Structure

Physi-Chem Properties

Molecular Weight:  216.04
Volume:  209.781
LogP:  2.071
LogD:  2.333
LogS:  -3.686
# Rotatable Bonds:  1
TPSA:  52.58
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  4

MedChem Properties

QED Drug-Likeness Score:  0.586
Synthetic Accessibility Score:  2.521
Fsp3:  0.083
Lipinski Rule-of-5:  Accepted
Pfizer Rule:  Accepted
GSK Rule:  Accepted
BMS Rule:  0
Golden Triangle Rule:  Accepted
Chelating Alert:  0
PAINS Alert:  0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:  -4.695
MDCK Permeability:  3.0562739993911237e-05
Pgp-inhibitor:  0.006
Pgp-substrate:  0.003
Human Intestinal Absorption (HIA):  0.007
20% Bioavailability (F20%):  0.007
30% Bioavailability (F30%):  0.724

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):  0.035
Plasma Protein Binding (PPB):  82.96257781982422%
Volume Distribution (VD):  0.657
Pgp-substrate:  13.216200828552246%

ADMET: Metabolism

CYP1A2-inhibitor:  0.989
CYP1A2-substrate:  0.891
CYP2C19-inhibitor:  0.472
CYP2C19-substrate:  0.082
CYP2C9-inhibitor:  0.242
CYP2C9-substrate:  0.744
CYP2D6-inhibitor:  0.787
CYP2D6-substrate:  0.642
CYP3A4-inhibitor:  0.744
CYP3A4-substrate:  0.201

ADMET: Excretion

Clearance (CL):  13.332
Half-life (T1/2):  0.772

ADMET: Toxicity

hERG Blockers:  0.034
Human Hepatotoxicity (H-HT):  0.79
Drug-inuced Liver Injury (DILI):  0.955
AMES Toxicity:  0.268
Rat Oral Acute Toxicity:  0.174
Maximum Recommended Daily Dose:  0.23
Skin Sensitization:  0.183
Carcinogencity:  0.89
Eye Corrosion:  0.004
Eye Irritation:  0.096
Respiratory Toxicity:  0.878

Download Data

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

  Natural Product: NPC33320

Natural Product ID:  NPC33320
Common Name*:   Methoxsalen
IUPAC Name:   9-methoxyfuro[3,2-g]chromen-7-one
Synonyms:   8-Methoxypsoralen; 8-MOP; Deltasoralen; Meladinine; Methoxsalen; Oxsoralen; Oxsoralen-Ultra; Puvasoralen-8; Uvadex; Xanthotoxin
Standard InCHIKey:  QXKHYNVANLEOEG-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
SMILES:  COc1c2c(cco2)cc2ccc(=O)oc12
Synthetic Gene Cluster:   n.a.
ChEMBL Identifier:   CHEMBL416
PubChem CID:   4114
Chemical Classification**:  
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000261] Phenylpropanoids and polyketides
      • [CHEMONTID:0000145] Coumarins and derivatives
        • [CHEMONTID:0000358] Furanocoumarins
          • [CHEMONTID:0002569] Linear furanocoumarins
            • [CHEMONTID:0000202] Psoralens
              • [CHEMONTID:0002833] 8-methoxypsoralens

