Natural Product: NPC184049

Natural Product ID:  NPC184049
Common Name:   Spathulenol
IUPAC Name:   (1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol
Synonyms:   (+)-Spathulenol; Spathulenol; Spatulenol
Molecular Formula:   C15H24O
Standard InCHIKey:  FRMCCTDTYSRUBE-BGPZULBFSA-N
Standard InCHI:  InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1
Canonical SMILES:  C=C1CC[C@@H]2[C@H]([C@H]3[C@H]1CC[C@]3(C)O)C2(C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO28429 Streptomyces jumonjinensis Species Streptomycetaceae Bacteria UNPD*
NPO16789 Erythrina sandwicensis Species Fabaceae Eukaryota UNPD*
NPO6899 Hepialus hecta Species Hepialidae Eukaryota UNPD*
NPO1753 Schisandrae chinensis fructus NA NA NA TCMSP*
NPO5649 Coptis chinensis Species Ranunculaceae Eukaryota TM-MC*
NPO16223 Serratula xeranthemoides Species Asteraceae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO14127 Veratrum eschscholtzii Species Melanthiaceae Eukaryota UNPD*
NPO5146 Tuta absoluta Species Gelechiidae Eukaryota UNPD*
NPO6226 Pseudoalteromonas tunicata Species Pseudoalteromonadaceae Bacteria UNPD*
NPO13130 Notholaena peninsularis Species Pteridaceae Eukaryota UNPD*
NPO15904 Chrysosplenium oppositifolium Species Saxifragaceae Eukaryota UNPD*
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota TM-MC*
NPO22622 Coptis deltoidea Species Ranunculaceae Eukaryota TM-MC*
NPO17377 Pittosporum viridiflorum Species Pittosporaceae Eukaryota UNPD*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TM-MC*
NPO18529 Salvia broussoneti Species Lamiaceae Eukaryota UNPD*
NPO20956 Bosistoa brassii Species Rutaceae Eukaryota UNPD*
NPO19082 Creolophus cirrhatus Species Hericiaceae Eukaryota UNPD*
NPO15452 Senecio othonniformis Species Asteraceae Eukaryota UNPD*
NPO25682 Acorus calamus Species Acoraceae Eukaryota TM-MC*
NPO13757 Coptis japonica Species Ranunculaceae Eukaryota TM-MC*
NPO15709 Lobelia langeana Species Campanulaceae Eukaryota UNPD*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TM-MC*
NPO16034 Lecanora sulphurata Species Lecanoraceae Eukaryota UNPD*
NPO24567 Trifolium alpestre Species Fabaceae Eukaryota UNPD*
NPO18576 Vernonia aurea Species Asteraceae Eukaryota UNPD*
NPO10957 Cladosiphon okamuranus Species Chordariaceae Eukaryota UNPD*
NPO26351 Agastache rugosa Species Lamiaceae Eukaryota TM-MC*
NPO29008 Coptis teeta Species Ranunculaceae Eukaryota TM-MC*
NPO18762 Ilex microdonta Species Aquifoliaceae Eukaryota UNPD*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TM-MC*
NPO14595 Lactarius torminosus Species Russulaceae Eukaryota UNPD*
NPO5018 Nervilia fordii Species Orchidaceae Eukaryota UNPD*
NPO15691 Senecio coahuilensis Species Asteraceae Eukaryota UNPD*
NPO1540 Scopolia tangutica Species Solanaceae Eukaryota UNPD*
NPO21773 Rothmannia urcelliformis Species Rubiaceae Eukaryota UNPD*
NPO6570 Cinnamomum philippinense Species Lauraceae Eukaryota UNPD*
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota TM-MC*
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota TM-MC*
NPO3034 Lonchocarpus yucatanensis Species Fabaceae Eukaryota UNPD*
NPO16039 Scutellaria barbata Species Lamiaceae Eukaryota TM-MC*
NPO6819 Cardopatium corymbosum Species Asteraceae Eukaryota UNPD*
NPO26942 Vicoa vestita NA NA NA UNPD*
NPO27751 Pinus radiata Species Pinaceae Eukaryota UNPD*
NPO8298 Sphaeria biglobosa NA NA NA UNPD*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TM-MC*
NPO20691 Echinocereus merkeri Species Cactaceae Eukaryota UNPD*
