NPASS Natural Product

Natural Product: NPC171928

Natural Product ID:	NPC171928
Common Name:	Sesamin
IUPAC Name:	5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
Synonyms:
Molecular Formula:	C20H18O6
Standard InCHIKey:	PEYUIKBAABKQKQ-AFHBHXEDSA-N
Standard InCHI:	InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
Canonical SMILES:	C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Reference
NPO9672	Lotus ucrainicus	Species	Fabaceae	Eukaryota			UNPD*
NPO23413	Crematogaster africana	Species	Formicidae	Eukaryota			UNPD*
NPO23834	Chlamydomonas allensworthii	Species	Chlamydomonadaceae	Eukaryota			UNPD*
NPO1182	Croton montevidensis	Species	Euphorbiaceae	Eukaryota			UNPD*
NPO14126	Garcinia oligantha	Species	Clusiaceae	Eukaryota			UNPD*
NPO23610	Aconitum tianschanicum	Species	Ranunculaceae	Eukaryota			UNPD*
NPO15166	Cephalotaxus hainanensis	Species	Taxaceae	Eukaryota			UNPD*
NPO5008	Hubertia tomentosa	Species	Asteraceae	Eukaryota			UNPD*
NPO10654	Lindera obtusiloba	Species	Lauraceae	Eukaryota			TM-MC*
NPO8703	Monopteryx uaucu	Species	Fabaceae	Eukaryota			UNPD*
NPO23499	Carpesium faberi	Species	Asteraceae	Eukaryota			UNPD*
NPO8392	Iryanthera polyneura	Species	Myristicaceae	Eukaryota			UNPD*
NPO23924	Psilotum nudum	Species	Psilotaceae	Eukaryota			UNPD*
NPO30573	Antrodia camphorata	Species	Fomitopsidaceae	Eukaryota			PMID[17559265]
NPO6210	Eurhynchium striatum	Species	Brachytheciaceae	Eukaryota			UNPD*
NPO19535	Senecio zoellneri	Species	Asteraceae	Eukaryota			UNPD*
NPO2501	Trifolium strepens	Species	Fabaceae	Eukaryota			UNPD*
NPO2393	Matsumurella chinensis	Species	Lamiaceae	Eukaryota			UNPD*
NPO15538	Corymbia citriodora	Species	Myrtaceae	Eukaryota			UNPD*
NPO26237	Piper longum	Species	Piperaceae	Eukaryota			TM-MC*
NPO8520	Mucor spinosus	Species	Mucoraceae	Eukaryota			UNPD*
NPO10282	Solenostoma triste	Species	Solenostomataceae	Eukaryota			UNPD*
NPO5937	Garrya laurifolia	Species	Garryaceae	Eukaryota			UNPD*
NPO15066	Iridaea membranacea	Species	Gigartinaceae	Eukaryota			UNPD*
NPO7909	Parmelia vittata	Species	Parmeliaceae	Eukaryota			UNPD*
NPO15935	Pinus parviflora	Species	Pinaceae	Eukaryota			UNPD*
NPO1270	Potamogeton malaianus	Species	Potamogetonaceae	Eukaryota			UNPD*
NPO9851	Ethulia conyzoides	Species	Asteraceae	Eukaryota			UNPD*
NPO24778	Sesamum indicum	Species	Pedaliaceae	Eukaryota			TM-MC*
NPO3930	Podocarpus brevifolius	Species	Podocarpaceae	Eukaryota			UNPD*
NPO1613	Cuscuta chinensis	Species	Convolvulaceae	Eukaryota			TCM_Taiwan*
NPO6648	Piper retrofractum	Species	Piperaceae	Eukaryota			UNPD*
NPO4424	Salvia amplexicaulis	Species	Lamiaceae	Eukaryota			UNPD*
NPO21390	Zanthoxylum integrifoliolum	Species	Rutaceae	Eukaryota	fruit	Lanyu Island, Taitung County, Taiwan	PMID[10395498]
NPO12347	Pseudomonas syringae	Species	Pseudomonadaceae	Bacteria			UNPD*
NPO23961	Scytonema ocellatum	Species	Scytonemataceae	Bacteria			UNPD*
NPO11511	Cochlearia officinalis	Species	Brassicaceae	Eukaryota			UNPD*
NPO495	Daemonorops draco	Species	Arecaceae	Eukaryota			UNPD*
NPO12468.1	Asarum heterotropoides var. mandshuricum	Varieties	Aristolochiaceae	Eukaryota			TCMID*
NPO24778	Sesamum indicum	Species	Pedaliaceae	Eukaryota			TCM_Taiwan*
NPO10900	Cinnamomum subavenium	Species	Lauraceae	Eukaryota			UNPD*
NPO4493	Polygonum flaccidum	Species	Polygonaceae	Eukaryota			UNPD*
NPO25695	Oplopanax horridus	Species	Araliaceae	Eukaryota			PMID[20218656]
NPO14567	Ursinia anethoides	Species	Asteraceae	Eukaryota			UNPD*
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota			UNPD*
NPO7266	Goupia glabra	Species	Goupiaceae	Eukaryota			UNPD*
NPO11505	Nigella aristata	Species	Ranunculaceae	Eukaryota			UNPD*
NPO11699	Ecballium elaterium	Species	Cucurbitaceae	Eukaryota			UNPD*
NPO2846	Piper sarmentosum	Species	Piperaceae	Eukaryota	Twigs		PMID[21973101]
NPO2840	Podocarpus minor	Species	Podocarpaceae	Eukaryota			UNPD*
NPO16877	Aconitum episcopale	Species	Ranunculaceae	Eukaryota			UNPD*
NPO24249	Codonopsis cordifolioidea	Species	Campanulaceae	Eukaryota			UNPD*
NPO3968	Dracontium loretense	Species	Araceae	Eukaryota			UNPD*
NPO16552	Aromia moschata	Species	Cerambycidae	Eukaryota			UNPD*
NPO3803	Ardisia japonica	Species	Primulaceae	Eukaryota			UNPD*
NPO9305	Iotrochota purpurea	Species	Iotrochotidae	Eukaryota			UNPD*
NPO12429	Acicarpha tribuloides	Species	Calyceraceae	Eukaryota			UNPD*
NPO2846	Piper sarmentosum	Species	Piperaceae	Eukaryota	Stems		PMID[21973101]
NPO3302	Fusarium avenaceum	Species	Nectriaceae	Eukaryota			UNPD*
NPO11137	Dichotomanthes tristaniicarpa	Species	Rosaceae	Eukaryota			UNPD*
NPO14403	Taiwanofungus camphoratus	Species	Coriolaceae	Eukaryota	fruiting body		PMID[21115251]
NPO7042	Myrica arborea	Species	Myricaceae	Eukaryota			UNPD*
NPO21963	Hypericum japonicum	Species	Hypericaceae	Eukaryota			UNPD*
NPO9950	Coelogyne nitida	Species	Orchidaceae	Eukaryota			UNPD*
NPO22324	Erium villosum	Species	Pseudococcidae	Eukaryota			UNPD*
NPO1585	Onobrychis bobrovii	Species	Fabaceae	Eukaryota			UNPD*
NPO2846	Piper sarmentosum	Species	Piperaceae	Eukaryota	inflorescence		PMID[21973101]
NPO14951	Zanthoxylum acanthopodium	Species	Rutaceae	Eukaryota			UNPD*
NPO12488	Bupleurum rigidum	Species	Apiaceae	Eukaryota			UNPD*