*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. DOI[10.1016/0045-6535(91)90110-Y]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.jfca.2004.07.004]
NPO26721 Apium graveolens Species Apiaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.jfca.2004.07.004]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.jfca.2005.08.001]
NPO26721 Apium graveolens Species Apiaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.jfca.2005.08.001]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. retail stores, supermarkets and market stalls in Forssa and in the Helsinki area 2003–2005 DOI[10.1016/j.jfca.2006.05.007]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. root n.a. DOI[10.5012/bkcs.2003.24.11.1699]
NPO24066 0cardia brasiliensis Species 0cardiaceae Bacteria n.a. n.a. n.a. PMID[10092191]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. 1996-Sep PMID[10352947]
NPO26721 Apium graveolens Species Apiaceae Eukaryota n.a. n.a. 1996-Sep PMID[10352947]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. callus n.a. PMID[10552648]
NPO24066 0cardia brasiliensis Species 0cardiaceae Bacteria n.a. n.a. n.a. PMID[10724012]
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota n.a. fruit n.a. PMID[10785419]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. root n.a. PMID[11374978]
NPO10830 Dictamnus dasycarpus Species Rutaceae Eukaryota Root barks n.a. n.a. PMID[11473427]
NPO28843 Astragalus zahlbruckneri Species Fabaceae Eukaryota Roots n.a. n.a. PMID[11575952]
NPO24786 Eunicea pinta Species Plexauridae Eukaryota n.a. n.a. n.a. PMID[12350138]
NPO2060 Garcinia parvifolia Species Clusiaceae Eukaryota n.a. n.a. n.a. PMID[12494345]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. root n.a. PMID[12510838]
NPO3854 Ruta graveolens Species Rutaceae Eukaryota leaves n.a. n.a. PMID[12568545]
NPO1145 Coussarea paniculata Species Rubiaceae Eukaryota twigs n.a. n.a. PMID[12662105]
NPO16675 Peucedanum japonicum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[1453177]
NPO7090 Ammi majus Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[15009205]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. root n.a. PMID[15646793]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[15679317]
NPO22193 Ophioglossum petiolatum Species Ophioglossaceae Eukaryota n.a. whole plant n.a. PMID[15787440]
NPO24066 0cardia brasiliensis Species 0cardiaceae Bacteria n.a. n.a. n.a. PMID[15787462]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[15877880]
NPO20454 Bidens pilosa Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[16041399]
NPO21056 Angelica keiskei Species Apiaceae Eukaryota exudates n.a. n.a. PMID[16441065]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota roots purchased from Kiu Shun Trading Ltd., Vancouver, Canada 2000 PMID[16643021]
NPO28797 Hypoxylon carneum Species Xylariaceae Eukaryota n.a. n.a. n.a. PMID[16933875]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota n.a. leaf n.a. PMID[17125224]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. root n.a. PMID[17238120]
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[17703773]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. root n.a. PMID[17997069]
NPO10830 Dictamnus dasycarpus Species Rutaceae Eukaryota root bark n.a. n.a. PMID[18198838]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. leaf n.a. PMID[18214349]
NPO30150 Psoralea corylifolia Species Fabaceae Eukaryota seeds n.a. n.a. PMID[18359631]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. root n.a. PMID[18405608]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[18460139]
NPO26721 Apium graveolens Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[18460139]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. Northeastern Regional Plant Introduction Station at Geneva 1966, 1967, and 1968 crop seasons PMID[18460139]
NPO21056 Angelica keiskei Species Apiaceae Eukaryota stems n.a. n.a. PMID[18558745]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. root n.a. PMID[18661821]
NPO3854 Ruta graveolens Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[19191562]
NPO26721 Apium graveolens Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[19778086]
NPO28809 Cullen corylifolium Species Fabaceae Eukaryota n.a. fruit n.a. PMID[20663508]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. seed n.a. PMID[21049975]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21417376]
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21625478]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21625478]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21627108]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. root n.a. PMID[21657081]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21800857]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21800857]
NPO26721 Apium graveolens Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21800857]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21800857]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. exocarp n.a. PMID[21800857]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. root n.a. PMID[21800857]
NPO21056 Angelica keiskei Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21824777]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota Fruits n.a. n.a. PMID[22703163]
NPO15394 Angelica decursiva Species Apiaceae Eukaryota n.a. root n.a. PMID[22784551]
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota fruits n.a. n.a. PMID[22932311]
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota n.a. fruit n.a. PMID[23721280]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota Fruits n.a. n.a. PMID[24328283]
NPO28809 Cullen corylifolium Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[24507928]
NPO23289 Heracleum sphondylium Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[24697288]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. aerial part n.a. PMID[24704554]
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[24813739]
NPO15394 Angelica decursiva Species Apiaceae Eukaryota n.a. root n.a. PMID[25068578]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[25538068]
NPO30150 Psoralea corylifolia Species Fabaceae Eukaryota Fruits n.a. n.a. PMID[25710081]
NPO21056 Angelica keiskei Species Apiaceae Eukaryota stems n.a. n.a. PMID[25891102]
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota n.a. leaf n.a. PMID[27019553]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[27400088]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota leaves n.a. n.a. PMID[27400231]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[27444348]
NPO3854 Ruta graveolens Species Rutaceae Eukaryota Whole Plants n.a. n.a. PMID[28093914]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[2831703]
NPO7171 Salvia polystachya Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[29135252]
NPO40718 Indian beech tree Strain n.a. n.a. n.a. n.a. n.a. PMID[30108931]
NPO30150 Psoralea corylifolia Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[3069958]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota Roots n.a. n.a. PMID[31464439]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[32935986]
NPO20454 Bidens pilosa Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[469551]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[6821187]
NPO18650 Carassius auratus Species Cyprinidae Eukaryota n.a. n.a. n.a. PMID[6880243]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. root n.a. PMID[7700984]
NPO30150 Psoralea corylifolia Species Fabaceae Eukaryota n.a. seed n.a. PMID[8759164]
NPO24066 0cardia brasiliensis Species 0cardiaceae Bacteria n.a. n.a. n.a. PMID[9066761]
NPO24066 0cardia brasiliensis Species 0cardiaceae Bacteria n.a. n.a. n.a. PMID[9249977]
NPO24066 0cardia brasiliensis Species 0cardiaceae Bacteria n.a. n.a. n.a. PMID[9510911]
NPO28809 Cullen corylifolium Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[9544566]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. n.a. n.a. Database[Article]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Root Essent. Oil n.a. n.a. Database[FooDB]
NPO26721 Apium graveolens Species Apiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO42013 Foeniculum vulgare Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO26721 Apium graveolens Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO26721 Apium graveolens Species Apiaceae Eukaryota Leaf Wax n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO42013 Foeniculum vulgare Species Apiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO26721 Apium graveolens Species Apiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO26721 Apium graveolens Species Apiaceae Eukaryota Seed Essent. Oil n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Roots n.a. Database[FooDB]
NPO26721 Apium graveolens Species Apiaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Roots n.a. Database[FooDB]
NPO42013 Foeniculum vulgare Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO26721 Apium graveolens Species Apiaceae Eukaryota Pt n.a. n.a. Database[FooDB]
NPO26721 Apium graveolens Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO26721 Apium graveolens Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO26721 Apium graveolens Species Apiaceae Eukaryota Roots n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Tissue Culture n.a. n.a. Database[FooDB]
NPO26721 Apium graveolens Species Apiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO42013 Foeniculum vulgare Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO21056 Angelica keiskei Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO23289 Heracleum sphondylium Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO10830 Dictamnus dasycarpus Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11015 Zanthoxylum echinocarpum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8471 Angelica taiwaniana Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO6190 Angelica archangelica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO12746 Pleurospermum rivulorum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO31173 Ruta sp Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO24780 Oppopanax chironium n.a. n.a. n.a. n.a. n.a. n.a. Database[HerDing]
NPO662 Angelica officinalis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15394 Angelica decursiva Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25033 Pyrola calliantha Species Ericaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO12662 Torilis japonica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO21056 Angelica keiskei Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8240 Opuntia vulgaris Species Cactaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16027 Niphogeton ternata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26721 Apium graveolens Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO5107 Rapanea umbellata Species Primulaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO30150 Psoralea corylifolia Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25414 Solanum berthaultii Species Solanaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9078 Piper hancei Species Piperaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7090 Ammi majus Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15738 Heracleum mantegazzianum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29729 Fagara sp n.a. n.a. n.a. n.a. n.a. n.a. Database[HerDing]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO18650 Carassius auratus Species Cyprinidae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO3854 Ruta graveolens Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO26721 Apium graveolens Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO42013 Foeniculum vulgare Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7171 Salvia polystachya Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16675 Peucedanum japonicum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO662 Angelica officinalis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15394 Angelica decursiva Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23289 Heracleum sphondylium Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9655 Radix adenophorae Species Lymnaeidae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15738 Heracleum mantegazzianum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8240 Opuntia vulgaris Species Cactaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16027 Niphogeton ternata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25911 Fagara sp. Species n.a. n.a. n.a. n.a. n.a. Database[TCMID]