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota TM-MC*
NPO9964 Aglaia lawii Species Meliaceae Eukaryota UNPD*
NPO25112 Senecio glastifolius Species Asteraceae Eukaryota UNPD*
NPO8171 Artocarpus altilis Species Moraceae Eukaryota UNPD*
NPO17433 Peltophorum dubium Species Fabaceae Eukaryota UNPD*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota TM-MC*
NPO27593 Silene dioica Species Caryophyllaceae Eukaryota UNPD*
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota TM-MC*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TM-MC*
NPO9142 Aeschynanthus parvifolius Species Gesneriaceae Eukaryota UNPD*
NPO17186 Sibiraea angustata Species Rosaceae Eukaryota UNPD*
NPO7328 Salvia miniata Species Lamiaceae Eukaryota UNPD*
NPO18747 Bufo bankorensis Species Bufonidae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota TM-MC*
NPO10001 Gnidia subcordata Species Thymelaeaceae Eukaryota UNPD*
NPO9650 Zanthoxylum nitidum Species Rutaceae Eukaryota TM-MC*
NPO18899 Keyserlingia koreensis NA NA NA UNPD*
NPO16713 Choisya arizonica Species Rutaceae Eukaryota UNPD*
NPO16634 Sinularia manaarensis Species Alcyoniidae Eukaryota UNPD*
NPO18131 Micromelum falcatum Species Rutaceae Eukaryota UNPD*
NPO17987 Mycosphaerella nawae Species Mycosphaerellaceae Eukaryota UNPD*
NPO27638 Phoenix hanceana Species Arecaceae Eukaryota UNPD*
NPO7929 Curcuma zedoaria Species Zingiberaceae Eukaryota TM-MC*
NPO13475 Clinopodium chinense Species Lamiaceae Eukaryota PMID[26408136]
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TM-MC*
NPO17565 Hordeum bulbosum Species Poaceae Eukaryota UNPD*
NPO27507 Streptomyces ribosidificus Species Streptomycetaceae Bacteria UNPD*
NPO28448 Agathis dammara Species Araucariaceae Eukaryota UNPD*
NPO27130 Tsuga sieboldii Species Pinaceae Eukaryota UNPD*
NPO20618 Penicilliopsis clavariiformis Species Aspergillaceae Eukaryota UNPD*
NPO26589 Artemisia annua Species Asteraceae Eukaryota TM-MC*
NPO22796 Cyperus rotundus Species Cyperaceae Eukaryota TM-MC*
NPO19534 Stachys annua Species Lamiaceae Eukaryota Aerial parts PMID[26265569]
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TM-MC*
NPO12604 Phakellia dendyi Species Bubaridae Eukaryota UNPD*
NPO15194 Euphorbia balsamifera Species Euphorbiaceae Eukaryota UNPD*
NPO16727 Iris sibirica Species Iridaceae Eukaryota UNPD*
NPO13296 Pinus sitchensis Species Pinaceae Eukaryota UNPD*
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota TM-MC*
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO20418 Actinodaphne pruinosa Species Lauraceae Eukaryota Leaves PMID[27534134]
NPO22302 Murraya microphylla Species Rutaceae Eukaryota PMID[26594776]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO16221 Dolichos kilimandscharicus Species Fabaceae Eukaryota UNPD*
NPO16256 Helleborus viridis Species Ranunculaceae Eukaryota UNPD*
NPO19747 Maytenus emarginata Species Celastraceae Eukaryota UNPD*
NPO1457 Phoma asparagi Species Didymellaceae Eukaryota UNPD*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO24197 Eugenia uniflora Species Myrtaceae Eukaryota Leaves PMID[27447784]
NPO26594 Eucalyptus tereticornis Species Myrtaceae Eukaryota TCMID*
NPO18824 Alpinia pulcherrima Species Staphylinidae Eukaryota UNPD*
NPO25331 Sorgum bicolor NA NA NA UNPD*
NPO22394 Hyacinthoides hispanica Species Hyacinthaceae Eukaryota UNPD*
NPO19285 Chromodoris cavae Species Chromodorididae Eukaryota UNPD*
NPO28688 Aster tataricus Species Asteraceae Eukaryota TM-MC*
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota TM-MC*
