arvensis Species Asteraceae Eukaryota TCM_Taiwan*
NPO13077 Amygdalus communis vas NA NA NA TCMSP*
NPO6092 Symphyocladia latiuscula Species Rhodomelaceae Eukaryota UNPD*
NPO19948 Neolentinus lepideus Species Gloeophyllaceae Eukaryota UNPD*
NPO13622.1 Lespedeza thunbergii subsp. formosa Subspecies Fabaceae Eukaryota UNPD*
NPO22602 Pityrogramma tartarea Species Pteridaceae Eukaryota UNPD*
NPO28947 Dendrobium draconis Species Orchidaceae Eukaryota UNPD*
NPO29861 Aconitum carmichaeli Species Ranunculaceae Eukaryota TCM_Taiwan*
NPO16593 Herba clematidis aethusaefoliae NA NA NA TCMSP*
NPO7776 Pithomyces chartarum Species Pleosporaceae Eukaryota UNPD*
NPO2330 Alchornea cordifolia Species Euphorbiaceae Eukaryota UNPD*
NPO8418 Anemone flaccida Species Ranunculaceae Eukaryota UNPD*
NPO28714 Chromolaena opadoclinia Species Asteraceae Eukaryota UNPD*
NPO30602 Typhonium giganteum Species Araceae Eukaryota TCM_Taiwan*
NPO4440 Typhonii rhizoma NA NA NA TCMSP*
NPO19259 Agrostis epigeios Species Poaceae Eukaryota UNPD*
NPO1109 Corydalis persica Species Papaveraceae Eukaryota UNPD*
NPO28269 Rubus rosa Species Rosaceae Eukaryota UNPD*
NPO14062 Oophaga speciosa Species Dendrobatidae Eukaryota UNPD*
NPO31054 Epimedium brevicornum Species Berberidaceae Eukaryota TCM_Taiwan*
NPO29537 Canarii fructus NA NA NA TCMSP*
NPO15329 Rhizoplaca baranowii Species Lecanoraceae Eukaryota UNPD*
NPO28073 Crateva nurvala Species Capparaceae Eukaryota UNPD*
NPO9335 Gomophia watsoni NA NA NA UNPD*
NPO7521 Hygrophorus eburneus Species Hygrophoraceae Eukaryota UNPD*
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota TCM_Taiwan*
NPO14715 Trollius chinensis Species Ranunculaceae Eukaryota TCMSP*
NPO28614 Zieria smithii Species Rutaceae Eukaryota UNPD*
NPO13278 Strychnos spinosa Species Loganiaceae Eukaryota UNPD*
NPO27867 Turbo argyrostoma Species Turbinidae Eukaryota UNPD*
NPO28217 Septoria pistaciarum Species Mycosphaerellaceae Eukaryota UNPD*
NPO5881 Catharanthus roseus Species Apocynaceae Eukaryota TCM_Taiwan*
NPO12323 Bos taurus Species Bovidae Eukaryota TCM_Taiwan*
NPO27990 Schizonepeta multifida Species Lamiaceae Eukaryota UNPD*
NPO16669 Diospyros verrucosa Species Ebenaceae Eukaryota UNPD*
NPO5716 Mallotus nudiflorus Species Euphorbiaceae Eukaryota UNPD*
NPO5840 Stellaria heterophylla Species Caryophyllaceae Eukaryota UNPD*
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO12721 Liriodendron tulipifera Species Magnoliaceae Eukaryota TCM_Taiwan*
NPO28011 Swertia japonica Species Gentianaceae Eukaryota UNPD*
NPO1854 Cardiospermum hirsutum Species Sapindaceae Eukaryota UNPD*
NPO2466 Aloe microstigma Species Asphodelaceae Eukaryota UNPD*
NPO18488 Streptomyces griseolus Species Streptomycetaceae Bacteria UNPD*
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota TCM_Taiwan*
NPO15810 Zea mays Species Poaceae Eukaryota TCM_Taiwan*
NPO2746 Apis cerana Species Apidae Eukaryota UNPD*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota UNPD*
NPO2601 Ovis aries Species Bovidae Eukaryota UNPD*
NPO10756 Callitris drummondii Species Cupressaceae Eukaryota UNPD*
NPO18195 Maydis seigma NA NA NA TCMSP*
NPO16561 Viscum articulatum Species Viscaceae Eukaryota TCM_Taiwan*
NPO3699 Acacia aulacocarpa Species Fabaceae Eukaryota UNPD*
NPO5196 Eupatorium argentinum Species Asteraceae Eukaryota UNPD*
NPO8629 Ruppia maritima Species Cymodoceaceae Eukaryota UNPD*
NPO7196 Jaborosa parviflora Species Solanaceae Eukaryota UNPD*
NPO11482 Monodora brevipes Species Annonaceae Eukaryota UNPD*
NPO29665 Papaveris pericarpium NA NA NA TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO29343 Phoebe porosa Species Lauraceae Eukaryota UNPD*