NPO6336	Asarum sieboldii	Species	Aristolochiaceae	Eukaryota	roots		PMID[22381047]
NPO21908	Corymbia scabrida	Species	Myrtaceae	Eukaryota			UNPD*
NPO27487	Silene banksia	Species	Caryophyllaceae	Eukaryota			UNPD*
NPO17015	Plantago hookeriana	Species	Plantaginaceae	Eukaryota			UNPD*
NPO11811	Capparis ovata	Species	Capparaceae	Eukaryota			UNPD*
NPO23114	Cacalia robusta	Species	Asteraceae	Eukaryota			UNPD*
NPO10274	Pothomorphe peltata	NA	NA	NA			UNPD*
NPO2846	Piper sarmentosum	Species	Piperaceae	Eukaryota	Leaves		PMID[21973101]
NPO24256	Athrotaxis selaginoides	Species	Cupressaceae	Eukaryota			UNPD*
NPO13926	Protaetia cuprea	Species	Scarabaeidae	Eukaryota			UNPD*
NPO7045	Viviparus japonicus	Species	Viviparidae	Eukaryota			UNPD*
NPO24005	Mytilus galloprovincialis	Species	Mytilidae	Eukaryota			UNPD*
NPO19004	Dryobalanops camphora	Species	Dipterocarpaceae	Eukaryota			UNPD*
NPO7536	Mycoplasma mycoides	Species	Mycoplasmataceae	Bacteria			UNPD*
NPO6880	Crocus corsicus	Species	Iridaceae	Eukaryota			UNPD*
NPO876	Didymosphaeria enalia	Species	Didymosphaeriaceae	Eukaryota			UNPD*
NPO20578	Kallichroma tethys	Species	Bionectriaceae	Eukaryota			UNPD*
NPO5469	Pseudoxandra sclerocarpa	Species	Annonaceae	Eukaryota			UNPD*
NPO6336	Asarum sieboldii	Species	Aristolochiaceae	Eukaryota			TCM_Taiwan*
NPO4221	Fusarium sacchari	Species	Nectriaceae	Eukaryota			UNPD*
NPO23739	Staehelina fruticosa	Species	Asteraceae	Eukaryota			UNPD*
NPO16722	Tolypothrix nodosa	Species	Tolypothrichaceae	Bacteria			UNPD*
NPO13389	Cystoseira barbatula	Species	Sargassaceae	Eukaryota			UNPD*
NPO22143	Genista sessilifolia	Species	Fabaceae	Eukaryota			UNPD*
NPO12188	Datisca glomerata	Species	Datiscaceae	Eukaryota			UNPD*
NPO8477	Myristica cagayanensis	Species	Myristicaceae	Eukaryota			UNPD*
NPO12993	Polypodium vulgare	Species	Polypodiaceae	Eukaryota			UNPD*
NPO20998	Machaerium kuhlmannii	Species	Dolichopodidae	Eukaryota			UNPD*
NPO11151	Arnebia decumbens	Species	Boraginaceae	Eukaryota			UNPD*
NPO10869	Cota saguramica	Species	Asteraceae	Eukaryota			UNPD*
NPO23884	Hippobroma longiflora	Species	Campanulaceae	Eukaryota			UNPD*
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	Stems		Nat. Prod. Commun.,2006,1: 21
NPO3741	Pagrus major	Species	Sparidae	Eukaryota			UNPD*
NPO20319	Kopsia jasminiflora	Species	Apocynaceae	Eukaryota			UNPD*
NPO10459	Brickellia longifolia	Species	Asteraceae	Eukaryota			UNPD*
NPO22595	Trapa bicornis	Species	Lythraceae	Eukaryota			UNPD*
NPO12121	Streptomyces naraensis	Species	Streptomycetaceae	Bacteria			UNPD*
NPO2360	Jatropha mahafalensis	Species	Euphorbiaceae	Eukaryota			UNPD*
NPO17537	Anthotroche blackii	Species	Solanaceae	Eukaryota			UNPD*
NPO22084	Stypandra imbricata	Species	Asphodelaceae	Eukaryota			UNPD*
NPO8089	Hypericum chinense	Species	Hypericaceae	Eukaryota	Leaves		PMID[21043475]
NPO7142	Corydalis suaveolens	Species	Papaveraceae	Eukaryota			UNPD*
NPO12539	Lissoclinum japonicum	Species	Didemnidae	Eukaryota			UNPD*
NPO13320	Glycosmis puberula	Species	Rutaceae	Eukaryota			UNPD*
NPO11239	Dittrichia viscosa	Species	Asteraceae	Eukaryota			UNPD*
NPO681	Mesua ferrea	Species	Calophyllaceae	Eukaryota			UNPD*
NPO13829	Cryptocarya angulata	Species	Lauraceae	Eukaryota			UNPD*
NPO12308	Metridium senile	Species	Metridiidae	Eukaryota			UNPD*
NPO964	Homalium laurifolium	Species	Salicaceae	Eukaryota			UNPD*
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota			TCM_Taiwan*
NPO24090	Aplysilla rosea	Species	Darwinellidae	Eukaryota			UNPD*
NPO14236	Physalis coztomatl	Species	Solanaceae	Eukaryota			UNPD*
NPO230	Palisota barteri	Species	Commelinaceae	Eukaryota			UNPD*
NPO24219	Erylus nobilis	Species	Geodiidae	Eukaryota			UNPD*
NPO844	Eperua bijuga	Species	Fabaceae	Eukaryota			UNPD*
NPO4518.1	Saccharothrix mutabilis subsp. capreolus	Subspecies	Pseudonocardiaceae	Bacteria			UNPD*
NPO21084	Nymphaea caerulea	Species	Nymphaeaceae	Eukaryota			UNPD*
NPO13127	Vallaris heynei	Species	Apocynaceae	Eukaryota			UNPD*
NPO23364	Lambertella corni	Species	Rutstroemiaceae	Eukaryota			UNPD*
NPO8339	Lithothamnion corallioides	Species	Hapalidiaceae	Eukaryota			UNPD*
NPO23459	Onoseris alata	Species	Asteraceae	Eukaryota			UNPD*
NPO61	Phoebe grandis	Species	Lauraceae	Eukaryota			UNPD*
NPO8035	Tylophora tanakae	Species	Apocynaceae	Eukaryota			UNPD*
NPO18894	Karenia mikimotoi	Species	Kareniaceae	Eukaryota			UNPD*
NPO15275	Briareum asbestinum	Species	Briareidae	Eukaryota			UNPD*
NPO15902	Iris spuria	Species	Iridaceae	Eukaryota			UNPD*
NPO11256	Pseudowintera colorata	Species	Winteraceae	Eukaryota			UNPD*
NPO16043	Centaurea musimomum	Species	Asteraceae	Eukaryota			UNPD*
NPO761	Fagus fusca	Species	Fagaceae	Eukaryota			UNPD*
NPO21526	Scabiosa rotata	Species	Caprifoliaceae	Eukaryota			UNPD*
NPO5536	Papaver persicum	Species	Papaveraceae	Eukaryota			UNPD*
NPO3793	Artemisia rutifolia	Species	Asteraceae	Eukaryota			UNPD*
NPO25663	Piscidia piscipula	Species	Fabaceae	Eukaryota			UNPD*
NPO12888	Echinus microtuberculatus	Species	Echinidae	Eukaryota			UNPD*
NPO15419	Tunica prolifera	NA	NA	NA			UNPD*
NPO17389	Papilio xuthus	Species	Papilionidae	Eukaryota			UNPD*
NPO21337	Libanotis transcaucasica	Species	Apiaceae	Eukaryota			UNPD*
