Natural Product: NPC257188

Natural Product IDNPC257188
Common Name
?
The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
 Xanthyletin
IUPAC Name 2,2-dimethylpyrano[3,2-g]chromen-8-one
Synonyms Xanthyletin
Synthetic Gene Cluster n.a.
ChEMBL Identifier CHEMBL303846
PubChem CID 65188
Chemical Classification
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000261] Phenylpropanoids and polyketides
      • [CHEMONTID:0000145] Coumarins and derivatives
        • [CHEMONTID:0003484] Pyranocoumarins
          • [CHEMONTID:0003486] Linear pyranocoumarins

The Chemical Classification was calculated by Classyfire, a software for chemical taxonomy calculation. Reference: DOI:10.1186/s13321-016-0174-y.

  Chemical Representations

Standard InCHIKey QOTBQNVNUBKJMS-UHFFFAOYSA-N
Standard InCHI InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3
SMILES CC1(C)C=Cc2c(O1)cc1c(c2)ccc(=O)o1

  Calculated Properties

Physi-Chem Properties

MedChem Properties

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

ADMET: Distribution

ADMET: Metabolism

ADMET: Excretion

ADMET: Toxicity

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO15117 Chromolaena odorata Species Asteraceae Eukaryota n.a. n.a. n.a. DOI[10.1016/S0031-9422(00)88710-5]
NPO319 Citrus limon Species Rutaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/S0031-9422(99)00119-3]
NPO3854 Ruta graveolens Species Rutaceae Eukaryota n.a. n.a. n.a. DOI[10.1042/BA20070200]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[10096857]
NPO319 Citrus limon Species Rutaceae Eukaryota n.a. fruit n.a. PMID[10606547]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. fruit n.a. PMID[10606547]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. fruit n.a. PMID[10606547]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. root n.a. PMID[11374978]
NPO3973 Flammulina velutipes Species Physalacriaceae Eukaryota n.a. n.a. n.a. PMID[11473426]
NPO18265 Citrus tamurana Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[11999424]
NPO3854 Ruta graveolens Species Rutaceae Eukaryota leaves n.a. n.a. PMID[12568545]
NPO25415 Pseudopterogorgia kallos Species Gorgoniidae Eukaryota n.a. n.a. n.a. PMID[15128261]
NPO13075 Gustavia hexapetala Species Lecythidaceae Eukaryota n.a. Peru 1979 PMID[15217278]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[15679317]
NPO13608 Plumbago zeylanica Species Plumbaginaceae Eukaryota n.a. root n.a. PMID[16078700]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. root n.a. PMID[17997069]
NPO24744 Chloranthus tianmushanensis Species Chloranthaceae Eukaryota leaves n.a. n.a. PMID[18357995]
NPO23557 Zanthoxylum ailanthoides Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[19128011]
NPO26797 Laurencia glandulifera Species Rhodomelaceae Eukaryota n.a. the island of Crete in the south Aegean Sea n.a. PMID[19138151]
NPO3854 Ruta graveolens Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[19191562]
NPO24475 Aceriphyllum rossii n.a. n.a. n.a. n.a. n.a. n.a. PMID[19618898]
NPO13341 Bryopsis pennata Species Bryopsidaceae Eukaryota n.a. Hawaiian n.a. PMID[19916528]
NPO9537 Bauhinia racemosa Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[22348826]
NPO15117 Chromolaena odorata Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[23186307]
NPO23805 Arnica nevadensis Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[23501116]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[23507152]
NPO13608 Plumbago zeylanica Species Plumbaginaceae Eukaryota n.a. n.a. n.a. PMID[23848163]
NPO8797 Cudrania tricuspidata Species Moraceae Eukaryota Root barks n.a. n.a. PMID[25051453]
NPO22194 Kaempferia pulchra Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[25919052]
NPO8797 Cudrania tricuspidata Species Moraceae Eukaryota n.a. n.a. n.a. PMID[27420919]
NPO3854 Ruta graveolens Species Rutaceae Eukaryota Whole Plants n.a. n.a. PMID[28093914]
NPO22194 Kaempferia pulchra Species Zingiberaceae Eukaryota Rhizomes n.a. n.a. PMID[31836445]
NPO26277 Euphorbia hirta Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[32141299]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[33321838]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[33937995]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[34771092]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[34771092]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[35143705]
NPO319 Citrus limon Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[35143705]
NPO319 Citrus limon Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[36378844]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[36432812]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[36840093]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[36987013]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[37049761]
NPO30190 Citrus aurantifolia Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[37111871]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[37176852]
NPO30190 Citrus aurantifolia Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[37554840]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[37751472]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[37836118]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[37836125]
NPO319 Citrus limon Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[38139796]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[38159180]
NPO319 Citrus limon Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[38498554]
NPO30190 Citrus aurantifolia Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[38617568]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[38786901]
NPO40919 Rutaceae sp. Species n.a. n.a. n.a. n.a. n.a. PMID[8021652]
NPO24475 Aceriphyllum rossii n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO26042 Agnorhiza bolanderi Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7552 Alligator mississippiensis Species Alligatoridae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18352 Anaxagorea clavata Species Annonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25090 Araujia sericifera Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24929 Aria pallescens Species Rosaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23805 Arnica nevadensis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25144 Artemisia monogyna Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24556 Bassia butyracea Species Abylidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20833 Beyeria brevifolia Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25529 Bursaria spinosa Species Pittosporaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24744 Chloranthus tianmushanensis Species Chloranthaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15117 Chromolaena odorata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25471 Chromolaena pulchella Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO319 Citrus limon Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25187 Cladonia evansii Species Cladoniaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26128 Clonostachys rosea Species Bionectriaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23567 Coccus fagi Species Coccidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25326 Dendrosenecio kilimanjari Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24511 Dipterocarpus alatus Species Dipterocarpaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22736 Drosera peltata Species Droseraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24640 Echinops amplexicaulis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25234 Epaltes gariepina Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24383 Ficus formosana Species Moraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24218 Fusarium gibbosum Species Nectriaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25671 Gardenia fosbergii Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1794 Ilex affinis Species Aquifoliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25359 Isodon kameba Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22194 Kaempferia pulchra Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25291 Lactarius scrobiculatus Species Russulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23963 Odixia angusta Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23453 Pheidole pallidula Species Formicidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24830 Prosopis glandulosa Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24068 Prunus laurocerasus Species Rosaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25415 Pseudopterogorgia kallos Species Gorgoniidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7445 Pteris prolifera Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25390 Pterocarpus grandiflorus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23691 Pyrosoma giganteum Species Pyrosomatidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24675 Quercus aegilops Species Fagaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24291 Rhizobium phaseoli Species Rhizobiaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO6714 Securidaca inappendiculata Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25045 Senecio squalidus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25258 Seriphidium cinum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28665 Sesbania punicea Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24987 Simira eliezeriana Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20823 Stenostomum lucidum Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24599 Streptomyces althioticus Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO25623 Taxodium mucronatum Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2406 Thermus thermophilus Species Thermaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO25699 Vitex madiensis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26277 Euphorbia hirta Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3854 Ruta graveolens Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO30190 Citrus aurantifolia Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11785 Citrus hassaku Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13749 Luvunga scandens Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19586 Bougainvillea glabra Species Nyctaginaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13608 Plumbago zeylanica Species Plumbaginaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19127 Citrus tankan Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO27010 Halosaccion ramentaceum Species Palmariaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26797 Laurencia glandulifera Species Rhodomelaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24771 Boenninghausenia albiflora Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18714 Rauvolfia verticillata Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29030 Zanthoxylum americanum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23557 Zanthoxylum ailanthoides Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2629 Cystoseira caespitosa Species Sargassaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1117 Hypholoma capnoides Species Strophariaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24248.1 Lactarius deliciosus var. deterrimus Varieties Russulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9366 Rosa transmorrisonensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18677 Anagallis arvensis Species Primulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19014 Palythoa tuberculosa Species Sphenopidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14773 Uncaria perrottetii Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17479 Aconitum tanguticum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18478 Vernonia scorpioides Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19389 Roemeria refracta Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8240 Opuntia vulgaris Species Cactaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10468 Ficus beecheyana Species Ficidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3973 Flammulina velutipes Species Physalacriaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13075 Gustavia hexapetala Species Lecythidaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5904 Grindelia humilis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11978 Tanacetum argyrophyllum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18809 Lyophyllum connatum Species Lyophyllaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO27048 Pyropia tenera Species Bangiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO319 Citrus limon Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Bark n.a. n.a. Database[FooDB]
NPO319 Citrus limon Species Rutaceae Eukaryota Essential Oil n.a. n.a. Database[FooDB]
NPO319 Citrus limon Species Rutaceae Eukaryota Flower n.a. n.a. Database[FooDB]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO319 Citrus limon Species Rutaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Fruit Juice n.a. n.a. Database[FooDB]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota Leaf Essent. Oil n.a. n.a. Database[FooDB]
