NPASS Natural Product

Natural Product: NPC27765

Natural Product ID:	NPC27765
Common Name:	Alpha-Amyrin
IUPAC Name:	(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
Synonyms:	Alpha-Amyrin
Molecular Formula:	C30H50O
Standard InCHIKey:	FSLPMRQHCOLESF-SFMCKYFRSA-N
Standard InCHI:	InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
Canonical SMILES:	C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)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
NPO10021	Nerium oleander	Species	Apocynaceae	Eukaryota	Leaves	Niigata City, Niigata Province, Japan	2000-NOV	PMID[15730243]
NPO29653	Hippophae fructus	Species	Elaeagnaceae	Eukaryota				TCMSP*
NPO10021	Nerium oleander	Species	Apocynaceae	Eukaryota				UNPD*
NPO15823	Maytenus buxifolia	Species	Celastraceae	Eukaryota				UNPD*
NPO10783	Syncarpia hillii	Species	Myrtaceae	Eukaryota				UNPD*
NPO28293	Aegilops geniculata	Species	Poaceae	Eukaryota				UNPD*
NPO3287	Hymenoxys scaposa	Species	Asteraceae	Eukaryota				UNPD*
NPO8585	Verpa digitaliformis	Species	Morchellaceae	Eukaryota				UNPD*
NPO14756	Ilex goshiensis	Species	Aquifoliaceae	Eukaryota				UNPD*
NPO18958	Podolepis longipedata	Species	Asteraceae	Eukaryota				UNPD*
NPO29510	Aulacocephalus temmincki	Species	Serranidae	Eukaryota				UNPD*
NPO4789	Adiantum caudatum	Species	Pteridaceae	Eukaryota				UNPD*
NPO29536	Cichorii radix	NA	NA	NA				TCMSP*
NPO7080	Monascus purpureus	Species	Aspergillaceae	Eukaryota				UNPD*
NPO21736	Abies nobilis	Species	Pinaceae	Eukaryota				UNPD*
NPO16631	Libocedrus yateensis	Species	Cupressaceae	Eukaryota				UNPD*
NPO20184	Streptomyces misawanensis	Species	Streptomycetaceae	Bacteria				UNPD*
NPO19872	Achillea magnifica	Species	Asteraceae	Eukaryota				UNPD*
NPO13071	Sindora wallichii	Species	Fabaceae	Eukaryota				UNPD*
NPO2126	Asterias forbesi	Species	Asteriidae	Eukaryota				UNPD*
NPO2995	Rhododendron formosanum	Species	Ericaceae	Eukaryota				UNPD*
NPO20536	Salvia nubicola	Species	Lamiaceae	Eukaryota				UNPD*
NPO12121	Streptomyces naraensis	Species	Streptomycetaceae	Bacteria				UNPD*
NPO29621	Portulacae herba	NA	NA	NA				TCMSP*
NPO4518.1	Saccharothrix mutabilis subsp. capreolus	Subspecies	Pseudonocardiaceae	Bacteria				UNPD*
NPO18044	Lotus albus	Species	Fabaceae	Eukaryota				UNPD*
NPO13248	Pistacia mexicana	Species	Anacardiaceae	Eukaryota				UNPD*
NPO19219	Inga paterno	Species	Fabaceae	Eukaryota				UNPD*
NPO20132	Scutellaria seleriana	Species	Lamiaceae	Eukaryota				UNPD*
NPO3664	Mesembryanthemum anatomicum	Species	Aizoaceae	Eukaryota				UNPD*
NPO539	Picea vulgaris	Species	Pinaceae	Eukaryota				UNPD*
NPO12897	Dolichospermum viguieri	Species	Aphanizomenonaceae	Bacteria				UNPD*
NPO25981	Crinipellis scabella	Species	Marasmiaceae	Eukaryota				UNPD*
NPO18903	Chromodoris willani	Species	Chromodorididae	Eukaryota				UNPD*
NPO5930	Crambe tatarica	Species	Brassicaceae	Eukaryota				UNPD*
NPO1963	Ilicis cornutae folium immayuri	NA	NA	NA				TCMSP*
NPO28824	Forsteronia refracta	Species	Apocynaceae	Eukaryota				UNPD*
NPO19921	Polyphaga sinensis	Species	NA	Eukaryota				UNPD*
NPO17048	Jungermannia subulata	Species	Jungermanniaceae	Eukaryota				UNPD*
NPO8062	Phlomoides hamosa	Species	Lamiaceae	Eukaryota				UNPD*
NPO13818	Narcissus concolor	Species	Amaryllidaceae	Eukaryota				UNPD*
NPO27269	Annona impressivenia	Species	Annonaceae	Eukaryota				UNPD*
NPO2790	Anthopleura elegantissima	Species	Actiniidae	Eukaryota				UNPD*
NPO28189	Metzgeria pubescens	Species	Metzgeriaceae	Eukaryota				UNPD*
NPO8037	Bryum rutilans	Species	Bryaceae	Eukaryota				UNPD*
NPO18214	Spilanthes ocymifolia	Species	Asteraceae	Eukaryota				UNPD*
NPO6360	Xenoacremonium recifei	Species	Nectriaceae	Eukaryota				UNPD*
NPO448	Millettia usaramensis	Species	Fabaceae	Eukaryota				UNPD*
NPO18571	Drypetes roxburghii	Species	Putranjivaceae	Eukaryota				UNPD*
NPO13478	Scorzonera pseudodivaricata	Species	Asteraceae	Eukaryota				UNPD*
NPO18024	Acacia pruinosa	Species	Fabaceae	Eukaryota				UNPD*
NPO22323	Pinus picea	Species	Pinaceae	Eukaryota				UNPD*
NPO25853	Sideritis argosphacelus	Species	Lamiaceae	Eukaryota				UNPD*
NPO13671	Ononis vaginalis	Species	Fabaceae	Eukaryota				UNPD*
NPO21505	Calea megacephala	Species	Asteraceae	Eukaryota				UNPD*
NPO7097	Rhynchosporium orthosporum	Species	NA	Eukaryota				UNPD*
NPO26712	Cladrastis kentukea	Species	Fabaceae	Eukaryota				UNPD*
NPO18206	Centaurea horrida	Species	Asteraceae	Eukaryota				UNPD*
NPO7865	Scapania nemorea	Species	Scapaniaceae	Eukaryota				UNPD*
NPO14923	Mollinedia costaricensis	Species	Monimiaceae	Eukaryota				UNPD*
NPO11708	Cyathus helenae	Species	Nidulariaceae	Eukaryota				UNPD*
NPO14253	Bothriocline longipes	Species	Asteraceae	Eukaryota				UNPD*
NPO1071	Parerythropodium fulvum	NA	NA	NA				UNPD*
NPO2190	Persicaria filiformis	Species	Polygonaceae	Eukaryota				UNPD*
NPO6776	Trifolium apertum	Species	Fabaceae	Eukaryota				UNPD*
NPO4082	Ophiarthrum elegans	Species	Ophiocomidae	Eukaryota				UNPD*
NPO7132	Smilax glabra	Species	Smilacaceae	Eukaryota				UNPD*
NPO11814	Asphodeline tenuior	Species	Asphodelaceae	Eukaryota				UNPD*
NPO15166	Cephalotaxus hainanensis	Species	Taxaceae	Eukaryota				UNPD*
NPO1308	Veronica pectinata	Species	Plantaginaceae	Eukaryota				UNPD*
NPO20678	Grindelia nana	Species	Asteraceae	Eukaryota				UNPD*
NPO26266	Isodon japonicus	Species	Lamiaceae	Eukaryota				UNPD*
NPO28805	Thymus piperella	Species	Lamiaceae	Eukaryota				UNPD*
NPO1245	Eunicella cavolinii	Species	Gorgoniidae	Eukaryota				UNPD*
NPO12796	Periploca sepium	Species	Apocynaceae	Eukaryota				TCM_Taiwan*
NPO24071	Girgensohnia diptera	Species	Chenopodiaceae	Eukaryota				UNPD*
NPO22188	Piper aequale	Species	Piperaceae	Eukaryota				UNPD*