NPO12662 Torilis japonica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO6190 Angelica archangelica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11015 Zanthoxylum echinocarpum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7090 Ammi majus Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8471 Angelica taiwaniana Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25414 Solanum berthaultii Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21056 Angelica keiskei Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26721 Apium graveolens Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18650 Carassius auratus Species Cyprinidae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5107 Rapanea umbellata Species Primulaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9078 Piper hancei Species Piperaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3854 Ruta graveolens Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO1470 Fructus psoraleae corylifoliae n.a. n.a. n.a. n.a. n.a. n.a. Database[TCMID]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25033 Pyrola calliantha Species Ericaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO24780 Oppopanax chironium n.a. n.a. n.a. n.a. n.a. n.a. Database[TCMID]
NPO10830 Dictamnus dasycarpus Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12746 Pleurospermum rivulorum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2658 Eriosema kraussianum Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28809 Cullen corylifolium Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2934 Ruta sp. Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO6190 Angelica archangelica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO163 Daucus carota 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]
NPO7090 Ammi majus Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO22273 Angelica pubescens Species Apiaceae 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]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO26721 Apium graveolens Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO18650 Carassius auratus Species Cyprinidae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO10830 Dictamnus dasycarpus Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO25033 Pyrola calliantha Species Ericaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO30713 Angelica talwaniana Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO15394 Angelica decursiva Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO30150 Psoralea corylifolia Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO3127 Aralia continentalis Species Araliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO900 Cnidium monieri Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO12662 Torilis japonica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO15394 Angelica decursiva Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO15544 Cnidium monnieri Species Apiaceae 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]
NPO28809 Cullen corylifolium Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO10830 Dictamnus dasycarpus Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO16675 Peucedanum japonicum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9980 Salvia lasiantha Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16027 Niphogeton ternata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11015 Zanthoxylum echinocarpum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10416 Macaranga denticulata Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5423 Gloeophyllum sepiarium Species Gloeophyllaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22193 Ophioglossum petiolatum Species Ophioglossaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8827 Kniphofia tuckii Species Asphodelaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5451 Ageratina saltillensis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24984 Hydrocotyle leucocephala Species Araliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8240 Opuntia vulgaris Species Cactaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10614 Pinus krempfii Species Pinaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25414 Solanum berthaultii Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6547 Podocarpus henckelii Species Podocarpaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13482 Nierembergia hippomanica Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2815 Schenkia spicata Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9382 Esperiopsis edwardii Species Esperiopsidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5107 Rapanea umbellata Species Primulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24786 Eunicea pinta Species Plexauridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10979 Azotobacter chroococcum Species Pseudomonadaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO12210 Hypoxylon sclerophaeum Species Xylariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12662 Torilis japonica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16296 Macrococculus pomiferus Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25233 Crocodylus niloticus Species Crocodylidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11119 Salta triflora Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25289 Lonchocarpus salvadorensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10808 Myelois cribrella Species Pyralidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15738 Heracleum mantegazzianum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26721 Apium graveolens Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10830 Dictamnus dasycarpus Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2658 Eriosema kraussianum Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25563 Axinella cannabina Species Axinellidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8471 Angelica taiwaniana Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7171 Salvia polystachya Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21056 Angelica keiskei Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24203 Sphoeroides vermicularis Species Tetraodontidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12569 Trixis inula Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20454 Bidens pilosa 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]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9078 Piper hancei Species Piperaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6138 Ajania fastigiata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23383 Nigritella suaveolens n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO1117 Hypholoma capnoides Species Strophariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1145 Coussarea paniculata Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7487 Antidesma membranaceum Species Phyllanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10183 Pinus peuce Species Pinaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8564 Cornicularia normoerica Species Parmeliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24637 Oyedaea verbesinoides Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6521 Quercus sessilis Species Fagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28843 Astragalus zahlbruckneri Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7876 Axinella polycapella Species Axinellidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23289 Heracleum sphondylium Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7329 Ligularia pleurocaulis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6702 Odontosyllis undecimdonta Species Syllidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2629 Cystoseira caespitosa Species Sargassaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25033 Pyrola calliantha Species Ericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2060 Garcinia parvifolia Species Clusiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7966 Grewia villosa Species Malvaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7090 Ammi majus Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19815 Earias insulana Species 0lidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3127 Aralia continentalis Species Araliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6190 Angelica archangelica Species Apiaceae 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]
NPO12722 Ambrosia arborescens Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11154 Hygrophila spinosa Species n.a. Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24066 0cardia brasiliensis Species 0cardiaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO15394 Angelica decursiva Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11846 Ulosa spongia Species Dictyonellidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28809 Cullen corylifolium Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2852 Cirsium canum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9329 Acanthus montanus Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28797 Hypoxylon carneum Species Xylariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3560 Trifolium montanum Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5799 Streptomyces chryseus Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO16614 Zanthoxylum spinosum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11834 Trachyopsis halichondrioides n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO18650 Carassius auratus Species Cyprinidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16696 Cryptodiscus didymus Species Stictidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1329 Esenbeckia hartmanii Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16675 Peucedanum japonicum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO662 Angelica officinalis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2406 Thermus thermophilus Species Thermaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24554 Hymenocallis speciosa Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9564 Annona haematantha Species Annonaceae 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 NP ID Organism Material Preparation Organism Part NP Quantity (Standard) NP Quantity (Minimum) NP Quantity (Maximum) Quantity Unit Reference
NPO25369 NPC33320 Other Fruit 0.05 0 0.1 mg/100g Database [DUKE]
NPO5954 NPC33320 Raw Fruit 0.25 0 0.5 mg/100g Database [DUKE]
NPO26721 NPC33320 Raw Leaf 0.05 0 0.1 mg/100g Database [DUKE]
NPO13642 NPC33320 Raw Leaf 80 80 80 mg/100g Database [DUKE]
NPO26721 NPC33320 Raw Pt 0.0325 0.004 0.061 mg/100g Database [DUKE]
NPO163 NPC33320 Raw Root 0.03 0.03 0.03 mg/100g Database [DUKE]
NPO13642 NPC33320 Raw Root 51.3 2.6 100 mg/100g Database [DUKE]
NPO42013 NPC33320 Other (raw) Seed 0.05 0 0.1 mg/100g Database [DUKE]
NPO163 NPC33320 Raw Shoot 0.16 0.16 0.16 mg/100g Database [DUKE]
NPO5954 NPC33320 Raw Shoot 14.6 0.3 28.9 mg/100g Database [DUKE]
NPO5954 NPC33320 Dried Or Powder n.a. 3.487500027 n.a. n.a. mg/100g Database [PHENOL EXPLORER]
NPO26721 NPC33320 Raw n.a. 0.757428578 n.a. n.a. mg/100g Database [PHENOL EXPLORER]
NPO5954 NPC33320 Raw n.a. 1.539999962 n.a. n.a. mg/100g Database [PHENOL EXPLORER]
NPO26721 NPC33320 n.a. n.a. 0.75286 n.a. n.a. mg/100g of FW Database [Phenol-Explorer]
NPO5954 NPC33320 n.a. n.a. 1.54 n.a. n.a. mg/100g of FW Database [Phenol-Explorer]
NPO5954 NPC33320 n.a. n.a. 3.4875 n.a. n.a. mg/100g of FW Database [Phenol-Explorer]