NPO319 Citrus limon Species Rutaceae Eukaryota Leaf Essent. Oil n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Pericarp n.a. n.a. Database[FooDB]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO319 Citrus limon Species Rutaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Root Bark n.a. n.a. Database[FooDB]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO3973 Flammulina velutipes Species Physalacriaceae Eukaryota n.a. n.a. Database[FooDB]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO319 Citrus limon Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17479 Aconitum tanguticum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7828 Citrus tachibana Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15730.1 Citrus medica var. etrog Varieties Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO319 Citrus limon Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26277 Euphorbia hirta Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19127 Citrus tankan Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO24771 Boenninghausenia albiflora Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO3854 Ruta graveolens Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO6714 Securidaca inappendiculata Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO23557 Zanthoxylum ailanthoides Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25258 Seriphidium cinum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO13608 Plumbago zeylanica Species Plumbaginaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9078 Piper hancei Species Piperaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25623 Taxodium mucronatum Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO18714 Rauvolfia verticillata Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14773 Uncaria perrottetii Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO18265 Citrus tamurana Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11785 Citrus hassaku Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO24178 Citrus rugulosa Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9955 Citrus jambhiri Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25359 Isodon kameba Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29030 Zanthoxylum americanum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO30190 Citrus aurantifolia Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22736 Drosera peltata Species Droseraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25045 Senecio squalidus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO13749 Luvunga scandens Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8240 Opuntia vulgaris Species Cactaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO319 Citrus limon Species Rutaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO319 Citrus limon Species Rutaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO24771 Boenninghausenia albiflora Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO319 Citrus limon Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18265 Citrus tamurana Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO27048 Pyropia tenera Species Bangiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3854 Ruta graveolens Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13608 Plumbago zeylanica Species Plumbaginaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15117 Chromolaena odorata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9955 Citrus jambhiri Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25359 Isodon kameba Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23557 Zanthoxylum ailanthoides Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19127 Citrus tankan Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7828 Citrus tachibana Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9078 Piper hancei Species Piperaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO6714 Securidaca inappendiculata Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29030 Zanthoxylum americanum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11785 Citrus hassaku Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO24178 Citrus rugulosa Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17479 Aconitum tanguticum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25045 Senecio squalidus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18714 Rauvolfia verticillata Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25258 Seriphidium cinum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22736 Drosera peltata Species Droseraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8797 Cudrania tricuspidata Species Moraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15730.1 Citrus medica var. etrog Varieties Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18677 Anagallis arvensis Species Primulaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25623 Taxodium mucronatum Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26277 Euphorbia hirta Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8240 Opuntia vulgaris Species Cactaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14773 Uncaria perrottetii Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13749 Luvunga scandens Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO24771 Boenninghausenia albiflora Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO3854 Ruta graveolens Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO319 Citrus limon Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO19127 Citrus tankan Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO29030 Zanthoxylum americanum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO25258 Seriphidium cinum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO29030 Zanthoxylum americanum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[Title]
NPO26277 Euphorbia hirta Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO20823 Stenostomum lucidum Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24383 Ficus formosana Species Moraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13834 Lecidea carpathica Species Lecideaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23567 Coccus fagi Species Coccidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7552 Alligator mississippiensis Species Alligatoridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22194 Kaempferia pulchra Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23557 Zanthoxylum ailanthoides Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2629 Cystoseira caespitosa Species Sargassaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23691 Pyrosoma giganteum Species Pyrosomatidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7445 Pteris prolifera Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24929 Aria pallescens Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6098 Salvia officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23805 Arnica nevadensis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19127 Citrus tankan Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22736 Drosera peltata Species Droseraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19389 Roemeria refracta Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24218 Fusarium gibbosum Species Nectriaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24987 Simira eliezeriana Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26105 Panax spinosus Species Araliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24511 Dipterocarpus alatus Species Dipterocarpaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18478 Vernonia scorpioides Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25529 Bursaria spinosa Species Pittosporaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6714 Securidaca inappendiculata Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9980 Salvia lasiantha Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15117 Chromolaena odorata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25291 Lactarius scrobiculatus Species Russulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24744 Chloranthus tianmushanensis Species Chloranthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26128 Clonostachys rosea Species Bionectriaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24068 Prunus laurocerasus Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25471 Chromolaena pulchella Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1794 Ilex affinis Species Aquifoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25258 Seriphidium cinum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9366 Rosa transmorrisonensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24599 Streptomyces althioticus Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO24291 Rhizobium phaseoli Species Rhizobiaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO24475 Aceriphyllum rossii n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO25415 Pseudopterogorgia kallos Species Gorgoniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24248.1 Lactarius deliciosus var. deterrimus Varieties Russulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23453 Pheidole pallidula Species Formicidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25144 Artemisia monogyna Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24556 Bassia butyracea Species Abylidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27048 Pyropia tenera Species Bangiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25326 Dendrosenecio kilimanjari Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25187 Cladonia evansii Species Cladoniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25234 Epaltes gariepina Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18352 Anaxagorea clavata Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25671 Gardenia fosbergii Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25699 Vitex madiensis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17344 Strychnos henningsii Species Loganiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13075 Gustavia hexapetala Species Lecythidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13749 Luvunga scandens Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26042 Agnorhiza bolanderi Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25623 Taxodium mucronatum Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25390 Pterocarpus grandiflorus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26277 Euphorbia hirta Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25090 Araujia sericifera Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14773 Uncaria perrottetii Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11785 Citrus hassaku Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24640 Echinops amplexicaulis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20833 Beyeria brevifolia Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3026 Strophanthus hispidus Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18809 Lyophyllum connatum Species Lyophyllaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24830 Prosopis glandulosa Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25359 Isodon kameba Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18724 Polyalthia stenopetala Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19014 Palythoa tuberculosa Species Sphenopidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28665 Sesbania punicea Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13608 Plumbago zeylanica Species Plumbaginaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13451 Pseudotsuga japonica Species Pinaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24771 Boenninghausenia albiflora Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29030 Zanthoxylum americanum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9537 Bauhinia racemosa Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24675 Quercus aegilops Species Fagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23963 Odixia angusta Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18218 Acanthophyllum sordidum Species Caryophyllaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25045 Senecio squalidus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9078 Piper hancei Species Piperaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12356 Aphelandra chamissoniana Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2962 Curvularia spicifera Species Pleosporaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3973 Flammulina velutipes Species Physalacriaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10468 Ficus beecheyana Species Ficidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18677 Anagallis arvensis Species Primulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24178 Citrus rugulosa Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27114 Aconitum habaense Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17479 Aconitum tanguticum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5904 Grindelia humilis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1117 Hypholoma capnoides Species Strophariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO319 Citrus limon Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19586 Bougainvillea glabra Species Nyctaginaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13341 Bryopsis pennata Species Bryopsidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8240 Opuntia vulgaris Species Cactaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2852 Cirsium canum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6547 Podocarpus henckelii Species Podocarpaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27010 Halosaccion ramentaceum Species Palmariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19815 Earias insulana Species Nolidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11978 Tanacetum argyrophyllum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12094 Cyclamen balearicum Species Primulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2406 Thermus thermophilus Species Thermaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO24877 Maianthemum stellatum Species Asparagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26797 Laurencia glandulifera Species Rhodomelaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8797 Cudrania tricuspidata Species Moraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18265 Citrus tamurana Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9955 Citrus jambhiri Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7828 Citrus tachibana Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]

Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].



  NP Quantity Composition/Concentration

Organism ID Organism Name Organism Material Preparation Organism Part NP Quantity (Standard) NP Quantity (Minimum) NP Quantity (Maximum) Quantity Unit Reference
NPO19787 Citrus sinensis Raw Root Bark 4500 4500 4500 mg/100g Database [DUKE]

Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].



 Biological Activity

Molecular-level activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1224 Individual protein Glyceraldehyde-3-phosphate dehydrogenase liver Homo sapiens IC50 = 194984.46 nM PMID[15081008]
NPT204 Individual protein Acetylcholinesterase Homo sapiens IC50 = 150000.0 nM PMID[11374978]
NPT149 Individual protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT2741 Individual protein Pyruvate kinase Leishmania mexicana Potency = 25118.9 nM PubChem BioAssay data set
NPT151 Individual protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT152 Individual protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency n.a. 18356.4 nM PubChem BioAssay data set
NPT135 Individual protein Chromobox protein homolog 1 Homo sapiens Potency n.a. 100000.0 nM PubChem BioAssay data set
NPT156 Individual protein Sphingomyelin phosphodiesterase Homo sapiens Potency n.a. 31622.8 nM PubChem BioAssay data set
NPT101 Individual protein Glucagon-like peptide 1 receptor Homo sapiens Potency n.a. 11220.2 nM PubChem BioAssay data set
NPT11 Individual protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency n.a. 50118.7 nM PubChem BioAssay data set
NPT157 Individual protein Breast cancer type 1 susceptibility protein Homo sapiens Potency n.a. 35481.3 nM PubChem BioAssay data set
NPT233 Individual protein Carbonic anhydrase II Homo sapiens Ki > 100000.0 nM PMID[22892213]
NPT3101 Individual protein Carbonic anhydrase XIII Homo sapiens Ki = 8360.0 nM PMID[22892213]
NPT537 Individual protein Ras-related protein Rab-9A Homo sapiens Potency = 5011.9 nM PubChem BioAssay data set
NPT955 Individual protein Carbonic anhydrase VII Homo sapiens Ki = 9180.0 nM PMID[22892213]
NPT717 Individual protein Fructose-bisphosphate aldolase Mycobacterium tuberculosis IC50 > 1111.0 nM PubChem BioAssay data set
NPT72 Individual protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 85.95 % PMID[23571415]
NPT48 Individual protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT48 Individual protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT94 Individual protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT538 Individual protein Niemann-Pick C1 protein Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT484 Individual protein Luciferin 4-monooxygenase Photinus pyralis Potency n.a. 10691.0 nM PubChem BioAssay data set
NPT740 Individual protein Beta-secretase 1 Homo sapiens IC50 > 500000.0 nM PMID[22222157]
NPT740 Individual protein Beta-secretase 1 Homo sapiens Inhibition = 37.2 % PMID[22222157]
NPT73 Individual protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 75.53 % PMID[23571415]
NPT93 Individual protein Survival motor neuron protein Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT51 Individual protein Microtubule-associated protein tau Homo sapiens Potency = 44668.4 nM PubChem BioAssay data set
NPT59 Individual protein DNA polymerase beta Homo sapiens Potency = 79432.8 nM PubChem BioAssay data set
NPT478 Individual protein Ataxin-2 Homo sapiens Potency n.a. 15003.0 nM PubChem BioAssay data set
NPT949 Individual protein Carbonic anhydrase XII Homo sapiens Ki = 25700.0 nM PMID[22892213]
NPT948 Individual protein Carbonic anhydrase IX Homo sapiens Ki = 7510.0 nM PMID[22892213]
NPT861 Individual protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency n.a. 29092.9 nM PubChem BioAssay data set
NPT920 Individual protein Alpha-synuclein Homo sapiens Potency n.a. 5623.4 nM PubChem BioAssay data set
NPT536 Nucleic acid microRNA 21 Homo sapiens Potency = 13091.8 nM PubChem BioAssay data set
NPT442 Individual protein Ferritin light chain Equus caballus Potency = 5011.9 nM PubChem BioAssay data set
NPT442 Individual protein Ferritin light chain Equus caballus Potency = 31622.8 nM PubChem BioAssay data set
NPT539 Individual protein Cellular tumor antigen p53 Homo sapiens Potency = 10000.0 nM PubChem BioAssay data set
NPT539 Individual protein Cellular tumor antigen p53 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT64 Individual protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency n.a. 23099.9 nM PubChem BioAssay data set
NPT84 Individual protein Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus AC50 = 8649.0 nM PubChem BioAssay data set
NPT947 Individual protein Carbonic anhydrase I Homo sapiens Ki = 21500.0 nM PMID[22892213]