NPO1834	Atalantia racemosa	Species	Rutaceae	Eukaryota				UNPD*
NPO5514	Anaptychia speciosa	Species	Physciaceae	Eukaryota				UNPD*
NPO6429	Phlomis regelii	Species	Lamiaceae	Eukaryota				UNPD*
NPO17108	Lecanora lividocinerea	Species	Lecanoraceae	Eukaryota				UNPD*
NPO23135	Formica fusca	Species	Formicidae	Eukaryota				UNPD*
NPO20070	Crinum stuhlmannii	Species	Amaryllidaceae	Eukaryota				UNPD*
NPO21798	Dacrydium biforme	Species	Mytilidae	Eukaryota				UNPD*
NPO11853	Eucalyptus froggattii	Species	Myrtaceae	Eukaryota				UNPD*
NPO15361	Alnus japonica	Species	Betulaceae	Eukaryota				TCM_Taiwan*
NPO319	Citrus limon	Species	Rutaceae	Eukaryota				UNPD*
NPO3265	Echinops kebericho	Species	Asteraceae	Eukaryota				UNPD*
NPO8432	Haminoea orbignyana	Species	Haminoeidae	Eukaryota				UNPD*
NPO6367	Cortinarius viola	Species	Cortinariaceae	Eukaryota				UNPD*
NPO5980	Eria subsessilis	Species	Orchidaceae	Eukaryota				UNPD*
NPO3974	Ferula gummosa	Species	Apiaceae	Eukaryota				UNPD*
NPO5469	Pseudoxandra sclerocarpa	Species	Annonaceae	Eukaryota				UNPD*
NPO6824	Streptomyces collinus	Species	Streptomycetaceae	Bacteria				UNPD*
NPO14394	Hakea saligna	Species	Proteaceae	Eukaryota				UNPD*
NPO5591	Fucus spiralis	Species	Fucaceae	Eukaryota				UNPD*
NPO18619	Echinops ritro	Species	Asteraceae	Eukaryota				TCM_Taiwan*
NPO6815	Streptomyces sclerotialus	Species	Streptomycetaceae	Bacteria				UNPD*
NPO28971	Bersama yangambiensis	Species	Melianthaceae	Eukaryota				UNPD*
NPO14062	Oophaga speciosa	Species	Dendrobatidae	Eukaryota				UNPD*
NPO1778	Corydalis claviculata	Species	Papaveraceae	Eukaryota				UNPD*
NPO11151	Arnebia decumbens	Species	Boraginaceae	Eukaryota				UNPD*
NPO18275	Struthiopteris amabilis	Species	Blechnaceae	Eukaryota				UNPD*
NPO18873.1	Salmonella enterica subsp. enterica serovar anatum	Subspecies	Enterobacteriaceae	Bacteria				UNPD*
NPO18316	Vernonia echitifolia	Species	Asteraceae	Eukaryota				UNPD*
NPO29127	Cystophora scalaris	Species	Sargassaceae	Eukaryota				UNPD*
NPO21998	Corydalis cornuta	Species	Papaveraceae	Eukaryota				UNPD*
NPO18853	Alstonia scholaris	Species	Apocynaceae	Eukaryota				TCM_Taiwan*
NPO29530	Kaempferia marginata	Species	Zingiberaceae	Eukaryota				UNPD*
NPO11441	Barbacenia flava	Species	Velloziaceae	Eukaryota				UNPD*
NPO12196	Buphane fischeri	NA	NA	NA				UNPD*
NPO8840	Ptilidium ciliare	Species	Ptilidiaceae	Eukaryota				UNPD*
NPO21129	Asterias glacialis	Species	Asteriidae	Eukaryota				UNPD*
NPO20274	Cynanchum formosanum	Species	Apocynaceae	Eukaryota				UNPD*
NPO15583	Tripodanthus acutifolius	Species	Loranthaceae	Eukaryota				UNPD*
NPO23057	Primula hirsuta	Species	Primulaceae	Eukaryota				UNPD*
NPO29154	Heliotropium floridum	Species	Heliotropiaceae	Eukaryota				UNPD*
NPO9533	Pterocaulon polystachyum	Species	Asteraceae	Eukaryota				UNPD*
NPO13123	Balanophora harlandii	Species	Balanophoraceae	Eukaryota				UNPD*
NPO12539	Lissoclinum japonicum	Species	Didemnidae	Eukaryota				UNPD*
NPO22994	Cordyline indivisa	Species	Asparagaceae	Eukaryota				UNPD*
NPO22454	Picris radicata	Species	Asteraceae	Eukaryota				UNPD*
NPO29189	Castanopsis sclerophylla	Species	Fagaceae	Eukaryota				UNPD*
NPO11999	Piptadenia peregrina	Species	Fabaceae	Eukaryota				UNPD*
NPO29446	Stevia polycephala	Species	Asteraceae	Eukaryota				UNPD*
NPO29242	Salvia dorrii	Species	Lamiaceae	Eukaryota				UNPD*
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota				UNPD*
NPO1607	Croton rhamnifolius	Species	Euphorbiaceae	Eukaryota				UNPD*
NPO6630	Cetraria pinastri	Species	Parmeliaceae	Eukaryota				UNPD*
NPO20096	Cirsium japonicum	Species	Asteraceae	Eukaryota				TCM_Taiwan*
NPO22582	Smenospongia echina	Species	Thorectidae	Eukaryota				UNPD*
NPO715	Teucrium pestalozzae	Species	Lamiaceae	Eukaryota				UNPD*
NPO4095	Hedysarum multijugum	Species	Fabaceae	Eukaryota				UNPD*
NPO10492	Artemisia montana	Species	Asteraceae	Eukaryota				UNPD*
NPO28949	Croton cumingii	Species	Euphorbiaceae	Eukaryota				UNPD*
NPO16027	Niphogeton ternata	Species	Apiaceae	Eukaryota				UNPD*
NPO8214	Stylotrichium rotundifolium	Species	Asteraceae	Eukaryota				UNPD*
NPO28784	Alseodaphne corneri	Species	Lauraceae	Eukaryota				UNPD*
NPO4253	Viguiera annua	Species	Asteraceae	Eukaryota				UNPD*
NPO18434	Dactylosporangium aurantiacum	Species	Micromonosporaceae	Bacteria				UNPD*
NPO29363	Aconitum nevadense	Species	Ranunculaceae	Eukaryota				UNPD*
NPO16942	Asparagus thunbergianus	Species	Asparagaceae	Eukaryota				UNPD*
NPO26138	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota				TCM_Taiwan*
NPO5820	Phegopteris subaurita	Species	Thelypteridaceae	Eukaryota				UNPD*
NPO17488	Rhoiptelea chiliantha	Species	Juglandaceae	Eukaryota				UNPD*
NPO7042	Myrica arborea	Species	Myricaceae	Eukaryota				UNPD*
NPO22762	Eremophila serrulata	Species	Scrophulariaceae	Eukaryota				UNPD*
NPO26583	Oxytropis myriophylla	Species	Fabaceae	Eukaryota				UNPD*
NPO11487	Senecio madagascariensis	Species	Asteraceae	Eukaryota				UNPD*
NPO21298	Leucanthemum maximum	Species	Asteraceae	Eukaryota				UNPD*
NPO29344	Parabenzoin trilobum	NA	NA	NA				UNPD*
NPO7801	Smilax myosotiflora	Species	Smilacaceae	Eukaryota				UNPD*
NPO11683	Crotalaria mitchellii	Species	Fabaceae	Eukaryota				UNPD*
NPO18366	Papaver commutatum	Species	Papaveraceae	Eukaryota				UNPD*
NPO21875	Persea indica	Species	Lauraceae	Eukaryota				UNPD*
NPO9865	Cichorium intybus	Species	Asteraceae	Eukaryota				UNPD*
NPO27725	Artemisia vestita	Species	Asteraceae	Eukaryota				TCM_Taiwan*
NPO14578	Prorocentrum micans	Species	Prorocentraceae	Eukaryota				UNPD*
NPO11152	Neolitsea dealbata	Species	Lauraceae	Eukaryota				UNPD*
NPO2161	Strychnos ledermannii	Species	Loganiaceae	Eukaryota				UNPD*