NPO24316 Salvia mirzayanii Species Lamiaceae Eukaryota PMID[20857430]
NPO27635 Laurencia dendroidea Species Rhodomelaceae Eukaryota UNPD*
NPO1780 Sphaeria doliolum NA NA NA UNPD*
NPO27777 Artemisia phaeolepis Species Asteraceae Eukaryota UNPD*
NPO18326 Eria siamensis Species Orchidaceae Eukaryota UNPD*
NPO28304 Viburnum tinus Species Adoxaceae Eukaryota UNPD*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TM-MC*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TM-MC*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO2494 Xanthium strumarium Species Asteraceae Eukaryota Aerial parts PMID[27169184]
NPO25628 Abrus pulchellus Species Fabaceae Eukaryota TCMID*
NPO19554 Coronilla hyrcana Species Fabaceae Eukaryota UNPD*
NPO27461 Odocoileus hemionus Species Cervidae Eukaryota UNPD*
NPO18259 Chaetanthera chilensis Species Asteraceae Eukaryota UNPD*
NPO9364 Locusta migratoria Species Acrididae Eukaryota UNPD*
NPO20902 Atractylodes macrocephala Species Asteraceae Eukaryota TM-MC*
NPO25825 Saussurea costus Species Asteraceae Eukaryota TM-MC*
NPO13274 Illicium verum Species Schisandraceae Eukaryota TM-MC*
NPO25474 Ocotea pulchella Species Lauraceae Eukaryota Leaves PMID[27482860]
NPO9425 Punctelia microsticta Species Parmeliaceae Eukaryota UNPD*
NPO27570 Paederia foetida Species Rubiaceae Eukaryota UNPD*
NPO19008 Mentha cablin Species Lamiaceae Eukaryota UNPD*
NPO11702 Plexaurella grisea Species Plexauridae Eukaryota UNPD*
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TM-MC*
NPO28807 Laggera pterodonta Species Asteraceae Eukaryota TM-MC*
NPO25474 Ocotea pulchella Species Lauraceae Eukaryota Root PMID[27482860]
NPO24227 Blumea malcolmii Species Asteraceae Eukaryota UNPD*
NPO19495 Bignonia unguiscati Species Bignoniaceae Eukaryota UNPD*
NPO1534 Jatropha gossypiifolia Species Euphorbiaceae Eukaryota UNPD*
NPO27420 Venidium hirsutum NA NA NA UNPD*
NPO2768 Berchemia floribunda Species Rhamnaceae Eukaryota UNPD*
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota TM-MC*
NPO23548 Leonurus japonicus Species Lamiaceae Eukaryota TM-MC*
NPO25474 Ocotea pulchella Species Lauraceae Eukaryota Stems PMID[27482860]
NPO17876 Magnolia henryi Species Magnoliaceae Eukaryota UNPD*
NPO18653 Cyathus intermedius Species Nidulariaceae Eukaryota UNPD*
NPO15370 Tamarix dioica Species Tamaricaceae Eukaryota UNPD*
NPO19350 Ephedra altissima Species Ephedraceae Eukaryota UNPD*
NPO11413 Incarvillea emodi Species Bignoniaceae Eukaryota UNPD*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TM-MC*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TM-MC*
NPO29959 Glycosmis lucida Species Rutaceae Eukaryota Leaves PMID[27563800]
NPO14941 Delphinium tricorne Species Ranunculaceae Eukaryota UNPD*
NPO14027 Dacryodes normandii Species Burseraceae Eukaryota UNPD*
NPO752 Oligonychus bessardi Species Tetranychidae Eukaryota UNPD*
NPO19069 Thelepus setosus Species Terebellidae Eukaryota UNPD*
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota TM-MC*
NPO11474 Ligusticum jeholense Species Apiaceae Eukaryota TM-MC*
NPO30580 Aloysia gratissima Species Verbenaceae Eukaryota PMID[26221984]
NPO12464 Litsea nitida Species Lauraceae Eukaryota UNPD*
NPO16481 Xanthium canadense Species Asteraceae Eukaryota UNPD*
NPO17050 Haemanthus albiflos Species Amaryllidaceae Eukaryota UNPD*
NPO16466 Baccharis santelicis Species Asteraceae Eukaryota UNPD*
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota TM-MC*
NPO2154 Ligusticum tenuissimum Species Apiaceae Eukaryota TM-MC*