☑ 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

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT453 Cell Line HT-1080 Homo sapiens IC50 = 7800.0 nM PMID[494793]
NPT453 Cell Line HT-1080 Homo sapiens IC50 = 2100.0 nM PMID[494793]
NPT453 Cell Line HT-1080 Homo sapiens IC50 = 1500.0 nM PMID[494793]
NPT1490 Cell Line Ehrlich Mus musculus Du = 0.0116 n.a. PMID[494794]
NPT1490 Cell Line Ehrlich Mus musculus Relative activity = 1.0 n.a. PMID[494794]
NPT1490 Cell Line Ehrlich Mus musculus Du = 0.0018 n.a. PMID[494794]
NPT165 Cell Line HeLa Homo sapiens IC50 > 20000.0 nM PMID[494796]
NPT165 Cell Line HeLa Homo sapiens IC50 = 10000.0 nM PMID[494796]
NPT116 Cell Line HL-60 Homo sapiens IC50 > 20000.0 nM PMID[494796]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 5400.0 nM PMID[494796]
NPT2589 Cell Line Panel leukemia (Carcinoma cell lines) Homo sapiens IC50 > 100000.0 nM PMID[494797]
NPT2589 Cell Line Panel leukemia (Carcinoma cell lines) Homo sapiens IC50 = 100000.0 nM PMID[494797]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 750.0 nM PMID[494799]
NPT165 Cell Line HeLa Homo sapiens IC50 = 3160.0 nM PMID[494799]
NPT762 Cell Line A-431 Homo sapiens IC50 = 2480.0 nM PMID[494799]
NPT2592 Individual Protein Voltage-gated potassium channel subunit Kv1.1 Homo sapiens BK = 5.0 % PMID[494802]
NPT2592 Individual Protein Voltage-gated potassium channel subunit Kv1.1 Homo sapiens Selectivity = 4.0 n.a. PMID[494802]
NPT165 Cell Line HeLa Homo sapiens IC50 > 20000.0 nM PMID[494804]
NPT165 Cell Line HeLa Homo sapiens IC50 = 10000.0 nM PMID[494804]
NPT116 Cell Line HL-60 Homo sapiens IC50 > 20000.0 nM PMID[494804]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 5400.0 nM PMID[494804]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 5400000.0 nM PMID[494805]
NPT165 Cell Line HeLa Homo sapiens IC50 = 10000000.0 nM PMID[494805]
NPT165 Cell Line HeLa Homo sapiens IC50 = 10000.0 nM PMID[494806]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 5400.0 nM PMID[494806]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 1400.0 nM PMID[494808]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 1200.0 nM PMID[494808]
NPT114 Cell Line LoVo Homo sapiens IC50 = 1100.0 nM PMID[494808]
NPT114 Cell Line LoVo Homo sapiens IC50 = 700.0 nM PMID[494808]
NPT114 Cell Line LoVo Homo sapiens IC50 = 400.0 nM PMID[494808]
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 = 85110.0 nM PMID[494809]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 5400.0 nM PMID[494810]
NPT116 Cell Line HL-60 Homo sapiens IC50 > 20000.0 nM PMID[494810]
NPT165 Cell Line HeLa Homo sapiens IC50 = 10000.0 nM PMID[494810]
NPT165 Cell Line HeLa Homo sapiens IC50 > 20000.0 nM PMID[494810]
NPT1611 Individual Protein Ribosomal protein S6 kinase 1 Homo sapiens IC90 = 64.0 % PMID[494811]
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 54000.0 nM PMID[494813]
NPT114 Cell Line LoVo Homo sapiens IC50 > 20000.0 nM PMID[494816]
NPT114 Cell Line LoVo Homo sapiens IC50 = 1100.0 nM PMID[494816]
NPT114 Cell Line LoVo Homo sapiens IC50 = 700.0 nM PMID[494816]
NPT111 Cell Line K562 Homo sapiens IC50 > 20000.0 nM PMID[494816]
NPT15 Cell Line Jurkat Homo sapiens IC50 > 20000.0 nM PMID[494816]
NPT15 Cell Line Jurkat Homo sapiens IC50 = 1200.0 nM PMID[494816]
NPT1161 Cell Line CHO Cricetulus griseus Activity = 0.0 % PMID[494817]
NPT1161 Cell Line CHO Cricetulus griseus Activity = 63.6 % PMID[494817]
NPT1161 Cell Line CHO Cricetulus griseus Activity = 38.8 % PMID[494817]
NPT1161 Cell Line CHO Cricetulus griseus Activity = 7.1 % PMID[494817]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 1400.0 nM PMID[494818]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 1200.0 nM PMID[494818]
NPT15 Cell Line Jurkat Homo sapiens IC50 = 1200.0 nM PMID[494818]
NPT453 Cell Line HT-1080 Homo sapiens IC50 = 7800.0 nM PMID[494818]
NPT453 Cell Line HT-1080 Homo sapiens IC50 = 1900.0 nM PMID[494818]
NPT114 Cell Line LoVo Homo sapiens IC50 = 1100.0 nM PMID[494818]
NPT114 Cell Line LoVo Homo sapiens IC50 = 700.0 nM PMID[494818]
NPT80 Cell Line Raji Homo sapiens Activity = 60.0 % PMID[494820]
NPT165 Cell Line HeLa Homo sapiens IC50 > 20000.0 nM PMID[494821]
NPT165 Cell Line HeLa Homo sapiens IC50 = 10000.0 nM PMID[494821]
NPT165 Cell Line HeLa Homo sapiens IC50 = 7.6 ug.mL-1 PMID[494822]
NPT165 Cell Line HeLa Homo sapiens Activity = 62.0 % PMID[494822]
NPT165 Cell Line HeLa Homo sapiens Activity = 51.0 % PMID[494822]
NPT165 Cell Line HeLa Homo sapiens Activity = 21.0 % PMID[494822]
NPT165 Cell Line HeLa Homo sapiens Activity = 16.0 % PMID[494822]
NPT116 Cell Line HL-60 Homo sapiens IC50 = 5400.0 nM PMID[494826]
NPT116 Cell Line HL-60 Homo sapiens IC50 > 20000.0 nM PMID[494826]
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 39810.7 nM PMID[494828]
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens Potency = 5011.9 nM PMID[494829]
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 5011.9 nM PMID[494828]
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Potency = 31622.8 nM PMID[494830]
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 6309.6 nM PMID[494829]
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 12589.3 nM PMID[494828]