NPO28596 Streptomyces lavendofoliae Species Streptomycetaceae Bacteria UNPD*
NPO3965 Corynanthe pachyceras Species Rubiaceae Eukaryota UNPD*
NPO28481 Cerbera dilatata Species Apocynaceae Eukaryota UNPD*
NPO11144 Centella asiatica Species Apiaceae Eukaryota UNPD*
NPO29115 Rhinella arenarum Species Bufonidae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO5973 Sonchus asper Species Asteraceae Eukaryota UNPD*
NPO24974 Zingiber montanum Species Zingiberaceae Eukaryota UNPD*
NPO18822 Dacrydium intermedium Species Mytilidae Eukaryota UNPD*
NPO17863 Artocarpus styracifolius Species Moraceae Eukaryota UNPD*
NPO28161 Stephania sutchuenensis Species Menispermaceae Eukaryota UNPD*
NPO16030 Lecanora coniza Species Lecanoraceae Eukaryota UNPD*
NPO13647 Calcarisporium thermophilum Species NA Eukaryota UNPD*
NPO8002 Solanum olgae Species Solanaceae Eukaryota UNPD*
NPO6906 Atalantia wightii Species Rutaceae Eukaryota UNPD*
NPO15233 Balanophora japonica Species Balanophoraceae Eukaryota UNPD*
NPO28303 Pleogyne cunninghamii Species Menispermaceae Eukaryota UNPD*
NPO16900 Aesculus turbinata Species Hippocastanaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 10000 nM 8893831
NPT2 Others Unspecified Activity = 18 % 8893831
NPT2 Others Unspecified Activity = 22 % 8893831
NPT1727 Individual Protein Acrosin Homo sapiens Inhibition = 30 % 7031247
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 153815.46 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 56623.93 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 100 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 1698.24 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 1000000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18837.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14963.1 nM PubChem BioAssay data set
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23710.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26832.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 432.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27306 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 600.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 8912.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 2238.7 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 707.9 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 NPC88278 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 NPC102981
1.0 High Similarity NPC227707
1.0 High Similarity NPC111882
1.0 High Similarity NPC99573
0.9024 High Similarity NPC207656
0.9024 High Similarity NPC107091
0.8649 High Similarity NPC86412
0.8649 High Similarity NPC325034
0.8649 High Similarity NPC66052
0.8649 High Similarity NPC293908
0.8649 High Similarity NPC192065
0.8605 High Similarity NPC314613
0.8605 High Similarity NPC88638
0.8222 Intermediate Similarity NPC325822
0.8222 Intermediate Similarity NPC61270
0.8049 Intermediate Similarity NPC266553
0.7838 Intermediate Similarity NPC197207
0.7838 Intermediate Similarity NPC127074
0.7838 Intermediate Similarity NPC182541
0.7838 Intermediate Similarity NPC187058
0.7838 Intermediate Similarity NPC149070
0.7708 Intermediate Similarity NPC278465
0.7708 Intermediate Similarity NPC322803
0.7708 Intermediate Similarity NPC321102
0.7708 Intermediate Similarity NPC325153
0.75 Intermediate Similarity NPC320240
0.75 Intermediate Similarity NPC70756
0.7347 Intermediate Similarity NPC244869
0.7347 Intermediate Similarity NPC300235
0.7347 Intermediate Similarity NPC476136
0.7347 Intermediate Similarity NPC476149