NPO30648 Alisma orientale Species Alismataceae Eukaryota tuber PMID[26666273]
NPO1354 Myelochroa rhytidodes Species Parmeliaceae Eukaryota UNPD*
NPO4171 Isolona pilosa Species Annonaceae Eukaryota UNPD*
NPO19683 Pycnothymus rigidus NA NA NA UNPD*
NPO27339 Lactarius blennius Species Russulaceae Eukaryota UNPD*
NPO13773 Eriogonum nudum Species Polygonaceae Eukaryota UNPD*
NPO17295 Chrysanthemum zawadskii Species Asteraceae Eukaryota TM-MC*
NPO18811 Magnolia biondii Species Magnoliaceae Eukaryota TM-MC*
NPO31161 Annonaceae Genus Annonaceae Eukaryota fruit PMID[26920282]
NPO7664 Pseudocedrela kotschyi Species Meliaceae Eukaryota UNPD*
NPO14625 Santolina rosmarinifolia Species Asteraceae Eukaryota UNPD*
NPO11979 Bugula neritina Species Bugulidae Eukaryota UNPD*
NPO19222 Mycale tenuis Species Mycalidae Eukaryota UNPD*
NPO18986 Betula papyrifera Species Betulaceae Eukaryota UNPD*
NPO9546 Cinamomum cassia NA NA NA TM-MC*
NPO15064 Magnolia denudata Species Magnoliaceae Eukaryota TM-MC*
NPO31433 Lophostemon suaveolens Species Myrtaceae Eukaryota Leaves PMID[25942679]
NPO6388 Mulguraea tridens Species Verbenaceae Eukaryota UNPD*
NPO17447 Agathosma betulina Species Rutaceae Eukaryota UNPD*
NPO24990 Philodendron radiatum Species Araceae Eukaryota UNPD*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TCMSP*
NPO8255 Cinnamomum aromaticum Species Lauraceae Eukaryota TM-MC*
NPO1918 Magnolia kobus Species Magnoliaceae Eukaryota TM-MC*
NPO31442 Bupleurum Genus Apiaceae Eukaryota Flowers PMID[26996033]
NPO16553 Theonella cupola Species Theonellidae Eukaryota UNPD*
NPO16878 Roldana barba-johannis Species Asteraceae Eukaryota UNPD*
NPO10969 Epimedium sagittatum Species Berberidaceae Eukaryota UNPD*
NPO29705 Viticis fructus Species Curculionidae Eukaryota TCMSP*
NPO27288 Citrus maxima Species Rutaceae Eukaryota TM-MC*
NPO15294 Magnolia salicifolia Species Magnoliaceae Eukaryota TM-MC*
NPO31442 Bupleurum Genus Apiaceae Eukaryota fruit PMID[26996033]
NPO22541 Channa argus Species Channidae Eukaryota UNPD*
NPO6642 Mocis latipes Species Noctuidae Eukaryota UNPD*
NPO15341 Mucuna sloanei Species Fabaceae Eukaryota UNPD*
NPO11763 Cyperus capitatus Species Cyperaceae Eukaryota UNPD*
NPO5800 Radix salviae Species Lymnaeidae Eukaryota TCMSP*
NPO22033 Cnidium officinale Species Apiaceae Eukaryota TM-MC*
NPO25197 Magnolia sprengeri Species Magnoliaceae Eukaryota TM-MC*
NPO8554 Cryptocarya lividula Species Lauraceae Eukaryota Leaves PMID[27032214]
NPO29072 Tritomaria quinquedentata Species Scapaniaceae Eukaryota UNPD*
NPO25549 Rhizophagus intraradices Species Glomeraceae Eukaryota UNPD*
NPO5478 Solidago leavenworthii Species Asteraceae Eukaryota UNPD*
NPO5824 Hygrophila polysperma Species Acanthaceae Eukaryota UNPD*
NPO6884 Ailanthi cortex NA NA NA TCMSP*
NPO23256 Mentha arvensis Species Lamiaceae Eukaryota TM-MC*
NPO27742 Mollugo pentaphylla Species Molluginaceae Eukaryota UNPD*
NPO18596 Melia dubia Species Meliaceae Eukaryota UNPD*
NPO5989 Gutierrezia gilliesii Species Asteraceae Eukaryota UNPD*
NPO16120 Swertia decora Species Gentianaceae Eukaryota UNPD*
NPO16313 Ochrocarpos odoratus Species Clusiaceae Eukaryota UNPD*
NPO29723 Solidaginis herba NA NA NA TCMSP*
NPO13857 Mentha canadensis Species Lamiaceae Eukaryota TM-MC*
NPO13410 Mcneillia graminifolia Species Caryophyllaceae Eukaryota UNPD*
NPO18492 Prunus pseudocerasus Species Rosaceae Eukaryota UNPD*
NPO7081 Sidastrum tehuacanum Species Malvaceae Eukaryota UNPD*
NPO23086 Carex aridula Species Cyperaceae Eukaryota UNPD*