NPO17737	Lepidorhinus squamosus	NA	NA	NA			UNPD*
NPO4430	Phelline brachyphylla	Species	Phellinaceae	Eukaryota			UNPD*
NPO1912	Acanthosyris paulo-alvinii	Species	Cervantesiaceae	Eukaryota			UNPD*
NPO23679	Streptomyces roseiscleroticus	Species	Streptomycetaceae	Bacteria			UNPD*
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota			UNPD*
NPO29600	Stemonae radix	NA	NA	NA			TCMSP*
NPO23696	Solanum diflorum	Species	Solanaceae	Eukaryota			UNPD*
NPO3939	Ardisia arborescens	Species	Primulaceae	Eukaryota			UNPD*
NPO10393	Ophidiaster ophidianus	Species	Ophidiasteridae	Eukaryota			UNPD*
NPO24176	Streptomyces fradiae	Species	Streptomycetaceae	Bacteria			UNPD*
NPO25131	Parmelia weberi	Species	Parmeliaceae	Eukaryota			UNPD*
NPO12669	Cassine papillosa	Species	Celastraceae	Eukaryota			UNPD*
NPO15020	Flindersia amboinensis	Species	Rutaceae	Eukaryota			UNPD*
NPO704	Quassia amara	Species	Simaroubaceae	Eukaryota			UNPD*
NPO23792	Gomphostemma parviflorum	Species	Lamiaceae	Eukaryota			UNPD*
NPO2846	Piper sarmentosum	Species	Piperaceae	Eukaryota			UNPD*
NPO29721	Cuscutae semen	NA	NA	NA			TCMSP*
NPO4138	Betula platyphylla	Species	Betulaceae	Eukaryota			UNPD*
NPO23545	Vellozia streptophylla	Species	Velloziaceae	Eukaryota			UNPD*
NPO19078	Lophocolea bidentata	Species	Lophocoleaceae	Eukaryota			UNPD*
NPO5823	Helichrysum auriceps	Species	Asteraceae	Eukaryota			UNPD*
NPO9166	Monascus rubropunctatus	Species	Fellodistomidae	Eukaryota			UNPD*
NPO15252	Clathria prolifera	Species	Microcionidae	Eukaryota			UNPD*
NPO20637	Piper acutifolium	Species	Piperaceae	Eukaryota			UNPD*
NPO8468	Penaeus bennettae	Species	Penaeidae	Eukaryota			UNPD*
NPO1027	Scrophularia leucoclada	Species	Scrophulariaceae	Eukaryota			UNPD*
NPO9338	Polygala aureocauda	Species	Polygalaceae	Eukaryota			UNPD*
NPO9650	Zanthoxylum nitidum	Species	Rutaceae	Eukaryota			TCMSP*
NPO24048	Cladonia pityrea	Species	Cladoniaceae	Eukaryota			UNPD*
NPO23281	Aplysinella rhax	Species	Aplysinellidae	Eukaryota			UNPD*
NPO2608	Solanum andigena	Species	Solanaceae	Eukaryota			UNPD*
NPO24374	Brunsvigia orientalis	Species	Amaryllidaceae	Eukaryota			UNPD*
NPO24395	Diospyros melanoxylon	Species	Ebenaceae	Eukaryota			UNPD*
NPO14989	Acanthothamnus aphyllus	Species	Celastraceae	Eukaryota			UNPD*
NPO3736	Scrophularia koelzii	Species	Scrophulariaceae	Eukaryota			UNPD*
NPO14191	Berkheya rhapontica	Species	Asteraceae	Eukaryota			UNPD*
NPO28934	Gentianae radix et rhozima	NA	NA	NA			TCMSP*
NPO2721	Palythoa variabilis	Species	Sphenopidae	Eukaryota			UNPD*
NPO10250	Alectoria rigida	Species	Parmeliaceae	Eukaryota			UNPD*
NPO3378	Alstonia undulifolia	Species	Apocynaceae	Eukaryota			UNPD*
NPO7963	Excoecaria acerifolia	Species	Euphorbiaceae	Eukaryota			UNPD*
NPO3324	Pithomyces graminicola	Species	Pleosporaceae	Eukaryota			UNPD*
NPO20070	Crinum stuhlmannii	Species	Amaryllidaceae	Eukaryota			UNPD*
NPO6428	Euphorbia wangii	Species	Euphorbiaceae	Eukaryota			UNPD*
NPO29719	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota			TCMSP*
NPO6614	Rubus pileatus	Species	Rosaceae	Eukaryota			UNPD*
NPO745	Rubus trifidus	Species	Rosaceae	Eukaryota			UNPD*
NPO19872	Achillea magnifica	Species	Asteraceae	Eukaryota			UNPD*
NPO15548	Sinularia leptoclados	Species	Alcyoniidae	Eukaryota			UNPD*
NPO24445	Arbacia pustulosa	Species	Arbaciidae	Eukaryota			UNPD*
NPO8569	Aiouea trinervis	Species	Lauraceae	Eukaryota			UNPD*
NPO23318	Aconitum palmatum	Species	Ranunculaceae	Eukaryota			UNPD*
NPO20120	Asari radix et rhizoma	NA	NA	NA			TCMSP*
NPO2324	Phoma herbarum	Species	Didymellaceae	Eukaryota			UNPD*
NPO11553	Phebalium dentatum	Species	Rutaceae	Eukaryota			UNPD*
NPO14864	Clerodendrum cyrtophyllum	Species	Lamiaceae	Eukaryota			UNPD*
NPO10423	Sibthorpia europaea	Species	Plantaginaceae	Eukaryota			UNPD*
NPO13549	Otanthus maritimus	Species	Asteraceae	Eukaryota			UNPD*
NPO1450	Sticta coronata	Species	Lobariaceae	Eukaryota			UNPD*
NPO7709	Spiracantha cornifolia	Species	Asteraceae	Eukaryota			UNPD*
NPO29556	Piperis longi fructus	NA	NA	NA			TCMSP*
NPO4410	Laggera alata	Species	Asteraceae	Eukaryota			UNPD*
NPO11282	Usnea dasopoga	Species	Parmeliaceae	Eukaryota			UNPD*
NPO9734	Vincetoxicum hirundinaria	Species	Apocynaceae	Eukaryota			UNPD*
NPO16988	Pseudodistoma novaezelandiae	Species	Pseudodistomidae	Eukaryota			UNPD*
NPO16119	Eucalyptus hybrid	Species	Myrtaceae	Eukaryota			UNPD*
NPO5782	Aniba rosaeodora	Species	Lauraceae	Eukaryota			UNPD*
NPO2298	Streptomyces platensis	Species	Streptomycetaceae	Bacteria			UNPD*
NPO8500	Eleutherococcus gracilistylus	Species	Araliaceae	Eukaryota			TM-MC*
NPO17084	Marsilea quadrifolia	Species	Marsileaceae	Eukaryota			UNPD*
NPO21625	Bidens tripartita	Species	Asteraceae	Eukaryota			UNPD*
NPO11316	Pandanus boninensis	Species	Pandanaceae	Eukaryota			UNPD*
NPO5657	Oocystis polymorpha	Species	Oocystaceae	Eukaryota			UNPD*
NPO22301	Pinus hartwegii	Species	Pinaceae	Eukaryota			UNPD*
NPO5021	Podospora curvicolla	Species	Lasiosphaeriaceae	Eukaryota			UNPD*
NPO4699	Dracaena ombet	Species	Asparagaceae	Eukaryota			UNPD*
NPO12436	Quercus imbricaria	Species	Fagaceae	Eukaryota			UNPD*
NPO11872	Eleutherococcus senticosus	Species	Araliaceae	Eukaryota			TM-MC*