0.7174 Intermediate Similarity NPC69445
0.7174 Intermediate Similarity NPC165846
0.7174 Intermediate Similarity NPC176017
0.7174 Intermediate Similarity NPC285364
0.7174 Intermediate Similarity NPC21209
0.7174 Intermediate Similarity NPC255377
0.7174 Intermediate Similarity NPC92246
0.7174 Intermediate Similarity NPC289758
0.7174 Intermediate Similarity NPC73906
0.7174 Intermediate Similarity NPC199857
0.7111 Intermediate Similarity NPC29721
0.7027 Intermediate Similarity NPC33415
0.7027 Intermediate Similarity NPC301586
0.7027 Intermediate Similarity NPC325345
0.7021 Intermediate Similarity NPC277475
0.7021 Intermediate Similarity NPC321087
0.6875 Remote Similarity NPC318700
0.6875 Remote Similarity NPC14144
0.6875 Remote Similarity NPC188428
0.6852 Remote Similarity NPC182903
0.6757 Remote Similarity NPC320326
0.6735 Remote Similarity NPC157193
0.6735 Remote Similarity NPC282143
0.6735 Remote Similarity NPC299781
0.6735 Remote Similarity NPC42503
0.6727 Remote Similarity NPC174485
0.6667 Remote Similarity NPC230789
0.6667 Remote Similarity NPC252918
0.66 Remote Similarity NPC323574
0.6545 Remote Similarity NPC476209
0.6531 Remote Similarity NPC247546
0.6531 Remote Similarity NPC112363
0.6531 Remote Similarity NPC172086
0.6522 Remote Similarity NPC86191
0.6522 Remote Similarity NPC213159
0.6522 Remote Similarity NPC298699
0.6522 Remote Similarity NPC317182
0.6522 Remote Similarity NPC134252
0.6522 Remote Similarity NPC291502
0.6471 Remote Similarity NPC326533
0.6471 Remote Similarity NPC124963
0.6471 Remote Similarity NPC23134
0.6471 Remote Similarity NPC233726
0.64 Remote Similarity NPC82512
0.625 Remote Similarity NPC240994
0.6226 Remote Similarity NPC242073
0.6226 Remote Similarity NPC323361
0.6226 Remote Similarity NPC269166
0.6226 Remote Similarity NPC58629
0.6226 Remote Similarity NPC145112
0.6226 Remote Similarity NPC157514
0.6226 Remote Similarity NPC317501
0.6226 Remote Similarity NPC246558
0.6226 Remote Similarity NPC130683
0.6226 Remote Similarity NPC314821
0.6226 Remote Similarity NPC317626
0.6226 Remote Similarity NPC89145
0.6226 Remote Similarity NPC67660
0.6226 Remote Similarity NPC165198
0.6226 Remote Similarity NPC107914
0.6216 Remote Similarity NPC213764
0.619 Remote Similarity NPC227267
0.617 Remote Similarity NPC320189
0.617 Remote Similarity NPC228782
0.617 Remote Similarity NPC259982
0.617 Remote Similarity NPC313565
0.6154 Remote Similarity NPC329095
0.6111 Remote Similarity NPC303727
0.6053 Remote Similarity NPC560
0.6038 Remote Similarity NPC277878
0.6038 Remote Similarity NPC103672
0.6038 Remote Similarity NPC320043
0.6 Remote Similarity NPC94897
0.6 Remote Similarity NPC110884
0.5968 Remote Similarity NPC179823
0.5968 Remote Similarity NPC57788
0.5968 Remote Similarity NPC53879
0.5946 Remote Similarity NPC199270
0.5946 Remote Similarity NPC157340
0.5926 Remote Similarity NPC196612
0.5918 Remote Similarity NPC62014
0.5893 Remote Similarity NPC148424
0.5818 Remote Similarity NPC327257
0.5789 Remote Similarity NPC219040
0.5789 Remote Similarity NPC88887
0.5789 Remote Similarity NPC140389
0.5789 Remote Similarity NPC220922
0.5789 Remote Similarity NPC472025
0.5789 Remote Similarity NPC232554
0.5789 Remote Similarity NPC275462
0.575 Remote Similarity NPC159845
0.5714 Remote Similarity NPC267243
0.5714 Remote Similarity NPC122962
0.5692 Remote Similarity NPC321873
0.569 Remote Similarity NPC290179
0.569 Remote Similarity NPC34877
0.569 Remote Similarity NPC317023
0.569 Remote Similarity NPC322855
0.569 Remote Similarity NPC320032
0.569 Remote Similarity NPC170172