NPO245	Euphorbia biglandulosa	Species	Euphorbiaceae	Eukaryota				UNPD*
NPO22940	Delphinium campylocentrum	Species	Ranunculaceae	Eukaryota				UNPD*
NPO12993	Polypodium vulgare	Species	Polypodiaceae	Eukaryota				UNPD*
NPO11287	Sideritis lotsyi	Species	Lamiaceae	Eukaryota				UNPD*
NPO15548	Sinularia leptoclados	Species	Alcyoniidae	Eukaryota				UNPD*
NPO11505	Nigella aristata	Species	Ranunculaceae	Eukaryota				UNPD*
NPO2028	Campsis grandiflora	Species	Bignoniaceae	Eukaryota				TCMID*
NPO28918	Ophiolepis superba	Species	Ophiolepididae	Eukaryota				UNPD*
NPO28276	Artemisia argyi	Species	Asteraceae	Eukaryota				TCM_Taiwan*
NPO5068	Hyrtios eubamma	Species	Thorectidae	Eukaryota				UNPD*
NPO14318	Lespedeza davidii	Species	Fabaceae	Eukaryota				UNPD*
NPO19074	Buddleja variabilis	Species	Scrophulariaceae	Eukaryota				UNPD*
NPO11593	Teucrium leucocladum	Species	Lamiaceae	Eukaryota				UNPD*
NPO22710	Acrocomia sclerocarpa	Species	Arecaceae	Eukaryota				UNPD*
NPO22123	Disepalum plagioneurum	Species	Annonaceae	Eukaryota				UNPD*
NPO3936	Malva sylvestris	Species	Malvaceae	Eukaryota				UNPD*
NPO21399	Diaphus suborbitalis	Species	Myctophidae	Eukaryota				UNPD*
NPO21373	Vitex trifolia	Species	Lamiaceae	Eukaryota				UNPD*
NPO17785	Avrainvillea nigricans	Species	Udoteaceae	Eukaryota				UNPD*
NPO31026	Myrica rubra	Species	Myricaceae	Eukaryota				TCM_Taiwan*
NPO2398	Millettia erythrocalyx	Species	Fabaceae	Eukaryota				UNPD*
NPO13764	Dolichandrone crispa	Species	Bignoniaceae	Eukaryota				UNPD*
NPO3492	Negombata magnifica	Species	Latrunculiidae	Eukaryota				UNPD*
NPO19643	Dendrodoris krebsii	Species	Dendrodorididae	Eukaryota				UNPD*
NPO11848	Lemaireocereus griseus	Species	Cactaceae	Eukaryota				UNPD*
NPO2027	Jaborosa caulescens	Species	Solanaceae	Eukaryota				UNPD*
NPO29694	Mori cortex	NA	NA	NA				TCMSP*
NPO29068	Papilio phorcas	Species	Papilionidae	Eukaryota				UNPD*
NPO191	Amaranthus hybr	Species	Amaranthaceae	Eukaryota				UNPD*
NPO17168	Ageratina riparia	Species	Asteraceae	Eukaryota				UNPD*
NPO403	Gentiana lutea	Species	Gentianaceae	Eukaryota				TCM_Taiwan*
NPO7893	Xanthoparmelia camtschadalis	Species	Parmeliaceae	Eukaryota				UNPD*
NPO17264	Mycena haematopus	Species	Tricholomataceae	Eukaryota				UNPD*
NPO29531	Lupinus cosentinii	Species	Fabaceae	Eukaryota				UNPD*
NPO21454	Iodes cirrhosa	Species	Icacinaceae	Eukaryota				UNPD*
NPO6152	Ctenodiscus crispatus	Species	Ctenodiscidae	Eukaryota				UNPD*
NPO19668	Euphorbia characias	Species	Euphorbiaceae	Eukaryota				UNPD*
NPO6511	Strychni semen	NA	NA	NA				TCMSP*
NPO19694	Senecio scandens	Species	Asteraceae	Eukaryota				UNPD*
NPO13320	Glycosmis puberula	Species	Rutaceae	Eukaryota				UNPD*
NPO13892	Calea clausseniana	Species	Asteraceae	Eukaryota				UNPD*
NPO4307	Canarium album	Species	Burseraceae	Eukaryota				TCM_Taiwan*
NPO22084	Stypandra imbricata	Species	Asphodelaceae	Eukaryota				UNPD*
NPO14247	Melaleuca uncinata	Species	Myrtaceae	Eukaryota				UNPD*
NPO14191	Berkheya rhapontica	Species	Asteraceae	Eukaryota				UNPD*
NPO8472	Knightia deplanchei	Species	Proteaceae	Eukaryota				UNPD*
NPO26192	Cordylanthus kingii	Species	Orobanchaceae	Eukaryota				UNPD*
NPO17933	Cylicodaphne sebifera	NA	NA	NA				UNPD*
NPO6212	Myrrha	Species	Coccinellidae	Eukaryota				TCMSP*
NPO29004	Ruta pinnata	Species	Rutaceae	Eukaryota				UNPD*
NPO1048	Ajuga reptans	Species	Lamiaceae	Eukaryota				UNPD*
NPO351	Cirsium dipsacolepis	Species	Asteraceae	Eukaryota				UNPD*
NPO9865	Cichorium intybus	Species	Asteraceae	Eukaryota				TCM_Taiwan*
NPO13030	Artemisia dentata	Species	Asteraceae	Eukaryota				UNPD*
NPO13325	Plantago lanceolata	Species	Plantaginaceae	Eukaryota				UNPD*
NPO11238	Ocotea suaveolens	Species	Lauraceae	Eukaryota				UNPD*
NPO29415	Hovenia acerba	Species	Rhamnaceae	Eukaryota				UNPD*
NPO7886	Eria tomentosa	Species	Orchidaceae	Eukaryota				UNPD*
NPO513	Agathosma scaberula	Species	Rutaceae	Eukaryota				UNPD*
NPO2342	Cytisus scoparius	Species	Fabaceae	Eukaryota				UNPD*
NPO29626	Foeniculi fructus	NA	NA	NA				TCMSP*
NPO6199	Rhododendron macrophyllum	Species	Ericaceae	Eukaryota				UNPD*
NPO4699	Dracaena ombet	Species	Asparagaceae	Eukaryota				UNPD*
NPO3744	Polycephalomyces nipponicus	Species	Ophiocordycipitaceae	Eukaryota				UNPD*
NPO18212	Rhododendron ferrugineum	Species	Ericaceae	Eukaryota				UNPD*
NPO4892	Viburnum davidii	Species	Adoxaceae	Eukaryota				UNPD*
NPO29381	Trichilia rubescens	Species	Meliaceae	Eukaryota				UNPD*
NPO4503	Bryonopsis laciniosa	NA	NA	NA				UNPD*
NPO21331	Syzygium samarangense	Species	Myrtaceae	Eukaryota				UNPD*
NPO28845	Eragrostis viscosa	Species	Poaceae	Eukaryota				UNPD*
NPO27743	Aaptos aaptos	Species	Suberitidae	Eukaryota				UNPD*
NPO23178	Jasminum grandiflorum	Species	Oleaceae	Eukaryota				UNPD*
NPO1027	Scrophularia leucoclada	Species	Scrophulariaceae	Eukaryota				UNPD*
NPO15088	Cortex periplocae radicis	NA	NA	NA				TCMSP*
NPO18895	Eucalyptus exserta	Species	Myrtaceae	Eukaryota				UNPD*
NPO21513	Astilbe myriantha	Species	Saxifragaceae	Eukaryota				UNPD*
NPO11017	Silene fortunei	Species	Caryophyllaceae	Eukaryota				UNPD*
NPO252	Hoffmannia strigillosa	Species	Rubiaceae	Eukaryota				UNPD*
NPO20954	Haloxylon salicornicum	Species	Chenopodiaceae	Eukaryota				UNPD*
NPO14477	Comamonas testosteroni	Species	Comamonadaceae	Bacteria				UNPD*
NPO12347	Pseudomonas syringae	Species	Pseudomonadaceae	Bacteria				UNPD*
NPO14791	Briareum violacea	Species	Briareidae	Eukaryota				UNPD*
NPO29314	Mangifera indica	Species	Anacardiaceae	Eukaryota				UNPD*
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota				UNPD*
NPO7163	Atractylis japonica	Species	Asteraceae	Eukaryota				UNPD*