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 12589.3 nM PMID[494830]
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Potency = 5011.9 nM PMID[494829]
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens AC50 = 5011.87 nM PMID[494829]
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens AC50 = 6309.57 nM PMID[494829]
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens AC50 = 15.85 nM PMID[494829]
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens AC50 = 5011.87 nM PMID[494829]
NPT240 Individual Protein Cytochrome P450 2A6 Homo sapiens Ki = 1900.0 nM PMID[494834]
NPT240 Individual Protein Cytochrome P450 2A6 Homo sapiens Kinact = 2.0 min-1 PMID[494834]
NPT240 Individual Protein Cytochrome P450 2A6 Homo sapiens Kinact = 2.1 min-1 PMID[494834]
NPT240 Individual Protein Cytochrome P450 2A6 Homo sapiens Ki = 800.0 nM PMID[494834]
NPT240 Individual Protein Cytochrome P450 2A6 Homo sapiens Kinact = 1.0 min-1 PMID[494834]
NPT627 Individual Protein Cytochrome P450 2B6 Homo sapiens Partition ratio = 11.2 n.a. PMID[494834]
NPT627 Individual Protein Cytochrome P450 2B6 Homo sapiens Partition ratio = 23.9 n.a. PMID[494834]
NPT240 Individual Protein Cytochrome P450 2A6 Homo sapiens Partition ratio = 21.0 n.a. PMID[494834]
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency n.a. 25118.9 nM PMID[494830]
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency n.a. 89125.1 nM PMID[494828]
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency n.a. 5011.9 nM PMID[494830]
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency n.a. 50118.7 nM PMID[494830]
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens IC50 = 40.0 nM PMID[494836]
NPT368 Cell Line SN12C Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT367 Cell Line MDA-N Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT369 Cell Line ACHN Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT370 Cell Line NCI-H23 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT372 Cell Line HOP-92 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT371 Cell Line UO-31 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT116 Cell Line HL-60 Homo sapiens GI50 n.a. 90157.11 nM PMID[494839]
NPT90 Cell Line DU-145 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT374 Cell Line SF-539 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT111 Cell Line K562 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT376 Cell Line A498 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT112 Cell Line MOLT-4 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT379 Cell Line HOP-62 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT380 Cell Line U-251 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT383 Cell Line SNB-19 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT385 Cell Line SR Homo sapiens GI50 n.a. 90573.26 nM PMID[494839]
NPT384 Cell Line TK-10 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT323 Cell Line SW-620 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT388 Cell Line NCI-H322M Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT387 Cell Line M14 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT390 Cell Line LOX IMVI Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT457 Cell Line BT-549 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT391 Cell Line HCC 2998 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT81 Cell Line A549 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT393 Cell Line HCT-116 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT148 Cell Line HCT-15 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT83 Cell Line MCF7 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT306 Cell Line PC-3 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT397 Cell Line NCI-H460 Homo sapiens GI50 n.a. 62661.39 nM PMID[494839]
NPT396 Cell Line T47D Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT398 Cell Line UACC-62 Homo sapiens GI50 n.a. 34914.03 nM PMID[494839]
NPT308 Cell Line CAKI-1 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT399 Cell Line SF-295 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT401 Cell Line 786-0 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT403 Cell Line UACC-257 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT407 Cell Line COLO 205 Homo sapiens GI50 n.a. 100000.0 nM PMID[494839]
NPT165 Cell Line HeLa Homo sapiens IC50 = 10000.0 nM PMID[494841]
NPT165 Cell Line HeLa Homo sapiens IC50 > 30000.0 nM PMID[494841]
NPT762 Cell Line A-431 Homo sapiens IC50 = 25000.0 nM PMID[494841]
NPT762 Cell Line A-431 Homo sapiens IC50 > 30000.0 nM PMID[494841]
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency n.a. 10000.0 nM PMID[494828]
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency n.a. 1584.9 nM PMID[494828]
NPT103 Individual Protein Nuclear receptor ROR-gamma Homo sapiens Potency n.a. 13333.2 nM PMID[494830]
NPT622 Individual Protein Solute carrier organic anion transporter family member 2B1 Homo sapiens Inhibition = -1.6 % PMID[494842]
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 4.4 % PMID[494843]
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency n.a. 11220.2 nM PMID[494828]