NPO830	Scomber japonicus	Species	Scombridae	Eukaryota			UNPD*
NPO5567	Pestalotiopsis adusta	Species	Sporocadaceae	Eukaryota			UNPD*
NPO23211	Xyris indica	Species	Xyridaceae	Eukaryota			UNPD*
NPO16587	Actinodaphne longifolia	Species	Lauraceae	Eukaryota			UNPD*
NPO14407	Stachyurus praecox	Species	Stachyuraceae	Eukaryota			UNPD*
NPO3974	Ferula gummosa	Species	Apiaceae	Eukaryota			UNPD*
NPO21827	Albatrellus caeruleoporus	Species	Albatrellaceae	Eukaryota			UNPD*
NPO7158	Schefflera venulosa	Species	Araliaceae	Eukaryota			UNPD*
NPO12125	Pseudomonas stutzeri	Species	Pseudomonadaceae	Bacteria			UNPD*
NPO4503	Bryonopsis laciniosa	NA	NA	NA			UNPD*
NPO753	Acanthopanax sessiliflorum	NA	NA	NA			TM-MC*
NPO15193	Cacia concinna	NA	NA	NA			UNPD*
NPO11021	Moringa oleifera	Species	Moringaceae	Eukaryota			UNPD*
NPO992	Betula alnoides	Species	Betulaceae	Eukaryota			UNPD*
NPO16241	Eucalyptus perriniana	Species	Myrtaceae	Eukaryota			UNPD*
NPO12544	Dioscorea olfersiana	Species	Dioscoreaceae	Eukaryota			UNPD*
NPO22653	Ecionemia geodides	Species	Ancorinidae	Eukaryota			UNPD*
NPO4251	Photorhabdus luminescens	Species	Morganellaceae	Bacteria			UNPD*
NPO2703	Petteria ramentacea	Species	Fabaceae	Eukaryota			UNPD*
NPO26712	Cladrastis kentukea	Species	Fabaceae	Eukaryota			UNPD*
NPO12468	Asarum heterotropoides	Species	Aristolochiaceae	Eukaryota			TM-MC*
NPO24132	Euphausia superba	Species	Euphausiidae	Eukaryota			UNPD*
NPO23642	Penicillium tardum	Species	Aspergillaceae	Eukaryota			UNPD*
NPO6253	Conus pulicarius	Species	Conidae	Eukaryota			UNPD*
NPO5384	Ligustrum obtusifolium	Species	Oleaceae	Eukaryota			UNPD*
NPO13247	Stevia pilosa	Species	Asteraceae	Eukaryota			UNPD*
NPO4720	Aglaia perviridis	Species	Meliaceae	Eukaryota			UNPD*
NPO13059	Abies webbiana	Species	Pinaceae	Eukaryota			UNPD*
NPO7642	Cleome gynandra	Species	Cleomaceae	Eukaryota			UNPD*
NPO6367	Cortinarius viola	Species	Cortinariaceae	Eukaryota			UNPD*
NPO6336	Asarum sieboldii	Species	Aristolochiaceae	Eukaryota			TM-MC*
NPO21779	Umbilicaria hypococcinea	Species	Umbilicariaceae	Eukaryota			UNPD*
NPO15862	Eminium lehmannii	Species	Araceae	Eukaryota			UNPD*
NPO4858	Helipterum gnaphaloides	Species	Asteraceae	Eukaryota			UNPD*
NPO14831	Mastophora hutchinsoni	Species	Corallinaceae	Eukaryota			UNPD*
NPO9509	Charpentiera obovata	Species	Amaranthaceae	Eukaryota			UNPD*
NPO2350	Microcos paniculata	Species	Malvaceae	Eukaryota			UNPD*
NPO7274	Strychnos psilosperma	Species	Loganiaceae	Eukaryota			UNPD*
NPO24408	Ariocarpus fissuratus	Species	Cactaceae	Eukaryota			UNPD*
NPO4659	Asiasarum heterotropoides	NA	NA	NA			TM-MC*
NPO8170	Hyphaene thebaica	Species	Arecaceae	Eukaryota			UNPD*
NPO3905	Medinilla magnifica	Species	Melastomataceae	Eukaryota			UNPD*
NPO823	Senecio cathcartensis	Species	Asteraceae	Eukaryota			UNPD*
NPO12383	Frullania brasiliensis	Species	Frullaniaceae	Eukaryota			UNPD*
NPO3474	Gynura japonica	Species	Asteraceae	Eukaryota			UNPD*
NPO6544	Carpesium longifolium	Species	Asteraceae	Eukaryota			UNPD*
NPO24109	Armillaria edodes	Species	Physalacriaceae	Eukaryota			UNPD*
NPO10666	Verbesina virginica	Species	Asteraceae	Eukaryota			UNPD*
NPO29078	Asiasarum sieboldii	NA	NA	NA			TM-MC*
NPO10210	Artabotrys uncinatus	Species	Annonaceae	Eukaryota			UNPD*
NPO9962	Pocillopora damicornis	Species	Pocilloporidae	Eukaryota			UNPD*
NPO8639	Agaricus xanthodermus	Species	Agaricaceae	Eukaryota			UNPD*
NPO11683	Crotalaria mitchellii	Species	Fabaceae	Eukaryota			UNPD*
NPO23920	Amanita pseudoporphyria	Species	Amanitaceae	Eukaryota			UNPD*
NPO18976	Centaurea arbutifolia	Species	Asteraceae	Eukaryota			UNPD*
NPO23043	Cryptolestes pusillus	Species	Laemophloeidae	Eukaryota			UNPD*
NPO8593	Zygosaccharomyces rouxii	Species	Saccharomycetaceae	Eukaryota			UNPD*
NPO28669	Cuscuta australis	Species	Convolvulaceae	Eukaryota			TM-MC*
NPO9922	Myelobia smerintha	Species	Crambidae	Eukaryota			UNPD*
NPO23922	Helichrysum oxyphyllum	Species	Asteraceae	Eukaryota			UNPD*
NPO10737	Asteriscus aquaticus	Species	Asteraceae	Eukaryota			UNPD*
NPO24290	Claviceps microcephala	Species	Clavicipitaceae	Eukaryota			UNPD*
NPO43	Leifsonia aquatica	Species	Microbacteriaceae	Bacteria			UNPD*
NPO6187	Sequoia sempervirens	Species	Cupressaceae	Eukaryota			UNPD*
NPO738	Dahlstedtia pentaphylla	Species	Fabaceae	Eukaryota			UNPD*
NPO2952	Schoenocaulon officinale	Species	Melanthiaceae	Eukaryota			UNPD*
NPO1613	Cuscuta chinensis	Species	Convolvulaceae	Eukaryota			TM-MC*
NPO20291	Phyllanthus oligospermus	Species	Phyllanthaceae	Eukaryota			UNPD*
NPO22455	Corydalis sewerzowi	Species	Papaveraceae	Eukaryota			UNPD*

Biological Activity

Activity Type	# Activity
EC50	1
ED50	5
IC50	5
MIC	1
Others	9
Potency	10

Activity Type	# Activity
Cell Line	6
Individual Protein	11
Organism	2
Others	12

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	90230	nM	17559265
NPT91	Cell Line	KB	Homo sapiens	ED50	>	100	ug/ml	521819
NPT2	Others	Unspecified		Activity	=	87.8	%	10395498
NPT2	Others	Unspecified		Activity	=	82.3	%	10395498
NPT2	Others	Unspecified		Activity	=	83.2	%	10395498
NPT2	Others	Unspecified		Activity	=	83.7	%	10395498
NPT2	Others	Unspecified		IC50	=	4.3	ug/ml	19128011
NPT2	Others	Unspecified		IC50	=	1.38	ug/ml	19128011