NPO29539	Sedi herba	NA	NA	NA				TCMSP*
NPO22819	Rodgersia podophylla	Species	Saxifragaceae	Eukaryota				UNPD*
NPO29450	Streptomyces parvisporogenes	Species	Streptomycetaceae	Bacteria				UNPD*
NPO18228	Cycas beddomei	Species	Cycadaceae	Eukaryota				UNPD*
NPO20444	Corticium caeruleum	Species	Plakinidae	Eukaryota				UNPD*
NPO5158	Cecropia pachystachya	Species	Urticaceae	Eukaryota				UNPD*
NPO12700	Diospyros eriantha	Species	Ebenaceae	Eukaryota				UNPD*
NPO13164	Iris hoogiana	Species	Iridaceae	Eukaryota				UNPD*
NPO23218	Viscum coloratum	Species	Viscaceae	Eukaryota				UNPD*
NPO8392	Iryanthera polyneura	Species	Myristicaceae	Eukaryota				UNPD*
NPO3127	Aralia continentalis	Species	Araliaceae	Eukaryota				UNPD*
NPO5446	Campsis flos	Species	Bignoniaceae	Eukaryota				TCMSP*
NPO3867	Smallanthus glabratus	Species	Asteraceae	Eukaryota				UNPD*
NPO22062	Leptothorax acervorum	Species	Formicidae	Eukaryota				UNPD*
NPO14864	Clerodendrum cyrtophyllum	Species	Lamiaceae	Eukaryota				UNPD*
NPO28898	Grewia mollis	Species	Malvaceae	Eukaryota				UNPD*
NPO9934	Mycobacterium leprae	Species	Mycobacteriaceae	Bacteria				UNPD*
NPO3808	Elaeagnus angustifolia	Species	Elaeagnaceae	Eukaryota				UNPD*
NPO2747	Hypericum triquetrifolium	Species	Hypericaceae	Eukaryota				UNPD*
NPO29142	Kaunia saltensis	Species	Asteraceae	Eukaryota				UNPD*
NPO29047	Disynaphia halimifolia	Species	Asteraceae	Eukaryota				UNPD*
NPO8955	Gentiana macrophylla pall	Species	Gentianaceae	Eukaryota				TCMSP*
NPO15592	Swertia punctata	Species	Gentianaceae	Eukaryota				UNPD*
NPO2066	Streptomyces ipomoeae	Species	Streptomycetaceae	Bacteria				UNPD*
NPO15066	Iridaea membranacea	Species	Gigartinaceae	Eukaryota				UNPD*
NPO20393	Hypolepis punctata	Species	Dennstaedtiaceae	Eukaryota				UNPD*
NPO11985	Glycyrrhiza triphylla	Species	Fabaceae	Eukaryota				UNPD*
NPO29292	Teucrium depressum	Species	Lamiaceae	Eukaryota				UNPD*
NPO26959	Micromelum minutum	Species	Rutaceae	Eukaryota				UNPD*
NPO5952	Phegopteris bukoensis	Species	Thelypteridaceae	Eukaryota				UNPD*
NPO7166	Streptomyces aureus	Species	Streptomycetaceae	Bacteria				UNPD*
NPO6377	Cocculus diversifolius	Species	Menispermaceae	Eukaryota				UNPD*
NPO29537	Canarii fructus	NA	NA	NA				TCMSP*
NPO21636	Didemnum inarmatum	Species	Didemnidae	Eukaryota				UNPD*
NPO16421	Chalciporus piperatus	Species	Boletaceae	Eukaryota				UNPD*
NPO13159	Sauropus quadrangularis	Species	Phyllanthaceae	Eukaryota				UNPD*
NPO426	Camellia reticulata	Species	Theaceae	Eukaryota				UNPD*
NPO5062	Aristolochia tagala	Species	Aristolochiaceae	Eukaryota				UNPD*
NPO11003	Euphorbia sancta	Species	Euphorbiaceae	Eukaryota				UNPD*
NPO6520	Myrica multiflora	Species	Myricaceae	Eukaryota				UNPD*
NPO29203	Gymnocarpium robertianum	Species	Cystopteridaceae	Eukaryota				UNPD*
NPO11159	Isoplexis chalcantha	Species	Plantaginaceae	Eukaryota				UNPD*
NPO26439	Folium artemisiae argyi	NA	NA	NA				TCMSP*
NPO22248	Alkanna hirsutissima	Species	Boraginaceae	Eukaryota				UNPD*
NPO21113	Coronophora gregaria	Species	Nitschkiaceae	Eukaryota				UNPD*
NPO150	Echinops niveus	Species	Asteraceae	Eukaryota				UNPD*
NPO29225	Oncoba echinata	Species	Salicaceae	Eukaryota				UNPD*
NPO17549	Polemonium caeruleum	Species	Polemoniaceae	Eukaryota				UNPD*
NPO597	Coprosma australis	Species	Rubiaceae	Eukaryota				UNPD*
NPO7510	Ixora chinensis	Species	Rubiaceae	Eukaryota				UNPD*
NPO13728	Metanarthecium luteoviride	Species	Nartheciaceae	Eukaryota				UNPD*
NPO22133	Durio zibethinus	Species	Malvaceae	Eukaryota				UNPD*
NPO28563	Potentillae chinensis herba	NA	NA	NA				TCMSP*
NPO10547	Dryopteris crenata	Species	Dryopteridaceae	Eukaryota				UNPD*
NPO16146	Osmundaria colensoi	Species	Rhodomelaceae	Eukaryota				UNPD*
NPO20043	Vallaris solanacea	Species	Apocynaceae	Eukaryota				UNPD*
NPO24390.1	Juniperus rigida var. conferta	Varieties	Cupressaceae	Eukaryota				UNPD*
NPO6988	Diploschistes cretaceus	Species	Graphidaceae	Eukaryota				UNPD*
NPO12933	Gymnadenia conopsea	Species	Orchidaceae	Eukaryota				UNPD*
NPO21046	Verbena triphylla	Species	Verbenaceae	Eukaryota				UNPD*
NPO20360	Mentha pulegiformis	Species	Lamiaceae	Eukaryota				UNPD*
NPO14989	Acanthothamnus aphyllus	Species	Celastraceae	Eukaryota				UNPD*
NPO4244	Doodia picta	Species	Blechnaceae	Eukaryota				UNPD*
NPO21830	Buddleja cordata	Species	Scrophulariaceae	Eukaryota				UNPD*
NPO29488	Sophora angustifolia	Species	Fabaceae	Eukaryota				UNPD*
NPO12588	Cornus officinalis	Species	Cornaceae	Eukaryota				TCMSP*
NPO12046	Peucedanum longifolium	Species	Apiaceae	Eukaryota				UNPD*
NPO12616	Swertia corymbosa	Species	Gentianaceae	Eukaryota				UNPD*
NPO29400	Conocephalum japonicum	Species	Conocephalaceae	Eukaryota				UNPD*
NPO19742	Pluchea lanceolata	Species	Asteraceae	Eukaryota				UNPD*
NPO9313	Fritillaria ningguoensis	Species	Liliaceae	Eukaryota				UNPD*
NPO13549	Otanthus maritimus	Species	Asteraceae	Eukaryota				UNPD*
NPO4055	Aspergillus unguis	Species	Aspergillaceae	Eukaryota				UNPD*
NPO8928	Pteris semipinnata	Species	Pteridaceae	Eukaryota				UNPD*
NPO13639	Smilax macrophylla	Species	Staphylinidae	Eukaryota				UNPD*
NPO13574	Phaleria cumingii	Species	Tenebrionidae	Eukaryota				UNPD*
NPO24143	Fructuslipuidambaris	NA	NA	NA				TCMSP*
NPO12855	Alkanna cappadocica	Species	Boraginaceae	Eukaryota				UNPD*
NPO3052	Shorea resina-nigra	Species	Dipterocarpaceae	Eukaryota				UNPD*
NPO9734	Vincetoxicum hirundinaria	Species	Apocynaceae	Eukaryota				UNPD*
NPO13585	Rapanea lancifolia	Species	Primulaceae	Eukaryota				UNPD*
NPO6974	Solanum racemigerum	Species	Solanaceae	Eukaryota				UNPD*
NPO3169	Guarea guidonia	Species	Meliaceae	Eukaryota				UNPD*