NPT139 Cell Line HT-29 Homo sapiens IC50 > 100000.0 nM PMID[494848]
NPT393 Cell Line HCT-116 Homo sapiens IC50 > 100000.0 nM PMID[494848]
NPT461 Cell Line PANC-1 Homo sapiens IC50 = 83300.0 nM PMID[494848]
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 760.0 nM PMID[494848]
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency n.a. 17228.9 nM PMID[494852]
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Inhibition < 50.0 % PMID[494855]
NPT240 Individual Protein Cytochrome P450 2A6 Homo sapiens Ki = 250.0 nM PMID[494856]
NPT240 Individual Protein Cytochrome P450 2A6 Homo sapiens Kd = 11000.0 nM PMID[494856]
NPT2599 Individual Protein Cytochrome P450 2A13 Homo sapiens Kd = 1600.0 nM PMID[494856]
NPT2599 Individual Protein Cytochrome P450 2A13 Homo sapiens Ki = 40.0 nM PMID[494856]
NPT169 Cell Line B16-F10 Mus musculus Activity = 114.5 % PMID[494858]
NPT319 Cell Line B16 Mus musculus Activity = 149.39 % PMID[494859]
NPT196 Cell Line AGS Homo sapiens GI = 35.3 % PMID[494861]
NPT196 Cell Line AGS Homo sapiens IC50 > 100000.0 nM PMID[494861]
NPT1603 Individual Protein Cytochrome P450 1A1 Homo sapiens Inhibition = 84.0 % PMID[494862]
NPT4182 Cell Line PAM212 Mus musculus IC50 = 100.0 nM PMID[494866]
NPT4182 Cell Line PAM212 Mus musculus IC50 > 100000.0 nM PMID[494866]
NPT65 Cell Line HepG2 Homo sapiens Activity = 56.5 % PMID[494867]
NPT65 Cell Line HepG2 Homo sapiens Activity = 77.0 % PMID[494867]
NPT2739 Individual Protein Tyrosinase Mus musculus Activity = 115.0 % PMID[494868]
NPT43 Individual Protein Tyrosinase Agaricus bisporus EC50 = 14800.0 nM PMID[494868]
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency n.a. 27721.1 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency n.a. 61652.4 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency n.a. 18.8 nM PubChem BioAssay data set
NPT35 Others n.a. Solubility = 23000.0 ug.mL-1 PMID[494794]
NPT875 Organism Bos taurus Bos taurus K = 736.0 M-1 PMID[494794]
NPT2 Others Unspecified Surviving fraction = 0.8 n.a. PMID[494794]
NPT2 Others Unspecified Radioactivity = 19.0 % PMID[494795]
NPT2 Others Unspecified Radioactivity = 75.0 % PMID[494795]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Radioactivity = 94.0 % PMID[494795]
NPT317 Uncleic Acid Nucleic Acid Binding constant = 0.14 M-1 PMID[494797]
NPT317 Uncleic Acid Nucleic Acid Binding constant = 0.48 M-1 PMID[494797]
NPT317 Uncleic Acid Nucleic Acid Binding constant = 0.25 M-1 PMID[494797]
NPT317 Uncleic Acid Nucleic Acid Binding constant = 0.17 M-1 PMID[494797]
NPT27 Others Unspecified XL50 = 18.0 uM PMID[494797]
NPT27 Others Unspecified IC50 > 1000.0 nM PMID[494797]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. ID50 = 36.6 uM PMID[494798]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. ID50 = 0.84 uM PMID[494798]
NPT317 Uncleic Acid Nucleic Acid Photo-cross-linking of DNA = 1.0 n.a. PMID[494800]
NPT26224 CELL-LINE NHIK3025 Homo sapiens Phototoxic effect = 100.0 n.a. PMID[494800]
NPT2591 Organism Tetrahymena thermophila Tetrahymena thermophila Phototoxic effect = 100.0 n.a. PMID[494800]
NPT26224 CELL-LINE NHIK3025 Homo sapiens DNA crosslinking = 100.0 n.a. PMID[494800]
NPT2591 Organism Tetrahymena thermophila Tetrahymena thermophila DNA photo-crosslinking = 100.0 n.a. PMID[494800]
NPT32 Organism Mus musculus Mus musculus Photosensitization = 100.0 n.a. PMID[494800]
NPT2 Others Unspecified IC50 > 30000.0 nM PMID[494801]
NPT2 Others Unspecified IC50 = 3.59 kJ m**-2 PMID[494801]
NPT2 Others Unspecified IC50 = 1.23 kJ m**-2 PMID[494801]
NPT317 Uncleic Acid Nucleic Acid Delta Tm = 1.0 degrees C PMID[494802]
NPT317 Uncleic Acid Nucleic Acid Delta Tm = 10.0 degrees C PMID[494802]
NPT27 Others Unspecified O2 production = 9.0 % PMID[494802]
NPT27 Others Unspecified LC50 > 100000.0 nM PMID[494802]
NPT27 Others Unspecified LC50 = 2200.0 nM PMID[494802]
NPT176 Organism Artemia salina Artemia salina Dose modification > 40.0 n.a. PMID[494802]
NPT35 Others n.a. Solubility = 23.0 ug.mL-1 PMID[494803]
NPT35 Others n.a. Solubility = 106000.0 nM PMID[494803]
NPT317 Uncleic Acid Nucleic Acid Binding constant = 736.0 n.a. PMID[494803]
NPT2 Others Unspecified Number = 7.81 n.a. PMID[494803]
NPT2 Others Unspecified 1/n = 0.128 n.a. PMID[494803]
NPT27 Others Unspecified Rate constant = 0.031 min-1 PMID[494803]
NPT32 Organism Mus musculus Mus musculus Inhibition = 61.0 % PMID[494803]
NPT2 Others Unspecified Relative activity = 1.0 n.a. PMID[494803]
NPT32 Organism Mus musculus Mus musculus Inhibition = 39.1 % PMID[494803]
NPT317 Uncleic Acid Nucleic Acid K = 736.0 n.a. PMID[494807]
NPT317 Uncleic Acid Nucleic Acid Activity = 7.81 n.a. PMID[494807]
NPT317 Uncleic Acid Nucleic Acid Activity = 0.128 n.a. PMID[494807]
NPT317 Uncleic Acid Nucleic Acid Rate constant = 0.031 min-1 PMID[494807]
NPT32 Organism Mus musculus Mus musculus ID50 = 0.0000000000000000138 quanta PMID[494807]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 44.0 % PMID[494812]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 0.0 % PMID[494812]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 39.0 % PMID[494812]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 21.0 % PMID[494812]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 86.0 % PMID[494812]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 76.0 % PMID[494812]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 58.0 % PMID[494812]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 25.0 % PMID[494812]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 5.0 % PMID[494812]