0.5641 Remote Similarity NPC252154
0.5614 Remote Similarity NPC3547
0.56 Remote Similarity NPC38891
0.56 Remote Similarity NPC270088
0.56 Remote Similarity NPC242655

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC88278 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
1.0 High Similarity NPD8996 Phase 3
1.0 High Similarity NPD8995 Clinical (unspecified phase)
0.9024 High Similarity NPD9219 Approved
0.9024 High Similarity NPD9218 Clinical (unspecified phase)
0.8649 High Similarity NPD9051 Approved
0.8649 High Similarity NPD9052 Approved
0.8649 High Similarity NPD9053 Approved
0.8222 Intermediate Similarity NPD9061 Clinical (unspecified phase)
0.7838 Intermediate Similarity NPD8814 Phase 3
0.7273 Intermediate Similarity NPD8957 Approved
0.7273 Intermediate Similarity NPD8958 Phase 2
0.7174 Intermediate Similarity NPD8999 Phase 3
0.7174 Intermediate Similarity NPD8997 Approved
0.7174 Intermediate Similarity NPD8998 Phase 2
0.7174 Intermediate Similarity NPD8993 Phase 1
0.7174 Intermediate Similarity NPD8994 Approved
0.7174 Intermediate Similarity NPD9000 Phase 3
0.7111 Intermediate Similarity NPD9006 Approved
0.7027 Intermediate Similarity NPD8988 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD8549 Clinical (unspecified phase)
0.6875 Remote Similarity NPD8965 Approved
0.6875 Remote Similarity NPD9065 Phase 3
0.6875 Remote Similarity NPD8966 Approved
0.6744 Remote Similarity NPD8976 Approved
0.6744 Remote Similarity NPD8977 Phase 3
0.6531 Remote Similarity NPD9005 Phase 3
0.6531 Remote Similarity NPD9139 Approved
0.6531 Remote Similarity NPD9003 Clinical (unspecified phase)
0.6531 Remote Similarity NPD9004 Approved
0.6522 Remote Similarity NPD8788 Approved
0.6471 Remote Similarity NPD8991 Phase 1
0.6471 Remote Similarity NPD905 Approved
0.6471 Remote Similarity NPD904 Phase 3
0.6226 Remote Similarity NPD889 Approved
0.6226 Remote Similarity NPD9036 Phase 3
0.6226 Remote Similarity NPD895 Approved
0.6226 Remote Similarity NPD890 Clinical (unspecified phase)
0.6226 Remote Similarity NPD887 Approved
0.6226 Remote Similarity NPD891 Phase 3
0.6226 Remote Similarity NPD893 Approved
0.6226 Remote Similarity NPD9035 Clinical (unspecified phase)
0.6226 Remote Similarity NPD892 Phase 3
0.6226 Remote Similarity NPD888 Phase 3
0.6226 Remote Similarity NPD894 Approved
0.6154 Remote Similarity NPD9001 Clinical (unspecified phase)
0.6154 Remote Similarity NPD9002 Approved
0.6038 Remote Similarity NPD9010 Approved
0.6038 Remote Similarity NPD9049 Discontinued
0.6038 Remote Similarity NPD72 Approved
0.6038 Remote Similarity NPD8960 Approved
0.6038 Remote Similarity NPD66 Approved
0.6038 Remote Similarity NPD9011 Approved
0.6038 Remote Similarity NPD9009 Approved
0.6038 Remote Similarity NPD64 Approved
0.6038 Remote Similarity NPD2269 Approved
0.6038 Remote Similarity NPD65 Approved
0.6038 Remote Similarity NPD9008 Approved
0.6038 Remote Similarity NPD9050 Approved
0.6038 Remote Similarity NPD9007 Approved
0.5946 Remote Similarity NPD8226 Approved
0.5789 Remote Similarity NPD8959 Approved
0.5769 Remote Similarity NPD8964 Approved
0.5738 Remote Similarity NPD371 Approved
0.5692 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5614 Remote Similarity NPD2267 Suspended
0.5614 Remote Similarity NPD73 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL1222251
ZINC  

Physicochemical Properties

Molecular Weight:  180.06
ALogP:  -3.0642
MLogP:  1.46
XLogP:  -1.458
# Rotatable Bonds:  6
Polar Surface Area:  121.38
# H-Bond Aceptor:  6
# H-Bond Donor:  6
# Rings:  1
# Heavy Atoms:  12

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