NPO15832	Ruscus hypophyllum	Species	Asparagaceae	Eukaryota				UNPD*
NPO28864	Nauclea officinalis	Species	Rubiaceae	Eukaryota				UNPD*
NPO19744	Arnica foliosa	Species	Asteraceae	Eukaryota				UNPD*
NPO3497	Pestalotiopsis virgatula	Species	Sporocadaceae	Eukaryota				UNPD*
NPO5197	Streptomyces eurythermus	Species	Streptomycetaceae	Bacteria				UNPD*
NPO28934	Gentianae radix et rhozima	NA	NA	NA				TCMSP*
NPO3146	Ammodendron conollyi	Species	Fabaceae	Eukaryota				UNPD*
NPO15580	Justicia simplex	Species	Acanthaceae	Eukaryota				UNPD*
NPO2518	Crinum kirkii	Species	Amaryllidaceae	Eukaryota				UNPD*
NPO4971	Alnus firma	Species	Betulaceae	Eukaryota				UNPD*
NPO2361	Aconitum brevicalcaratum	Species	Ranunculaceae	Eukaryota				UNPD*
NPO29276	Juglans nigra	Species	Juglandaceae	Eukaryota				UNPD*
NPO20808	Halopitys incurvus	NA	NA	NA				UNPD*
NPO9157	Rubrivivax gelatinosus	Species	NA	Bacteria				UNPD*
NPO21247	Nephroma australe	Species	Nephromataceae	Eukaryota				UNPD*
NPO10952	Camelina sativa	Species	Brassicaceae	Eukaryota				UNPD*
NPO8768	Koompassia malaccensis	Species	Fabaceae	Eukaryota				UNPD*
NPO1584	Tolypothrix tjipanasensis	Species	Tolypothrichaceae	Bacteria				UNPD*
NPO29669	Phyllanthi fructus	NA	NA	NA				TCMSP*
NPO9338	Polygala aureocauda	Species	Polygalaceae	Eukaryota				UNPD*
NPO3724	Amomum neoaurantiacum	Species	Zingiberaceae	Eukaryota				TCMSP*
NPO20056	Pinus monophylla	Species	Pinaceae	Eukaryota				UNPD*
NPO12225	Amsinckia menziesii	Species	Boraginaceae	Eukaryota				UNPD*
NPO28937	Heterotheca grandiflora	Species	Asteraceae	Eukaryota				UNPD*
NPO9377	Ormosia elata	Species	Limoniidae	Eukaryota				UNPD*
NPO10210	Artabotrys uncinatus	Species	Annonaceae	Eukaryota				UNPD*
NPO18530	Shigella flexneri	Species	Enterobacteriaceae	Bacteria				UNPD*
NPO3340	Fridericia chica	Species	Bignoniaceae	Eukaryota				UNPD*
NPO11050	Cladonia amaurocraea	Species	Cladoniaceae	Eukaryota				UNPD*
NPO18276	Uvaria kirkii	Species	Annonaceae	Eukaryota				UNPD*
NPO19962	Laetiporus versisporus	Species	Coriolaceae	Eukaryota				UNPD*

Biological Activity

Activity Type	# Activity
EC50	2
ED50	1
GI50	3
IC50	8
Others	6

Activity Type	# Activity
Cell Line	8
Individual Protein	6
Organism	4
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT471	Organism	Trypanosoma brucei brucei	Trypanosoma brucei brucei	IC50	=	114500	nM	17637068
NPT1886	Cell Line	J774	Mus musculus	IC50	=	128500	nM	17637068
NPT2	Others	Unspecified		Ratio IC50	=	1.1		17637068
NPT179	Cell Line	A2780	Homo sapiens	IC50	=	20.6	ug/ml	15165160
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	8.12	%	18947904
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	13.9	%	18947904
NPT319	Cell Line	B16	Mus musculus	ED50	>	0.05	nM	12027734
NPT319	Cell Line	B16	Mus musculus	IC50	=	50000	nM	12027734
NPT1475	Cell Line	WI-38 VA13	Homo sapiens	IC50	>	235000	nM	15730243
NPT2	Others	Unspecified		IC50	=	220000	nM	15730243
NPT745	Individual Protein	G-protein coupled bile acid receptor 1	Homo sapiens	EC50	>	10000	nM	19911773
NPT540	Individual Protein	Bile acid receptor FXR	Homo sapiens	EC50	=	0	nM	19911773
NPT81	Cell Line	A549	Homo sapiens	GI50	=	10540	nM	20371180
NPT1044	Individual Protein	DNA topoisomerase II alpha	Homo sapiens	IC50	>	250000	nM	20371180
NPT143	Individual Protein	DNA topoisomerase I	Homo sapiens	IC50	>	250000	nM	20371180
NPT306	Cell Line	PC-3	Homo sapiens	GI50	=	7660	nM	20371180
NPT461	Cell Line	PANC-1	Homo sapiens	GI50	=	12800	nM	20371180
NPT861	Individual Protein	Isocitrate dehydrogenase [NADP] cytoplasmic	Homo sapiens	Activity	=	112.2	%	26508549
NPT861	Individual Protein	Isocitrate dehydrogenase [NADP] cytoplasmic	Homo sapiens	Activity	=	105.3	%	26508549
NPT1019	Organism	Trichomonas vaginalis	Trichomonas vaginalis	Activity	=	76.1	%	27020521

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 NPC27765 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	113
0.1-0.2	978
0.2-0.3	3989
0.3-0.4	11564
0.4-0.5	6161
0.5-0.6	3744
0.6-0.7	2960
0.7-0.8	958
0.8-0.85	274
0.85-0.9	110
0.9-0.95	13
0.95-1	25

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC290598
1.0	High Similarity	NPC30590
1.0	High Similarity	NPC265328
1.0	High Similarity	NPC122418
1.0	High Similarity	NPC120098
0.9859	High Similarity	NPC157996
0.9859	High Similarity	NPC40394
0.9859	High Similarity	NPC101475
0.9859	High Similarity	NPC34177
0.9857	High Similarity	NPC138374
0.9857	High Similarity	NPC34700
0.9722	High Similarity	NPC196753
0.9722	High Similarity	NPC99168
0.9722	High Similarity	NPC474989
0.9722	High Similarity	NPC158662
0.9722	High Similarity	NPC98386
0.9722	High Similarity	NPC253807
0.9722	High Similarity	NPC22955
0.9722	High Similarity	NPC470396
0.9722	High Similarity	NPC300499
0.9722	High Similarity	NPC230295
0.9718	High Similarity	NPC106364
0.9714	High Similarity	NPC100334
0.9589	High Similarity	NPC291379
0.9589	High Similarity	NPC53744
0.9459	High Similarity	NPC295131
0.9333	High Similarity	NPC242350
0.9315	High Similarity	NPC90979
0.9315	High Similarity	NPC472805
0.9296	High Similarity	NPC182717
0.9211	High Similarity	NPC47763
0.9211	High Similarity	NPC304285
0.9189	High Similarity	NPC72507
0.9155	High Similarity	NPC301226
0.9091	High Similarity	NPC253402
0.9091	High Similarity	NPC159168
0.9079	High Similarity	NPC116202
0.9028	High Similarity	NPC211009
0.8974	High Similarity	NPC238992
0.8919	High Similarity	NPC189883
0.8919	High Similarity	NPC237460
0.8904	High Similarity	NPC477138
0.8904	High Similarity	NPC243342
0.8904	High Similarity	NPC91858
0.8889	High Similarity	NPC110799
0.8889	High Similarity	NPC167706
0.8861	High Similarity	NPC191965
0.8861	High Similarity	NPC133954
0.8846	High Similarity	NPC82538