NPO26934 Naucleopsis mello-barretoi Species Moraceae Eukaryota UNPD*
NPO25951 Chuanxiong rhizoma NA NA NA TCMSP*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO27520 Casuarina equisetifolia Species Casuarinaceae Eukaryota UNPD*
NPO3742 Betula maximowicziana Species Betulaceae Eukaryota UNPD*
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota UNPD*
NPO27465 Sinularia erecta Species Alcyoniidae Eukaryota UNPD*
NPO19614 Erica cinerea Species Ericaceae Eukaryota UNPD*
NPO15579 Mycale laxissima Species Mycalidae Eukaryota UNPD*
NPO3220 Aberia caffra NA NA NA UNPD*
NPO3724 Amomum neoaurantiacum Species Zingiberaceae Eukaryota TCMSP*
NPO12182 Murraya exotica Species Rutaceae Eukaryota TM-MC*
NPO1560 Boronia alata Species Rutaceae Eukaryota UNPD*
NPO2351 Echinocardium cordatum Species Loveniidae Eukaryota UNPD*
NPO8782 Arnica sachalinensis Species Asteraceae Eukaryota UNPD*
NPO13661 Tripterygium wilfordii Species Celastraceae Eukaryota UNPD*
NPO13975 Calanthe arisanensis Species Orchidaceae Eukaryota UNPD*
NPO3295 Herba clinopodii polycephali NA NA NA TCMSP*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota TM-MC*
NPO14201 Riccia fluitans Species Ricciaceae Eukaryota UNPD*
NPO13245 Agelas longissima Species Agelasidae Eukaryota UNPD*
NPO27845 Lanice conchilega Species Terebellidae Eukaryota UNPD*
NPO27425 Pseudotaxus chienii Species Taxaceae Eukaryota UNPD*
NPO19416 Streptomyces sakaiensis Species Streptomycetaceae Bacteria UNPD*
NPO29559 Cinnamomi ramulus NA NA NA TCMSP*
NPO14108 Nardostachys jatamansi Species Caprifoliaceae Eukaryota TM-MC*
NPO32645 croton arboreous Species Euphorbiaceae Eukaryota PMID[15165166]
NPO12087 Amaioua guianensis Species Rubiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT762 Cell Line A-431 Homo sapiens ED50 > 20 ug/ml 1517737
NPT2 Others Unspecified ED50 > 20 ug/ml 1517737
NPT1851 Cell Line Col2 Homo sapiens ED50 > 20 ug/ml 1517737
NPT453 Cell Line HT-1080 Homo sapiens ED50 > 20 ug/ml 1517737
NPT168 Cell Line P388 Mus musculus ED50 > 20 ug/ml 1517737
NPT133 Cell Line ZR-75-1 Homo sapiens ED50 > 20 ug/ml 1517737
NPT147 Cell Line SK-MEL-2 Homo sapiens ED50 > 20 ug/ml 1517737
NPT1034 Cell Line Lu1 Homo sapiens ED50 > 20 ug/ml 1517737
NPT858 Cell Line LNCaP Homo sapiens ED50 > 20 ug/ml 1517737
NPT91 Cell Line KB Homo sapiens ED50 > 20 ug/ml 1517737
NPT32 Organism Mus musculus Mus musculus Activity = 31.5 % 15165166
NPT2 Others Unspecified ED50 > 20 ug/ml 7931367
NPT1851 Cell Line Col2 Homo sapiens ED50 > 20 ug/ml 7931367
NPT453 Cell Line HT-1080 Homo sapiens ED50 > 20 ug/ml 7931367
NPT91 Cell Line KB Homo sapiens ED50 > 20 ug/ml 7931367
NPT1034 Cell Line Lu1 Homo sapiens ED50 > 20 ug/ml 7931367
NPT147 Cell Line SK-MEL-2 Homo sapiens ED50 = 6.3 ug/ml 7931367
NPT168 Cell Line P388 Mus musculus ED50 > 20 ug/ml 7931367
NPT176 Organism Artemia salina Artemia salina LC50 < 3 ppm 10.1016/S0305-1978(98)00131-8
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Activity = 107.2 % 26508549
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Activity = 105.8 % 26508549

  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 NPC184049 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 NPC99480
0.8644 High Similarity NPC52431
0.8644 High Similarity NPC310228
0.8361 Intermediate Similarity NPC15152
0.8333 Intermediate Similarity NPC471660
0.8197 Intermediate Similarity NPC252809
0.8182 Intermediate Similarity NPC127997
0.8182 Intermediate Similarity NPC95969
0.8125 Intermediate Similarity NPC469328