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	>	200	ug/ml	20218656
NPT54	Individual Protein	Nonstructural protein 1	Influenza A virus	Potency	=	2818.4	nM	PubChem BioAssay data set
NPT1184	Cell Line	Daoy	Homo sapiens	ED50	>	20	ug/ml	21115251
NPT1171	Cell Line	HEp-2	Homo sapiens	ED50	>	20	ug/ml	21115251
NPT83	Cell Line	MCF7	Homo sapiens	ED50	>	20	ug/ml	21115251
NPT165	Cell Line	HeLa	Homo sapiens	ED50	>	20	ug/ml	21115251
NPT2	Others	Unspecified		Potency		15848.9	nM	PubChem BioAssay data set
NPT198	Individual Protein	Vitamin D receptor	Homo sapiens	Potency		79432.8	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency		11689.1	nM	PubChem BioAssay data set
NPT7	Individual Protein	Thioredoxin reductase 1, cytoplasmic	Rattus norvegicus	Potency		89125.1	nM	PubChem BioAssay data set
NPT135	Individual Protein	Chromobox protein homolog 1	Homo sapiens	Potency		14125.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50	=	9400	nM	22381047
NPT2	Others	Unspecified		EC50	>	60000	nM	22381047
NPT2	Others	Unspecified		IC50	=	450000	nM	22818971
NPT671	Individual Protein	Acidic alpha-glucosidase	Rattus norvegicus	Inhibition	<	30	%	22818971
NPT462	Individual Protein	Sucrase-isomaltase	Rattus norvegicus	Inhibition	<	30	%	22818971
NPT10	Individual Protein	Geminin	Homo sapiens	Potency		5.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		6309.6	nM	PubChem BioAssay data set
NPT160	Individual Protein	TAR DNA-binding protein 43	Homo sapiens	Potency		11220.2	nM	PubChem BioAssay data set
NPT71	Cell Line	HEK293	Homo sapiens	Inhibition	=	39.7	%	24018191
NPT831	Individual Protein	Serine/threonine-protein kinase PLK1	Homo sapiens	Potency		26679.5	nM	PubChem BioAssay data set
NPT77	Individual Protein	Transthyretin	Homo sapiens	Inhibition	<	20	%	25314129
NPT212	Individual Protein	Cytochrome P450 2C9	Homo sapiens	Ratio	=	0.14	/uM/min	22752007

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 NPC171928 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	362
0.1-0.2	1149
0.2-0.3	2655
0.3-0.4	7281
0.4-0.5	6227
0.5-0.6	3952
0.6-0.7	6729
0.7-0.8	2034
0.8-0.85	332
0.85-0.9	116
0.9-0.95	36
0.95-1	16

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC129687
1.0	High Similarity	NPC33611
1.0	High Similarity	NPC16830
1.0	High Similarity	NPC158526
1.0	High Similarity	NPC100223
0.9762	High Similarity	NPC227160
0.9762	High Similarity	NPC82111
0.9683	High Similarity	NPC233224
0.9683	High Similarity	NPC271208
0.9615	High Similarity	NPC101807
0.9615	High Similarity	NPC469981
0.9535	High Similarity	NPC47181
0.9524	High Similarity	NPC158471
0.9524	High Similarity	NPC57119
0.9524	High Similarity	NPC226862
0.9524	High Similarity	NPC165128
0.9462	High Similarity	NPC189474
0.9462	High Similarity	NPC18576
0.9462	High Similarity	NPC474139
0.9398	High Similarity	NPC312199
0.9385	High Similarity	NPC31530
0.938	High Similarity	NPC7744
0.9328	High Similarity	NPC311057
0.9313	High Similarity	NPC148893
0.9313	High Similarity	NPC25333
0.9313	High Similarity	NPC49235
0.9308	High Similarity	NPC266848
0.9308	High Similarity	NPC136750
0.9291	High Similarity	NPC158737
0.9248	High Similarity	NPC88640
0.9248	High Similarity	NPC193666
0.9248	High Similarity	NPC123526
0.9231	High Similarity	NPC65183
0.9231	High Similarity	NPC261812
0.9231	High Similarity	NPC72046
0.9206	High Similarity	NPC18449
0.9206	High Similarity	NPC121783
0.9206	High Similarity	NPC34902
0.9154	High Similarity	NPC192255
0.9111	High Similarity	NPC471908
0.9104	High Similarity	NPC113550
0.9091	High Similarity	NPC170779
0.9091	High Similarity	NPC90083
0.9084	High Similarity	NPC147616
0.9084	High Similarity	NPC259742
0.9084	High Similarity	NPC104077
0.9084	High Similarity	NPC219671
0.9077	High Similarity	NPC134764
0.9077	High Similarity	NPC171550
0.9037	High Similarity	NPC46591
0.9023	High Similarity	NPC142547
0.9023	High Similarity	NPC135777
0.8978	High Similarity	NPC298317
0.8978	High Similarity	NPC265154
0.8978	High Similarity	NPC255566
0.8968	High Similarity	NPC126935
0.8968	High Similarity	NPC216929
0.8968	High Similarity	NPC312713
0.8968	High Similarity	NPC80241
0.8968	High Similarity	NPC301641
0.8968	High Similarity	NPC65933
0.8968	High Similarity	NPC172676
0.8968	High Similarity	NPC57268
0.8963	High Similarity	NPC156376
0.8955	High Similarity	NPC121651
0.8923	High Similarity	NPC222127
0.8923	High Similarity	NPC82862
0.8915	High Similarity	NPC40352
0.8915	High Similarity	NPC213711
0.8905	High Similarity	NPC474295
0.8897	High Similarity	NPC56091
0.8889	High Similarity	NPC185908
0.8881	High Similarity	NPC174191
0.8855	High Similarity	NPC476748
0.8846	High Similarity	NPC8050
0.8846	High Similarity	NPC473093
0.8846	High Similarity	NPC473092
0.8841	High Similarity	NPC12728
0.8841	High Similarity	NPC185071
0.8815	High Similarity	NPC11453
0.881	High Similarity	NPC344161
0.8797	High Similarity	NPC471505
0.8786	High Similarity	NPC3982
0.8779	High Similarity	NPC328682
0.8779	High Similarity	NPC281864
0.8779	High Similarity	NPC54321
0.8777	High Similarity	NPC179521
0.8777	High Similarity	NPC166884
0.8777	High Similarity	NPC477701
0.8777	High Similarity	NPC141569
0.8769	High Similarity	NPC112571
0.8769	High Similarity	NPC206882