0.8846	High Similarity	NPC237795
0.88	High Similarity	NPC470758
0.88	High Similarity	NPC471798
0.88	High Similarity	NPC470711
0.8784	High Similarity	NPC141071
0.8784	High Similarity	NPC291503
0.8784	High Similarity	NPC66566
0.8784	High Similarity	NPC257347
0.8784	High Similarity	NPC471723
0.8784	High Similarity	NPC477923
0.8784	High Similarity	NPC144075
0.8767	High Similarity	NPC471799
0.875	High Similarity	NPC137306
0.875	High Similarity	NPC84121
0.875	High Similarity	NPC95594
0.875	High Similarity	NPC475862
0.875	High Similarity	NPC213412
0.875	High Similarity	NPC237344
0.875	High Similarity	NPC74363
0.875	High Similarity	NPC145498
0.875	High Similarity	NPC235341
0.875	High Similarity	NPC477579
0.8732	High Similarity	NPC94192
0.8732	High Similarity	NPC208999
0.8718	High Similarity	NPC248886
0.8684	High Similarity	NPC65897
0.8684	High Similarity	NPC138621
0.8684	High Similarity	NPC167037
0.8684	High Similarity	NPC312328
0.8684	High Similarity	NPC244385
0.8684	High Similarity	NPC285761
0.8684	High Similarity	NPC302041
0.8684	High Similarity	NPC6978
0.8684	High Similarity	NPC85346
0.8667	High Similarity	NPC106432
0.8667	High Similarity	NPC470749
0.8667	High Similarity	NPC240604
0.8667	High Similarity	NPC134330
0.8667	High Similarity	NPC202642
0.8667	High Similarity	NPC46160
0.8667	High Similarity	NPC129165
0.8667	High Similarity	NPC300324
0.8649	High Similarity	NPC192638
0.8649	High Similarity	NPC25511
0.8649	High Similarity	NPC62657
0.8649	High Similarity	NPC471797
0.8642	High Similarity	NPC51700
0.8642	High Similarity	NPC73064
0.8642	High Similarity	NPC293564
0.8642	High Similarity	NPC68160
0.8642	High Similarity	NPC307426
0.8642	High Similarity	NPC242468
0.8642	High Similarity	NPC130577
0.8642	High Similarity	NPC102683
0.8642	High Similarity	NPC18064
0.8642	High Similarity	NPC88716
0.8642	High Similarity	NPC98442
0.8642	High Similarity	NPC171203
0.8642	High Similarity	NPC142415
0.863	High Similarity	NPC242001
0.8592	High Similarity	NPC197805
0.8571	High Similarity	NPC472463
0.8571	High Similarity	NPC1319
0.8571	High Similarity	NPC80530
0.8571	High Similarity	NPC273410
0.8553	High Similarity	NPC91594
0.8553	High Similarity	NPC477924
0.8553	High Similarity	NPC214570
0.8553	High Similarity	NPC130136
0.8537	High Similarity	NPC52169
0.8537	High Similarity	NPC40552
0.8537	High Similarity	NPC181225
0.8537	High Similarity	NPC470629
0.8537	High Similarity	NPC290690
0.8537	High Similarity	NPC182797
0.8537	High Similarity	NPC17733
0.8537	High Similarity	NPC246708
0.8537	High Similarity	NPC473242
0.8537	High Similarity	NPC474512
0.8533	High Similarity	NPC118508
0.8533	High Similarity	NPC162742
0.8533	High Similarity	NPC230301
0.8533	High Similarity	NPC304309
0.8533	High Similarity	NPC288035
0.8533	High Similarity	NPC285893
0.8533	High Similarity	NPC212879
0.8533	High Similarity	NPC22105
0.8533	High Similarity	NPC240235
0.8533	High Similarity	NPC121744
0.8533	High Similarity	NPC104387
0.8533	High Similarity	NPC28657
0.8533	High Similarity	NPC134847
0.8533	High Similarity	NPC231256
0.8533	High Similarity	NPC178383
0.8533	High Similarity	NPC322353
0.8533	High Similarity	NPC136188
0.8519	High Similarity	NPC72638
0.85	High Similarity	NPC209802
0.85	High Similarity	NPC180834
0.8493	Intermediate Similarity	NPC92801
0.8493	Intermediate Similarity	NPC45296
0.8462	Intermediate Similarity	NPC102253
0.8462	Intermediate Similarity	NPC322313
0.8462	Intermediate Similarity	NPC236237
0.8462	Intermediate Similarity	NPC13554
0.8462	Intermediate Similarity	NPC236112
0.8451	Intermediate Similarity	NPC476039
0.8451	Intermediate Similarity	NPC222366
0.8451	Intermediate Similarity	NPC286669
0.8442	Intermediate Similarity	NPC275910
0.8442	Intermediate Similarity	NPC318136
0.8442	Intermediate Similarity	NPC205455
0.8442	Intermediate Similarity	NPC11908
0.8442	Intermediate Similarity	NPC186191
0.8434	Intermediate Similarity	NPC161751
0.8434	Intermediate Similarity	NPC130520
0.8434	Intermediate Similarity	NPC290972
0.8434	Intermediate Similarity	NPC274330
0.8434	Intermediate Similarity	NPC121798
0.8434	Intermediate Similarity	NPC263393
0.8434	Intermediate Similarity	NPC64872
0.8434	Intermediate Similarity	NPC95246
0.8434	Intermediate Similarity	NPC259875
0.8434	Intermediate Similarity	NPC127689
0.8434	Intermediate Similarity	NPC187785
0.8434	Intermediate Similarity	NPC470588
0.8434	Intermediate Similarity	NPC474972
0.8434	Intermediate Similarity	NPC61543
0.8434	Intermediate Similarity	NPC69627
0.8434	Intermediate Similarity	NPC59263
0.8434	Intermediate Similarity	NPC293048
0.8434	Intermediate Similarity	NPC225585
0.8434	Intermediate Similarity	NPC234346
0.8434	Intermediate Similarity	NPC270768
0.8434	Intermediate Similarity	NPC25906
0.8434	Intermediate Similarity	NPC198664
0.8434	Intermediate Similarity	NPC143232
0.8429	Intermediate Similarity	NPC225415
0.8421	Intermediate Similarity	NPC14112
0.8421	Intermediate Similarity	NPC321016
0.8421	Intermediate Similarity	NPC113733
0.8421	Intermediate Similarity	NPC470362
0.8421	Intermediate Similarity	NPC265588
0.8421	Intermediate Similarity	NPC321381
0.8421	Intermediate Similarity	NPC73875
0.8421	Intermediate Similarity	NPC278091
0.8421	Intermediate Similarity	NPC86305
0.8421	Intermediate Similarity	NPC477925
0.8421	Intermediate Similarity	NPC93662
0.8421	Intermediate Similarity	NPC107059
0.8421	Intermediate Similarity	NPC78067

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC27765 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	148
0.1-0.2	1459
0.2-0.3	4172
0.3-0.4	2372
0.4-0.5	589
0.5-0.6	201
0.6-0.7	180
0.7-0.8	34
0.8-0.85	3
0.85-0.9	2
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9589	High Similarity	NPD7645	Phase 2