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 12.0 mm PMID[494814]
NPT27 Others Unspecified IC50 > 20000.0 nM PMID[494816]
NPT27 Others Unspecified IC50 = 5500.0 nM PMID[494816]
NPT19 Organism Escherichia coli Escherichia coli IZ = 14.0 mm PMID[494817]
NPT19 Organism Escherichia coli Escherichia coli IZ = 0.0 mm PMID[494817]
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ = 0.0 mm PMID[494817]
NPT1209 Organism Pseudomonas fluorescens Pseudomonas fluorescens IZ = 0.0 mm PMID[494817]
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 14.0 mm PMID[494817]
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 0.0 mm PMID[494817]
NPT175 Organism Enterococcus faecalis Enterococcus faecalis IZ = 14.0 mm PMID[494817]
NPT175 Organism Enterococcus faecalis Enterococcus faecalis IZ = 0.0 mm PMID[494817]
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 18.0 mm PMID[494817]
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 0.0 mm PMID[494817]
NPT20 Organism Candida albicans Candida albicans IZ = 14.0 mm PMID[494817]
NPT20 Organism Candida albicans Candida albicans IZ = 0.0 mm PMID[494817]
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IZ = 19.0 mm PMID[494817]
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IZ = 0.0 mm PMID[494817]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 5500.0 nM PMID[494818]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 900.0 nM PMID[494818]
NPT20 Organism Candida albicans Candida albicans IZ = 13.0 mm PMID[494819]
NPT20 Organism Candida albicans Candida albicans IZ = 15.0 mm PMID[494819]
NPT20 Organism Candida albicans Candida albicans IZ = 17.0 mm PMID[494819]
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IZ = 17.0 mm PMID[494819]
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IZ = 18.0 mm PMID[494819]
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IZ = 20.0 mm PMID[494819]
NPT1514 Uncleic Acid DNA Bos taurus Activity = 0.18 n.a. PMID[494819]
NPT1514 Uncleic Acid DNA Bos taurus Activity = 0.17 n.a. PMID[494819]
NPT2 Others Unspecified Activity = 14.2 % PMID[494820]
NPT2 Others Unspecified Activity = 55.2 % PMID[494820]
NPT2 Others Unspecified Activity = 83.1 % PMID[494820]
NPT2 Others Unspecified Activity = 100.0 % PMID[494820]
NPT2 Others Unspecified IC50 = 490.0 molar ratio PMID[494820]
NPT2 Others Unspecified Ratio = 1.3 n.a. PMID[494820]
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 12.0 mm PMID[494823]
NPT2 Others Unspecified IC50 = 28000.0 nM PMID[494824]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Ratio = 1.0 n.a. PMID[494825]
NPT452 Organism Helicobacter pylori SS1 Helicobacter pylori SS1 MIC = 25.0 ug.mL-1 PMID[494827]
NPT2 Others Unspecified Potency = 1636.0 nM PMID[494828]
NPT2 Others Unspecified Potency = 1412.5 nM PMID[494831]
NPT2 Others Unspecified Potency n.a. 25929.0 nM PMID[494828]
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency n.a. 9528.3 nM PMID[494835]
NPT20596 PHENOTYPE Hepatotoxicity n.a. HepSE_bilirubinemia = 0.0 n.a. PMID[494837]
NPT20596 PHENOTYPE Hepatotoxicity n.a. HepSE_cholecystitis = 0.0 n.a. PMID[494837]
NPT20596 PHENOTYPE Hepatotoxicity n.a. HepSE_cholelithiasis = 0.0 n.a. PMID[494837]
NPT20596 PHENOTYPE Hepatotoxicity n.a. HepSE_cirrhosis = 0.0 n.a. PMID[494837]
NPT20596 PHENOTYPE Hepatotoxicity n.a. HepSE_elevated liver function tests = 0.0 n.a. PMID[494837]
NPT20596 PHENOTYPE Hepatotoxicity n.a. HepSE_hepatic failure = 0.0 n.a. PMID[494837]
NPT20596 PHENOTYPE Hepatotoxicity n.a. HepSE_hepatic necrosis = 0.0 n.a. PMID[494837]
NPT20596 PHENOTYPE Hepatotoxicity n.a. HepSE_hepatitis = 0.0 n.a. PMID[494837]
NPT20596 PHENOTYPE Hepatotoxicity n.a. HepSE_hepatomegaly = 0.0 n.a. PMID[494837]
NPT20596 PHENOTYPE Hepatotoxicity n.a. HepSE_jaundice = 0.0 n.a. PMID[494837]
NPT20596 PHENOTYPE Hepatotoxicity n.a. HepSE_liver disease = 0.0 n.a. PMID[494837]
NPT20596 PHENOTYPE Hepatotoxicity n.a. HepSE_liver fatty = 0.0 n.a. PMID[494837]
NPT20596 PHENOTYPE Hepatotoxicity n.a. HepSE_liver function tests abnormal = 0.0 n.a. PMID[494837]
NPT20596 PHENOTYPE Hepatotoxicity n.a. HepSE_Combined Scores = 0.0 n.a. PMID[494837]
NPT740 Individual Protein Beta-secretase 1 Homo sapiens IC50 > 500000.0 nM PMID[494838]
NPT740 Individual Protein Beta-secretase 1 Homo sapiens Inhibition = -4.9 % PMID[494838]
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 8.9 % PMID[494842]
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 38.1 % PMID[494842]
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = 8.34 % PMID[494843]
NPT852 Organism Phomopsis obscurans Phomopsis obscurans GI = 100.0 % PMID[494844]
NPT852 Organism Phomopsis obscurans Phomopsis obscurans GI = 80.0 % PMID[494844]
NPT637 Organism Fusarium oxysporum Fusarium oxysporum GI = 50.0 % PMID[494844]
NPT851 Organism Colletotrichum fragariae Colletotrichum fragariae GI = 29.0 % PMID[494844]