0.8769	High Similarity	NPC285725
0.8769	High Similarity	NPC50683
0.8768	High Similarity	NPC472562
0.8768	High Similarity	NPC80326
0.8768	High Similarity	NPC246947
0.8759	High Similarity	NPC216434
0.8759	High Similarity	NPC103448
0.8759	High Similarity	NPC177868
0.875	High Similarity	NPC166184
0.875	High Similarity	NPC283949
0.8741	High Similarity	NPC184938
0.8741	High Similarity	NPC150534
0.8741	High Similarity	NPC101624
0.8731	High Similarity	NPC1474
0.8731	High Similarity	NPC196937
0.8722	High Similarity	NPC161557
0.8722	High Similarity	NPC7171
0.8722	High Similarity	NPC27843
0.8722	High Similarity	NPC115207
0.8722	High Similarity	NPC228346
0.8722	High Similarity	NPC158079
0.8722	High Similarity	NPC40432
0.8714	High Similarity	NPC469586
0.8714	High Similarity	NPC205316
0.8705	High Similarity	NPC477898
0.8696	High Similarity	NPC300798
0.8696	High Similarity	NPC58137
0.8676	High Similarity	NPC143895
0.8667	High Similarity	NPC19890
0.8667	High Similarity	NPC110958
0.8657	High Similarity	NPC181049
0.8657	High Similarity	NPC207400
0.8657	High Similarity	NPC106739
0.8643	High Similarity	NPC177644
0.8643	High Similarity	NPC191158
0.8643	High Similarity	NPC84181
0.8636	High Similarity	NPC470084
0.8633	High Similarity	NPC287124
0.8633	High Similarity	NPC302506
0.8633	High Similarity	NPC174522
0.8626	High Similarity	NPC186845
0.8626	High Similarity	NPC88297
0.8626	High Similarity	NPC9891
0.8623	High Similarity	NPC226547
0.8623	High Similarity	NPC278076
0.8613	High Similarity	NPC14022
0.8593	High Similarity	NPC169973
0.8582	High Similarity	NPC22150
0.8582	High Similarity	NPC180953
0.8582	High Similarity	NPC38041
0.8582	High Similarity	NPC279298
0.8571	High Similarity	NPC474808
0.8561	High Similarity	NPC472711
0.8561	High Similarity	NPC177167
0.8561	High Similarity	NPC98745
0.854	High Similarity	NPC32189
0.8521	High Similarity	NPC112861
0.8521	High Similarity	NPC205796
0.8521	High Similarity	NPC276753
0.8519	High Similarity	NPC4940
0.8511	High Similarity	NPC92693
0.8511	High Similarity	NPC218841
0.8507	High Similarity	NPC275950
0.8507	High Similarity	NPC242807
0.8507	High Similarity	NPC64201
0.8507	High Similarity	NPC187998
0.8507	High Similarity	NPC153739
0.8507	High Similarity	NPC257582
0.8507	High Similarity	NPC77040
0.8507	High Similarity	NPC42300
0.8507	High Similarity	NPC145305
0.8507	High Similarity	NPC241522
0.8507	High Similarity	NPC174495
0.8507	High Similarity	NPC92164
0.85	High Similarity	NPC176586
0.85	High Similarity	NPC210354
0.8496	Intermediate Similarity	NPC129570
0.8496	Intermediate Similarity	NPC45774
0.8496	Intermediate Similarity	NPC184733
0.8496	Intermediate Similarity	NPC282703
0.8496	Intermediate Similarity	NPC21867
0.8496	Intermediate Similarity	NPC128208
0.8496	Intermediate Similarity	NPC11258
0.8478	Intermediate Similarity	NPC196420
0.8478	Intermediate Similarity	NPC474039
0.8472	Intermediate Similarity	NPC240521
0.8467	Intermediate Similarity	NPC236522
0.8467	Intermediate Similarity	NPC99572
0.8467	Intermediate Similarity	NPC126409
0.8456	Intermediate Similarity	NPC205915
0.8451	Intermediate Similarity	NPC18979
0.8451	Intermediate Similarity	NPC42716
0.8451	Intermediate Similarity	NPC474749
0.8451	Intermediate Similarity	NPC477702
0.8451	Intermediate Similarity	NPC11422
0.8451	Intermediate Similarity	NPC178014
0.8444	Intermediate Similarity	NPC476345
0.8444	Intermediate Similarity	NPC277804
0.844	Intermediate Similarity	NPC470950
0.844	Intermediate Similarity	NPC185307
0.8433	Intermediate Similarity	NPC475875
0.8417	Intermediate Similarity	NPC9068
0.8409	Intermediate Similarity	NPC17348
0.8406	Intermediate Similarity	NPC25695
0.8406	Intermediate Similarity	NPC78047
0.8406	Intermediate Similarity	NPC230968
0.8406	Intermediate Similarity	NPC172818
0.8406	Intermediate Similarity	NPC102260

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC171928 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	324
0.1-0.2	888
0.2-0.3	1541
0.3-0.4	2818
0.4-0.5	1901
0.5-0.6	1091
0.6-0.7	524
0.7-0.8	72
0.8-0.85	1
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8672	High Similarity	NPD3705	Approved
0.8254	Intermediate Similarity	NPD5283	Phase 1
0.7899	Intermediate Similarity	NPD3027	Phase 3
0.7843	Intermediate Similarity	NPD4966	Approved
0.7843	Intermediate Similarity	NPD4965	Approved
0.7843	Intermediate Similarity	NPD4967	Phase 2
0.7744	Intermediate Similarity	NPD1357	Approved
0.7742	Intermediate Similarity	NPD6234	Discontinued
0.7703	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7647	Intermediate Similarity	NPD37	Approved
0.7568	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD6674	Discontinued
0.7518	Intermediate Similarity	NPD2981	Phase 2
0.75	Intermediate Similarity	NPD2861	Phase 2
0.7483	Intermediate Similarity	NPD1613	Approved
0.7483	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7464	Intermediate Similarity	NPD2983	Phase 2
0.7464	Intermediate Similarity	NPD2982	Phase 2
0.7434	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7421	Intermediate Similarity	NPD7199	Phase 2
0.7415	Intermediate Similarity	NPD1375	Discontinued
0.7407	Intermediate Similarity	NPD7228	Approved
0.74	Intermediate Similarity	NPD6783	Clinical (unspecified phase)