0.8533	High Similarity	NPD7339	Approved
0.8533	High Similarity	NPD6942	Approved
0.8462	Intermediate Similarity	NPD7525	Registered
0.8235	Intermediate Similarity	NPD7515	Phase 2
0.8182	Intermediate Similarity	NPD3701	Clinical (unspecified phase)
0.7841	Intermediate Similarity	NPD7748	Approved
0.7662	Intermediate Similarity	NPD4243	Approved
0.7647	Intermediate Similarity	NPD3618	Phase 1
0.7619	Intermediate Similarity	NPD4786	Approved
0.759	Intermediate Similarity	NPD3667	Approved
0.7586	Intermediate Similarity	NPD5328	Approved
0.7582	Intermediate Similarity	NPD7902	Approved
0.7529	Intermediate Similarity	NPD7520	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD6924	Approved
0.7468	Intermediate Similarity	NPD4785	Approved
0.7468	Intermediate Similarity	NPD6926	Approved
0.7468	Intermediate Similarity	NPD4784	Approved
0.7436	Intermediate Similarity	NPD7151	Approved
0.7436	Intermediate Similarity	NPD7150	Approved
0.7436	Intermediate Similarity	NPD7152	Approved
0.7416	Intermediate Similarity	NPD6079	Approved
0.7403	Intermediate Similarity	NPD6923	Approved
0.7403	Intermediate Similarity	NPD6922	Approved
0.7375	Intermediate Similarity	NPD8264	Approved
0.7308	Intermediate Similarity	NPD7143	Approved
0.7308	Intermediate Similarity	NPD7144	Approved
0.7284	Intermediate Similarity	NPD6933	Approved
0.7253	Intermediate Similarity	NPD7900	Approved
0.7253	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD3666	Approved
0.7209	Intermediate Similarity	NPD3665	Phase 1
0.7209	Intermediate Similarity	NPD3133	Approved
0.716	Intermediate Similarity	NPD5275	Approved
0.716	Intermediate Similarity	NPD4190	Phase 3
0.7159	Intermediate Similarity	NPD4751	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD4202	Approved
0.7143	Intermediate Similarity	NPD4748	Discontinued
0.7143	Intermediate Similarity	NPD7509	Discontinued
0.7024	Intermediate Similarity	NPD6929	Approved
0.6947	Remote Similarity	NPD7638	Approved
0.6941	Remote Similarity	NPD6931	Approved
0.6941	Remote Similarity	NPD6930	Phase 2
0.6915	Remote Similarity	NPD5222	Approved
0.6915	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6915	Remote Similarity	NPD5221	Approved
0.6915	Remote Similarity	NPD4697	Phase 3
0.6875	Remote Similarity	NPD7639	Approved
0.6875	Remote Similarity	NPD7640	Approved
0.6848	Remote Similarity	NPD8035	Phase 2
0.6848	Remote Similarity	NPD8034	Phase 2
0.6842	Remote Similarity	NPD5173	Approved
0.6842	Remote Similarity	NPD4755	Approved
0.6824	Remote Similarity	NPD4195	Approved
0.6818	Remote Similarity	NPD3668	Phase 3
0.6786	Remote Similarity	NPD5776	Phase 2
0.6786	Remote Similarity	NPD6925	Approved
0.6786	Remote Similarity	NPD6932	Approved
0.6774	Remote Similarity	NPD6399	Phase 3
0.6771	Remote Similarity	NPD5290	Discontinued
0.675	Remote Similarity	NPD4267	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD368	Approved
0.6706	Remote Similarity	NPD7145	Approved
0.6706	Remote Similarity	NPD7322	Clinical (unspecified phase)
0.6705	Remote Similarity	NPD6695	Phase 3
0.6703	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6701	Remote Similarity	NPD4700	Approved
0.6701	Remote Similarity	NPD5285	Approved
0.6701	Remote Similarity	NPD5286	Approved
0.6701	Remote Similarity	NPD4696	Approved
0.6667	Remote Similarity	NPD5279	Phase 3
0.6633	Remote Similarity	NPD5223	Approved
0.663	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.663	Remote Similarity	NPD4753	Phase 2
0.6629	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.6628	Remote Similarity	NPD6683	Phase 2
0.6591	Remote Similarity	NPD4221	Approved
0.6591	Remote Similarity	NPD4223	Phase 3
0.6575	Remote Similarity	NPD342	Phase 1
0.6566	Remote Similarity	NPD5211	Phase 2
0.6566	Remote Similarity	NPD5224	Approved
0.6566	Remote Similarity	NPD5225	Approved
0.6566	Remote Similarity	NPD4633	Approved
0.6566	Remote Similarity	NPD5226	Approved
0.6556	Remote Similarity	NPD6893	Approved
0.6556	Remote Similarity	NPD5329	Approved
0.6552	Remote Similarity	NPD7332	Phase 2
0.6552	Remote Similarity	NPD4695	Discontinued
0.6552	Remote Similarity	NPD7514	Phase 3
0.6535	Remote Similarity	NPD6402	Approved
0.6535	Remote Similarity	NPD5739	Approved
0.6535	Remote Similarity	NPD7128	Approved
0.6535	Remote Similarity	NPD6675	Approved
0.6517	Remote Similarity	NPD4788	Approved
0.65	Remote Similarity	NPD5174	Approved
0.65	Remote Similarity	NPD4754	Approved
0.65	Remote Similarity	NPD5175	Approved
0.6484	Remote Similarity	NPD7521	Approved
0.6484	Remote Similarity	NPD6409	Approved
0.6484	Remote Similarity	NPD7334	Approved
0.6484	Remote Similarity	NPD5330	Approved
0.6484	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.6484	Remote Similarity	NPD7146	Approved
0.6484	Remote Similarity	NPD6684	Approved
0.6477	Remote Similarity	NPD6902	Approved
0.6477	Remote Similarity	NPD6898	Phase 1
0.6463	Remote Similarity	NPD4787	Phase 1
0.6444	Remote Similarity	NPD4197	Approved
0.6436	Remote Similarity	NPD5141	Approved
0.6413	Remote Similarity	NPD3573	Approved
0.6413	Remote Similarity	NPD7750	Discontinued
0.6413	Remote Similarity	NPD7524	Approved
0.6408	Remote Similarity	NPD6899	Approved
0.6408	Remote Similarity	NPD7320	Approved
0.6408	Remote Similarity	NPD6881	Approved
0.6386	Remote Similarity	NPD4808	Clinical (unspecified phase)
0.6386	Remote Similarity	NPD4809	Clinical (unspecified phase)
0.6373	Remote Similarity	NPD4767	Approved
0.6373	Remote Similarity	NPD4768	Approved
0.6346	Remote Similarity	NPD6372	Approved
0.6346	Remote Similarity	NPD6373	Approved
0.6344	Remote Similarity	NPD6903	Approved
0.6341	Remote Similarity	NPD3700	Clinical (unspecified phase)
0.6341	Remote Similarity	NPD3699	Clinical (unspecified phase)