0.8088 Intermediate Similarity NPC471659
0.8033 Intermediate Similarity NPC469321
0.8033 Intermediate Similarity NPC5698
0.8 Intermediate Similarity NPC278550
0.7966 Intermediate Similarity NPC45387
0.7937 Intermediate Similarity NPC474480
0.7903 Intermediate Similarity NPC162109
0.7903 Intermediate Similarity NPC323153
0.7857 Intermediate Similarity NPC471658
0.7778 Intermediate Similarity NPC63111
0.7705 Intermediate Similarity NPC291147
0.7692 Intermediate Similarity NPC238352
0.7692 Intermediate Similarity NPC477009
0.7692 Intermediate Similarity NPC261782
0.7692 Intermediate Similarity NPC205618
0.7692 Intermediate Similarity NPC469326
0.7619 Intermediate Similarity NPC135648
0.7538 Intermediate Similarity NPC219940
0.7536 Intermediate Similarity NPC471662
0.7463 Intermediate Similarity NPC136813
0.7432 Intermediate Similarity NPC471656
0.7391 Intermediate Similarity NPC133873
0.7333 Intermediate Similarity NPC471661
0.7333 Intermediate Similarity NPC192962
0.7286 Intermediate Similarity NPC41886
0.7273 Intermediate Similarity NPC90803
0.7273 Intermediate Similarity NPC23145
0.7273 Intermediate Similarity NPC90506
0.7258 Intermediate Similarity NPC39068
0.7258 Intermediate Similarity NPC274396
0.7258 Intermediate Similarity NPC264779
0.7246 Intermediate Similarity NPC144647
0.7231 Intermediate Similarity NPC210346
0.7231 Intermediate Similarity NPC147524
0.7206 Intermediate Similarity NPC74885
0.7206 Intermediate Similarity NPC308522
0.7164 Intermediate Similarity NPC300442
0.7143 Intermediate Similarity NPC471781
0.7123 Intermediate Similarity NPC126969
0.7121 Intermediate Similarity NPC211291
0.7121 Intermediate Similarity NPC133368
0.7101 Intermediate Similarity NPC167527
0.7083 Intermediate Similarity NPC309178
0.7042 Intermediate Similarity NPC469737
0.7031 Intermediate Similarity NPC10017
0.7031 Intermediate Similarity NPC474769
0.7031 Intermediate Similarity NPC189290
0.7015 Intermediate Similarity NPC140233
0.7015 Intermediate Similarity NPC309300
0.7015 Intermediate Similarity NPC287744
0.6986 Remote Similarity NPC77501
0.6957 Remote Similarity NPC472253
0.6957 Remote Similarity NPC477791
0.6957 Remote Similarity NPC472255
0.6944 Remote Similarity NPC234527
0.6944 Remote Similarity NPC195489
0.6944 Remote Similarity NPC14352
0.6935 Remote Similarity NPC286752
0.6923 Remote Similarity NPC475968
0.6901 Remote Similarity NPC18543
0.6901 Remote Similarity NPC475728
0.6892 Remote Similarity NPC310643
0.6866 Remote Similarity NPC279200
0.6857 Remote Similarity NPC224532
0.6849 Remote Similarity NPC196358
0.6849 Remote Similarity NPC145552
0.6849 Remote Similarity NPC5046
0.6849 Remote Similarity NPC49168
0.6849 Remote Similarity NPC254509
0.6812 Remote Similarity NPC162309
0.6812 Remote Similarity NPC272125
0.6806 Remote Similarity NPC164045
0.68 Remote Similarity NPC471454
0.679 Remote Similarity NPC45957
0.679 Remote Similarity NPC471657
0.678 Remote Similarity NPC100445
0.6769 Remote Similarity NPC475830
0.6757 Remote Similarity NPC313185
0.6757 Remote Similarity NPC70982
0.6757 Remote Similarity NPC230704
0.6757 Remote Similarity NPC251435
0.6757 Remote Similarity NPC200243
0.6727 Remote Similarity NPC246165
0.6724 Remote Similarity NPC87439
0.6719 Remote Similarity NPC179024
0.6719 Remote Similarity NPC3025
0.6716 Remote Similarity NPC41160
0.6712 Remote Similarity NPC300940
0.6712 Remote Similarity NPC469320
0.6712 Remote Similarity NPC472506
0.6711 Remote Similarity NPC42853
0.6711 Remote Similarity NPC472342