0.7376	Intermediate Similarity	NPD3018	Phase 2
0.7333	Intermediate Similarity	NPD5536	Phase 2
0.7333	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7319	Intermediate Similarity	NPD1091	Approved
0.7297	Intermediate Similarity	NPD7266	Discontinued
0.7285	Intermediate Similarity	NPD5058	Phase 3
0.7254	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7229	Intermediate Similarity	NPD7240	Approved
0.7222	Intermediate Similarity	NPD5109	Approved
0.7222	Intermediate Similarity	NPD5110	Phase 2
0.7222	Intermediate Similarity	NPD5111	Phase 2
0.72	Intermediate Similarity	NPD4237	Approved
0.72	Intermediate Similarity	NPD4236	Phase 3
0.7192	Intermediate Similarity	NPD3657	Discovery
0.7162	Intermediate Similarity	NPD4108	Discontinued
0.7161	Intermediate Similarity	NPD4210	Discontinued
0.7152	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD2978	Approved
0.7152	Intermediate Similarity	NPD2977	Approved
0.7152	Intermediate Similarity	NPD4110	Phase 3
0.7143	Intermediate Similarity	NPD228	Approved
0.7123	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD3620	Phase 2
0.7115	Intermediate Similarity	NPD6055	Clinical (unspecified phase)
0.7092	Intermediate Similarity	NPD5327	Phase 3
0.7091	Intermediate Similarity	NPD3818	Discontinued
0.7089	Intermediate Similarity	NPD3382	Approved
0.7089	Intermediate Similarity	NPD3384	Approved
0.7089	Intermediate Similarity	NPD3383	Approved
0.7083	Intermediate Similarity	NPD4908	Phase 1
0.7083	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD1610	Phase 2
0.707	Intermediate Similarity	NPD7028	Phase 2
0.7059	Intermediate Similarity	NPD7124	Phase 2
0.7059	Intermediate Similarity	NPD7157	Approved
0.7051	Intermediate Similarity	NPD1653	Approved
0.705	Intermediate Similarity	NPD5125	Phase 3
0.705	Intermediate Similarity	NPD5126	Approved
0.7047	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7047	Intermediate Similarity	NPD5588	Approved
0.7047	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7045	Intermediate Similarity	NPD2684	Approved
0.7044	Intermediate Similarity	NPD5563	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD6331	Phase 2
0.7037	Intermediate Similarity	NPD5494	Approved
0.7019	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7007	Intermediate Similarity	NPD4060	Phase 1
0.7	Intermediate Similarity	NPD2438	Suspended
0.7	Intermediate Similarity	NPD2161	Phase 2
0.6992	Remote Similarity	NPD3022	Approved
0.6992	Remote Similarity	NPD3021	Approved
0.6986	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.698	Remote Similarity	NPD6895	Approved
0.698	Remote Similarity	NPD6896	Approved
0.6978	Remote Similarity	NPD5585	Approved
0.6974	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6972	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD7843	Approved
0.6963	Remote Similarity	NPD5535	Approved
0.6959	Remote Similarity	NPD6355	Discontinued
0.6959	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD5735	Approved
0.6939	Remote Similarity	NPD554	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD1726	Clinical (unspecified phase)
0.6929	Remote Similarity	NPD17	Approved
0.6928	Remote Similarity	NPD6658	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6913	Remote Similarity	NPD2492	Phase 1
0.6906	Remote Similarity	NPD1182	Approved
0.6901	Remote Similarity	NPD1840	Phase 2
0.6901	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD6374	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD2979	Phase 3
0.6887	Remote Similarity	NPD3539	Phase 1
0.6879	Remote Similarity	NPD7243	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD6111	Discontinued
0.6867	Remote Similarity	NPD4538	Approved
0.6867	Remote Similarity	NPD4537	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD4536	Approved
0.6866	Remote Similarity	NPD5451	Approved
0.6863	Remote Similarity	NPD3060	Approved
0.6857	Remote Similarity	NPD5691	Approved
0.6853	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD3540	Phase 1
0.6842	Remote Similarity	NPD5763	Approved
0.6842	Remote Similarity	NPD5762	Approved
0.6842	Remote Similarity	NPD1358	Approved
0.6832	Remote Similarity	NPD8455	Phase 2
0.6824	Remote Similarity	NPD7685	Pre-registration
0.6821	Remote Similarity	NPD5960	Phase 3
0.6815	Remote Similarity	NPD1940	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD5261	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD6387	Discontinued
0.681	Remote Similarity	NPD5604	Discontinued
0.6809	Remote Similarity	NPD5846	Approved
0.6809	Remote Similarity	NPD6516	Phase 2
0.6806	Remote Similarity	NPD8651	Approved
0.6806	Remote Similarity	NPD2922	Phase 1
0.6805	Remote Similarity	NPD7074	Phase 3
0.6803	Remote Similarity	NPD7095	Approved
0.6786	Remote Similarity	NPD1548	Phase 1
0.6783	Remote Similarity	NPD1608	Approved
0.6779	Remote Similarity	NPD2238	Phase 2
0.6779	Remote Similarity	NPD1558	Phase 1
0.6779	Remote Similarity	NPD4140	Approved
0.6772	Remote Similarity	NPD5976	Discontinued
0.677	Remote Similarity	NPD1934	Approved
0.677	Remote Similarity	NPD7945	Clinical (unspecified phase)
0.6767	Remote Similarity	NPD3134	Approved
0.6765	Remote Similarity	NPD1137	Approved
0.6765	Remote Similarity	NPD1139	Approved
0.6758	Remote Similarity	NPD7680	Approved