In vitro activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell line P388 Mus musculus GI50 > 10.0 ug.mL-1 PMID[15217278]
NPT1081 Cell line BXPC-3 Homo sapiens GI50 = 5.5 ug.mL-1 PMID[15217278]
NPT83 Cell line MCF7 Homo sapiens GI50 = 5.9 ug.mL-1 PMID[15217278]
NPT395 Cell line SF-268 Homo sapiens GI50 = 11.2 ug.mL-1 PMID[15217278]
NPT397 Cell line NCI-H460 Homo sapiens GI50 = 9.0 ug.mL-1 PMID[15217278]
NPT575 Cell line KM-20L2 Homo sapiens GI50 = 6.3 ug.mL-1 PMID[15217278]
NPT90 Cell line DU-145 Homo sapiens GI50 = 2.9 ug.mL-1 PMID[15217278]
NPT189 Cell line Vero Chlorocebus aethiops IC50 > 20.0 ug.mL-1 PMID[8021652]
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency n.a. 18526.0 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency n.a. 8275.3 nM PubChem BioAssay data set
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC12 = 52.0 ug ml-1 PMID[8021652]
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC12 = 87.0 ug ml-1 PMID[8021652]
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC12 = 318.0 ug ml-1 PMID[8021652]
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC12 = 21.0 ug ml-1 PMID[8021652]
NPT20529 Non-molecular NON-PROTEIN TARGET n.a. IC50 = 4.1 ug.mL-1 PMID[19128011]
NPT20529 Non-molecular NON-PROTEIN TARGET n.a. IC50 = 5.53 ug.mL-1 PMID[19128011]
NPT20529 Non-molecular NON-PROTEIN TARGET n.a. EC50 = 8000.0 nM PMID[27420919]
NPT35 Others n.a. n.a. IC50 = 5655.0 nM PubChem BioAssay data set
NPT2 Others Unspecified n.a. Potency n.a. 2511.9 nM PubChem BioAssay data set
NPT2 Others Unspecified n.a. Potency n.a. 2238.7 nM PubChem BioAssay data set
NPT2 Others Unspecified n.a. Potency n.a. 25118.9 nM PubChem BioAssay data set

In vivo activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference





 Experimental ADME

Experiment Model Experiment Tissue ADME Type ADME Relation ADME Value ADME Unit Reference





 Experimental Toxicity

Quantitative toxicity

Experiment Model Experiment Organism Toxicity Type Toxicity Relation Toxicity Value Toxicity Unit Reference

Common Abbreviations:
LC: Lethal Concentration; LD: Lethal Dose; LT:Lethal Time; NOAEL: No-observed-adverse-effect Level; BMDL: Benchmark Dose Lower Confidence Limit; BMD: Benchmark Dose; BMC:Benchmark Concentration; LOAEL: Lowest Observed Adverse Effect Level; RfD:Reference Dose; RfC:Reference Concentration; MRL: Minimal Risk Level; MEG: Maximum Exposure Guideline; PAC: Protective Action Criteria

Categorical toxicity labels

Hepatotoxicity Carcinogenicity Mutagenicity Cardiotoxicity Respiratory Toxicity Eye Irritation Endocrine Disruption
Hepatotoxicity Carcinogenicity Mutagenicity Cardiotoxicity Respiratory Toxicity Eye Irritation Endocrine Disruption

Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP toxicity records from domain-specific databases. These databases include:
☉ ToxValDB: a curated database that compiles quantitative toxicity values for chemicals from diverse public sources to support toxicological research and risk assessment.
☉ TOXRIC: a comprehensive, free-to-access, online database providing toxicological/feature data. The toxicity labels are retrieved from this database. [PMID: 36400569]


  Chemically structural similarity

Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes approximately 50,000 NPs with experimentally-derived bioactivity available in NPASS)

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.

●  The left chart: Distribution of similarity level between NPC257188 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.5 or Top200).

Similarity Score Similarity Level Natural Product ID
0.6491 Remote Similarity NPC157212
0.625 Remote Similarity NPC123954
0.614 Remote Similarity NPC154176
0.5893 Remote Similarity NPC13007
0.5862 Remote Similarity NPC290605
0.5846 Remote Similarity NPC482701
0.5614 Remote Similarity NPC111347
0.5556 Remote Similarity NPC605579
0.5424 Remote Similarity NPC78746
0.5345 Remote Similarity NPC248429
0.5333 Remote Similarity NPC173350
0.5333 Remote Similarity NPC76753
0.5312 Remote Similarity NPC472462
0.5156 Remote Similarity NPC17262
0.5082 Remote Similarity NPC167517
0.5082 Remote Similarity NPC236419
0.5077 Remote Similarity NPC272194

Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC257188 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
NPD

Bioactivity similarity

  Bioactivity similarity

Similar Natural Products in NPASS

Similarity level is defined by Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.
Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity
B: biological targets similarity
C: networks similarity
D: cell-based bioactivity similarity
E: similarity based on clinical data