0.6711 Remote Similarity NPC321690
0.6667 Remote Similarity NPC27243
0.6667 Remote Similarity NPC476737
0.6667 Remote Similarity NPC15162
0.6667 Remote Similarity NPC182848
0.6667 Remote Similarity NPC254845
0.6667 Remote Similarity NPC165069
0.6667 Remote Similarity NPC476317
0.6667 Remote Similarity NPC470041
0.6667 Remote Similarity NPC19569
0.6667 Remote Similarity NPC472472
0.6667 Remote Similarity NPC61503
0.6667 Remote Similarity NPC215481
0.6627 Remote Similarity NPC170775
0.6625 Remote Similarity NPC242016
0.6623 Remote Similarity NPC49599
0.6623 Remote Similarity NPC49627
0.6622 Remote Similarity NPC27395
0.6622 Remote Similarity NPC476736
0.6622 Remote Similarity NPC329090
0.662 Remote Similarity NPC160209
0.6615 Remote Similarity NPC65786
0.6615 Remote Similarity NPC119425
0.6615 Remote Similarity NPC101285
0.6615 Remote Similarity NPC7491
0.6615 Remote Similarity NPC13789
0.6615 Remote Similarity NPC27853
0.6613 Remote Similarity NPC179169
0.6613 Remote Similarity NPC181255
0.6613 Remote Similarity NPC306195
0.6613 Remote Similarity NPC157781
0.6613 Remote Similarity NPC35519
0.6579 Remote Similarity NPC331618
0.6579 Remote Similarity NPC34019
0.6579 Remote Similarity NPC257191
0.6575 Remote Similarity NPC111234
0.6575 Remote Similarity NPC469343
0.6562 Remote Similarity NPC178223
0.6562 Remote Similarity NPC283655
0.6562 Remote Similarity NPC277917
0.6562 Remote Similarity NPC89069
0.6562 Remote Similarity NPC166894
0.6562 Remote Similarity NPC218525
0.6557 Remote Similarity NPC131623
0.6557 Remote Similarity NPC329773
0.6538 Remote Similarity NPC80622
0.6538 Remote Similarity NPC476625
0.6538 Remote Similarity NPC156658
0.6538 Remote Similarity NPC164218
0.6538 Remote Similarity NPC258965
0.6533 Remote Similarity NPC201263
0.6533 Remote Similarity NPC319090
0.6533 Remote Similarity NPC328104
0.6533 Remote Similarity NPC113639
0.6533 Remote Similarity NPC3403
0.6528 Remote Similarity NPC474900
0.6528 Remote Similarity NPC22301
0.6522 Remote Similarity NPC101128
0.65 Remote Similarity NPC471340
0.65 Remote Similarity NPC260852
0.6494 Remote Similarity NPC477522
0.6494 Remote Similarity NPC477817
0.6494 Remote Similarity NPC65897
0.6494 Remote Similarity NPC302041
0.6494 Remote Similarity NPC469324
0.6494 Remote Similarity NPC477819
0.6494 Remote Similarity NPC85346
0.6494 Remote Similarity NPC477514
0.6494 Remote Similarity NPC472501
0.6486 Remote Similarity NPC474140
0.6479 Remote Similarity NPC33583
0.6479 Remote Similarity NPC161612
0.6471 Remote Similarity NPC274704
0.6452 Remote Similarity NPC26906
0.6452 Remote Similarity NPC214584
0.6447 Remote Similarity NPC315261
0.6447 Remote Similarity NPC124289
0.6447 Remote Similarity NPC91573
0.6447 Remote Similarity NPC96319
0.6447 Remote Similarity NPC38141
0.6447 Remote Similarity NPC141346
0.6447 Remote Similarity NPC25908
0.6447 Remote Similarity NPC473437
0.6447 Remote Similarity NPC142759
0.6447 Remote Similarity NPC20466
0.6447 Remote Similarity NPC115719
0.6441 Remote Similarity NPC229403
0.6438 Remote Similarity NPC45296
0.6429 Remote Similarity NPC258595
0.6429 Remote Similarity NPC64123
0.6418 Remote Similarity NPC95958
0.641 Remote Similarity NPC1319
0.6406 Remote Similarity NPC32222
0.6406 Remote Similarity NPC202146
0.64 Remote Similarity NPC7382
0.64 Remote Similarity NPC206875
0.64 Remote Similarity NPC25511
0.64 Remote Similarity NPC62657
0.64 Remote Similarity NPC192638

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC184049 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.7286 Intermediate Similarity NPD4243 Approved