0.6757	Remote Similarity	NPD5718	Phase 2
0.6755	Remote Similarity	NPD7119	Phase 2
0.6755	Remote Similarity	NPD7097	Phase 1
0.6753	Remote Similarity	NPD4162	Approved
0.6753	Remote Similarity	NPD5177	Phase 3
0.6752	Remote Similarity	NPD4123	Phase 3
0.6746	Remote Similarity	NPD7054	Approved
0.6738	Remote Similarity	NPD1651	Approved
0.6736	Remote Similarity	NPD3685	Discontinued
0.6736	Remote Similarity	NPD4359	Approved
0.6732	Remote Similarity	NPD2029	Clinical (unspecified phase)
0.6715	Remote Similarity	NPD1138	Approved
0.6713	Remote Similarity	NPD1281	Approved
0.6711	Remote Similarity	NPD6233	Phase 2
0.671	Remote Similarity	NPD4628	Phase 3
0.6709	Remote Similarity	NPD7526	Approved
0.6709	Remote Similarity	NPD7527	Clinical (unspecified phase)
0.6709	Remote Similarity	NPD52	Approved
0.6708	Remote Similarity	NPD6385	Approved
0.6708	Remote Similarity	NPD6386	Approved
0.6706	Remote Similarity	NPD7472	Approved
0.6691	Remote Similarity	NPD709	Approved
0.6689	Remote Similarity	NPD6353	Approved
0.6689	Remote Similarity	NPD6653	Approved
0.6688	Remote Similarity	NPD4664	Clinical (unspecified phase)
0.6688	Remote Similarity	NPD1372	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD8127	Discontinued
0.6687	Remote Similarity	NPD3817	Phase 2
0.6687	Remote Similarity	NPD4005	Discontinued
0.6687	Remote Similarity	NPD2563	Approved
0.6687	Remote Similarity	NPD2560	Approved
0.6667	Remote Similarity	NPD3454	Phase 3
0.6667	Remote Similarity	NPD7296	Approved
0.6667	Remote Similarity	NPD2231	Phase 2
0.6667	Remote Similarity	NPD2677	Approved
0.6667	Remote Similarity	NPD4481	Phase 3
0.6667	Remote Similarity	NPD2235	Phase 2
0.6667	Remote Similarity	NPD4420	Approved
0.6646	Remote Similarity	NPD4678	Approved
0.6646	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD3882	Suspended
0.6646	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD4675	Approved
0.6644	Remote Similarity	NPD6798	Discontinued
0.6644	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6643	Remote Similarity	NPD3596	Phase 2
0.6642	Remote Similarity	NPD968	Approved
0.663	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6626	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6626	Remote Similarity	NPD5772	Approved
0.6626	Remote Similarity	NPD5773	Approved
0.6625	Remote Similarity	NPD3686	Approved
0.6625	Remote Similarity	NPD3687	Approved
0.6623	Remote Similarity	NPD6002	Phase 3
0.6623	Remote Similarity	NPD1933	Approved
0.6623	Remote Similarity	NPD6004	Phase 3
0.6623	Remote Similarity	NPD4340	Discontinued
0.6623	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6623	Remote Similarity	NPD6005	Phase 3
0.6623	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6621	Remote Similarity	NPD4749	Approved
0.6607	Remote Similarity	NPD5242	Approved
0.6606	Remote Similarity	NPD4381	Clinical (unspecified phase)

Structure

CID171928 OpenBabel06191715542D 26 31 0 0 1 0 0 0 0 0999 V2000 2.0959 3.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0679 3.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -1.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2676 2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5942 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8359 0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8436 2.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8114 2.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8321 -0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6957 2.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7031 0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8419 1.4603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8496 1.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6398 3.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2872 -1.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2396 2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3863 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 2.4374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8556 0.4940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0077 2.9314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6113 3.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1808 -1.5298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 2.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8773 -1.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 11 1 0 0 0 0 2 4 2 0 0 0 0 2 12 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 5 11 2 0 0 0 0 5 17 1 0 0 0 0 6 12 2 0 0 0 0 6 18 1 0 0 0 0 7 22 1 0 0 0 0 8 21 1 0 0 0 0 9 23 1 0 0 0 0 9 25 1 0 0 0 0 10 24 1 0 0 0 0 10 26 1 0 0 0 0 13 7 1 1 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 8 1 1 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 16 18 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 19 11 1 6 0 0 0 19 21 1 0 0 0 0 20 12 1 6 0 0 0 20 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	72307
ChEMBL	CHEMBL252915
ZINC

Physicochemical Properties

Molecular Weight:	354.11
ALogP:	-1.6034
MLogP:	3
XLogP:	2.576
# Rotatable Bonds:	2
Polar Surface Area:	55.38
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	6
# Heavy Atoms:	26

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