0.6327	Remote Similarity	NPD6084	Phase 2
0.6327	Remote Similarity	NPD6083	Phase 2
0.6322	Remote Similarity	NPD3617	Approved
0.6316	Remote Similarity	NPD6411	Approved
0.6311	Remote Similarity	NPD5697	Approved
0.6311	Remote Similarity	NPD5701	Approved
0.6304	Remote Similarity	NPD4688	Approved
0.6304	Remote Similarity	NPD4689	Approved
0.6304	Remote Similarity	NPD5205	Approved
0.6304	Remote Similarity	NPD4519	Discontinued
0.6304	Remote Similarity	NPD4690	Approved
0.6304	Remote Similarity	NPD4623	Approved
0.6304	Remote Similarity	NPD4693	Phase 3
0.6304	Remote Similarity	NPD4138	Approved
0.6289	Remote Similarity	NPD5210	Approved
0.6289	Remote Similarity	NPD4629	Approved
0.6286	Remote Similarity	NPD7290	Approved
0.6286	Remote Similarity	NPD6883	Approved
0.6286	Remote Similarity	NPD7102	Approved
0.6279	Remote Similarity	NPD6117	Approved
0.6277	Remote Similarity	NPD6051	Approved
0.6263	Remote Similarity	NPD4225	Approved
0.625	Remote Similarity	NPD6011	Approved
0.625	Remote Similarity	NPD5168	Approved
0.625	Remote Similarity	NPD5128	Approved
0.625	Remote Similarity	NPD4730	Approved
0.625	Remote Similarity	NPD4729	Approved
0.6238	Remote Similarity	NPD7632	Discontinued
0.6235	Remote Similarity	NPD6113	Clinical (unspecified phase)
0.6226	Remote Similarity	NPD6650	Approved
0.6226	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6226	Remote Similarity	NPD8130	Phase 1
0.6226	Remote Similarity	NPD6617	Approved
0.6226	Remote Similarity	NPD6649	Approved
0.6226	Remote Similarity	NPD6869	Approved
0.6226	Remote Similarity	NPD6847	Approved
0.6224	Remote Similarity	NPD7614	Phase 1
0.6207	Remote Similarity	NPD6116	Phase 1
0.6195	Remote Similarity	NPD8328	Phase 3
0.619	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.619	Remote Similarity	NPD6012	Approved
0.619	Remote Similarity	NPD6014	Approved
0.619	Remote Similarity	NPD6013	Approved
0.618	Remote Similarity	NPD8259	Clinical (unspecified phase)
0.617	Remote Similarity	NPD4723	Approved
0.617	Remote Similarity	NPD6672	Approved
0.617	Remote Similarity	NPD4722	Approved
0.617	Remote Similarity	NPD5737	Approved
0.6168	Remote Similarity	NPD8297	Approved
0.6168	Remote Similarity	NPD6882	Approved
0.6163	Remote Similarity	NPD3703	Phase 2
0.6154	Remote Similarity	NPD6412	Phase 2
0.6146	Remote Similarity	NPD7087	Discontinued
0.6143	Remote Similarity	NPD385	Approved
0.6143	Remote Similarity	NPD384	Approved
0.6139	Remote Similarity	NPD4159	Approved
0.6136	Remote Similarity	NPD6697	Approved
0.6136	Remote Similarity	NPD6118	Approved
0.6136	Remote Similarity	NPD6115	Approved
0.6136	Remote Similarity	NPD6114	Approved
0.6132	Remote Similarity	NPD5135	Approved
0.6132	Remote Similarity	NPD5169	Approved
0.6132	Remote Similarity	NPD5247	Approved
0.6132	Remote Similarity	NPD5134	Clinical (unspecified phase)
0.6132	Remote Similarity	NPD4634	Approved
0.6132	Remote Similarity	NPD5249	Phase 3
0.6132	Remote Similarity	NPD5248	Approved
0.6132	Remote Similarity	NPD5251	Approved
0.6132	Remote Similarity	NPD5250	Approved
0.6129	Remote Similarity	NPD4694	Approved
0.6129	Remote Similarity	NPD5690	Phase 2
0.6129	Remote Similarity	NPD5280	Approved
0.6105	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6105	Remote Similarity	NPD6101	Approved
0.6091	Remote Similarity	NPD7115	Discovery
0.6091	Remote Similarity	NPD8295	Clinical (unspecified phase)

Structure

CID27765 OpenBabel06191715352D 31 35 0 0 1 0 0 0 0 0999 V2000 -5.0518 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3679 -0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4981 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5259 2.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6839 -0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2098 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6839 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6839 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3679 1.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -2.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 0.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6839 1.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2098 0.4861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3679 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6839 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6839 -0.9722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.9722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5259 -2.4306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5259 0.4861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5259 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5259 1.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8420 -1.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8420 0.4861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3679 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 26 1 0 0 0 0 4 26 1 0 0 0 0 7 29 1 0 0 0 0 9 10 1 0 0 0 0 9 21 2 0 0 0 0 10 23 1 0 0 0 0 11 14 1 0 0 0 0 11 19 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 29 1 0 0 0 0 19 1 1 6 0 0 0 19 20 1 0 0 0 0 20 2 1 1 0 0 0 20 25 1 0 0 0 0 21 25 1 0 0 0 0 21 29 1 0 0 0 0 22 26 1 0 0 0 0 22 28 1 1 0 0 0 23 28 1 1 0 0 0 23 30 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 1 0 0 0 25 27 1 6 0 0 0 27 5 1 1 0 0 0 28 6 1 1 0 0 0 29 30 1 1 0 0 0 30 8 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	73170
ChEMBL	CHEMBL455357
ZINC

Physicochemical Properties

Molecular Weight:	426.39
ALogP:	2.3656
MLogP:	4.65
XLogP:	11.448
# Rotatable Bonds:	9
Polar Surface Area:	20.23
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	31

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