0.7083 Intermediate Similarity NPD4785 Approved
0.7083 Intermediate Similarity NPD4784 Approved
0.6986 Remote Similarity NPD4190 Phase 3
0.6986 Remote Similarity NPD5275 Approved
0.6623 Remote Similarity NPD4195 Approved
0.6622 Remote Similarity NPD6924 Approved
0.6622 Remote Similarity NPD6926 Approved
0.6447 Remote Similarity NPD6933 Approved
0.6447 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6375 Remote Similarity NPD4223 Phase 3
0.6375 Remote Similarity NPD4221 Approved
0.6316 Remote Similarity NPD6942 Approved
0.6316 Remote Similarity NPD7339 Approved
0.6301 Remote Similarity NPD6923 Approved
0.6301 Remote Similarity NPD6922 Approved
0.6296 Remote Similarity NPD4788 Approved
0.622 Remote Similarity NPD4197 Approved
0.6216 Remote Similarity NPD7143 Approved
0.6216 Remote Similarity NPD7144 Approved
0.6145 Remote Similarity NPD5329 Approved
0.6133 Remote Similarity NPD7151 Approved
0.6133 Remote Similarity NPD7152 Approved
0.6133 Remote Similarity NPD7150 Approved
0.6125 Remote Similarity NPD6931 Approved
0.6125 Remote Similarity NPD6930 Phase 2
0.6125 Remote Similarity NPD7525 Registered
0.6125 Remote Similarity NPD4748 Discontinued
0.6071 Remote Similarity NPD4693 Phase 3
0.6071 Remote Similarity NPD4690 Approved
0.6071 Remote Similarity NPD5280 Approved
0.6071 Remote Similarity NPD4688 Approved
0.6071 Remote Similarity NPD4689 Approved
0.6071 Remote Similarity NPD4138 Approved
0.6071 Remote Similarity NPD5205 Approved
0.6071 Remote Similarity NPD4694 Approved
0.6071 Remote Similarity NPD5690 Phase 2
0.6049 Remote Similarity NPD4139 Approved
0.6049 Remote Similarity NPD4692 Approved
0.6 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6 Remote Similarity NPD6929 Approved
0.5949 Remote Similarity NPD6932 Approved
0.593 Remote Similarity NPD4518 Approved
0.593 Remote Similarity NPD4723 Approved
0.593 Remote Similarity NPD4722 Approved
0.5926 Remote Similarity NPD7509 Discontinued
0.5904 Remote Similarity NPD6695 Phase 3
0.5862 Remote Similarity NPD4753 Phase 2
0.5854 Remote Similarity NPD6902 Approved
0.5843 Remote Similarity NPD5133 Approved
0.5833 Remote Similarity NPD3665 Phase 1
0.5833 Remote Similarity NPD3666 Approved
0.5833 Remote Similarity NPD3133 Approved
0.5833 Remote Similarity NPD7338 Clinical (unspecified phase)
0.5802 Remote Similarity NPD6683 Phase 2
0.5795 Remote Similarity NPD4001 Clinical (unspecified phase)
0.5795 Remote Similarity NPD4096 Approved
0.5765 Remote Similarity NPD6893 Approved
0.575 Remote Similarity NPD6925 Approved
0.575 Remote Similarity NPD5776 Phase 2
0.5732 Remote Similarity NPD7514 Phase 3
0.573 Remote Similarity NPD5284 Approved
0.573 Remote Similarity NPD5281 Approved
0.5679 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5679 Remote Similarity NPD7145 Approved
0.5667 Remote Similarity NPD4202 Approved
0.5647 Remote Similarity NPD4786 Approved
0.5645 Remote Similarity NPD386 Approved
0.5645 Remote Similarity NPD388 Approved
0.5634 Remote Similarity NPD1145 Discontinued
0.5632 Remote Similarity NPD7524 Approved
0.5632 Remote Similarity NPD7750 Discontinued
0.5625 Remote Similarity NPD1346 Approved

Structure

External Identifiers

PubChem CID   92231
ChEMBL   CHEMBL518542
ZINC  

Physicochemical Properties

Molecular Weight:  220.18
ALogP:  1.7158
MLogP:  3
XLogP:  4.157
# Rotatable Bonds:  4
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  16

Download Data

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