NPT2241 Organism Glomerella acutata Glomerella acutata Activity = 15.0 % PMID[494844]
NPT2600 Organism Fusarium solani Fusarium solani IC50 = 125000.0 nM PMID[494844]
NPT364 Organism Lactuca sativa Lactuca sativa Activity = 39.0 % PMID[494845]
NPT1 Others Radical scavenging activity Activity = 16.0 % PMID[494846]
NPT27 Others Unspecified Activity = 89.6 % PMID[494846]
NPT27 Others Unspecified Activity = 92.0 % PMID[494846]
NPT27 Others Unspecified Activity = 96.7 % PMID[494846]
NPT27 Others Unspecified Activity = 98.1 % PMID[494846]
NPT27 Others Unspecified Activity = 101.4 % PMID[494846]
NPT35 Others n.a. Inhibition = 5.0 % PMID[494846]
NPT2 Others Unspecified IC50 = 50000.0 nM PMID[494846]
NPT2 Others Unspecified IC50 = 40700.0 nM PMID[494847]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 3100.0 nM PMID[494848]
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 102.46 % PMID[494849]
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 107.28 % PMID[494849]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Hepatotoxicity (moderate) = 1.0 n.a. PMID[494850]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Hepatotoxicity (moderate) = 0.0 % PMID[494850]
NPT2 Others Unspecified Hepatotoxicity (acute) = 3.0 n.a. PMID[494850]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Hepatotoxicity (acute) = 0.0 % PMID[494850]
NPT2 Others Unspecified Hepatotoxicity (cytolytic) = 3.0 n.a. PMID[494850]
NPT2 Others Unspecified Hepatotoxicity (choleostasis) = 0.0 n.a. PMID[494850]
NPT2 Others Unspecified Hepatotoxicity (severe hepatitis) = 1.0 n.a. PMID[494850]
NPT2 Others Unspecified Hepatotoxicity (chronic liver disease) = 0.0 n.a. PMID[494850]
NPT2 Others Unspecified Hepatotoxicity (cirrhosis) = 0.0 n.a. PMID[494850]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Hepatotoxicity (granulomatous hepatitis) = 0.0 n.a. PMID[494850]
NPT2 Others Unspecified Hepatotoxicity (association with vascular disease) = 0.0 n.a. PMID[494850]
NPT2 Others Unspecified Hepatotoxicity (steatosis) = 0.0 n.a. PMID[494850]
NPT2 Others Unspecified Hepatotoxicity (malignant tumour) = 0.0 n.a. PMID[494850]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Hepatotoxicity (benign tumour) = 0.0 n.a. PMID[494850]
NPT2 Others Unspecified Potency n.a. 1584.9 nM PMID[494828]
NPT610 Others Molecular identity unknown Potency n.a. 50118.7 nM PMID[494830]
NPT610 Others Molecular identity unknown Potency n.a. 39810.7 nM PMID[494851]
NPT2 Others Unspecified Potency n.a. 1122.0 nM PMID[494828]
NPT610 Others Molecular identity unknown Potency n.a. 74978.0 nM PMID[494830]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Potency n.a. 13324.4 nM PMID[494853]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. Potency n.a. 10583.9 nM PMID[494853]
NPT35 Others n.a. LogD7.4 n.a. 1.97 n.a. PMID[494854]
NPT27 Others Unspecified CL n.a. 6.0 mL.min-1.g-1 PMID[494854]
NPT27 Others Unspecified PPB n.a. 92.32 % PMID[494854]
NPT27 Others Unspecified CL n.a. 52.0 uL.min-1.(10^6cells)-1 PMID[494854]
NPT27 Others Unspecified Ratio Ki = 0.16 n.a. PMID[494856]
NPT27 Others Unspecified Ratio = 0.14 n.a. PMID[494856]
NPT2 Others Unspecified AC50 n.a. 7079.5 nM PMID[494857]
NPT2 Others Unspecified Ac50 n.a. 8.913 uM PMID[494857]
NPT2 Others Unspecified Ac50 n.a. 7.079 uM PMID[494857]
NPT2 Others Unspecified AC50 n.a. 8912.5 nM PMID[494857]
NPT20 Organism Candida albicans Candida albicans IZ <= 7.0 mm PMID[494859]
NPT19 Organism Escherichia coli Escherichia coli IZ <= 7.0 mm PMID[494859]
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ <= 7.0 mm PMID[494859]
NPT605 Organism Homo sapiens Homo sapiens DILI_severity_class = 3.0 n.a. PMID[494860]
NPT21742 CELL-LINE L02 Homo sapiens Inhibition = 3.3 % PMID[494861]
NPT21742 CELL-LINE L02 Homo sapiens IC50 > 100000.0 nM PMID[494861]
NPT19 Organism Escherichia coli Escherichia coli Inhibition = 2.12 % PMID[494863]
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae Inhibition = 4.76 % PMID[494863]
NPT20 Organism Candida albicans Candida albicans Inhibition = -3.39 % PMID[494863]
NPT747 Organism Acinetobacter baumannii Acinetobacter baumannii Inhibition = -6.09 % PMID[494863]
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition = 12.61 % PMID[494863]
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans Inhibition = -9.6 % PMID[494863]
NPT2922 Organism Staphylococcus aureus subsp. aureus Staphylococcus aureus subsp. aureus Inhibition = 3.08 % PMID[494863]
NPT20555 ORGANISM SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 Inhibition = 5.62 % PMID[494864]
NPT20555 ORGANISM SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 Hit score = 0.1698 n.a. PMID[494865]
NPT20556 SINGLE PROTEIN Replicase polyprotein 1ab Severe acute respiratory syndrome coronavirus 2 Inhibition = 14.31 % PMID[494869]
NPT20556 SINGLE PROTEIN Replicase polyprotein 1ab Severe acute respiratory syndrome coronavirus 2 Inhibition = 15.15 % PMID[494870]
NPT20555 ORGANISM SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 Inhibition = 0.12 % PMID[494871]
NPT20555 ORGANISM SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 Inhibition = 0.42 % PMID[494872]
NPT20 Organism Candida albicans Candida albicans Inhibition = 5.22 % PMID[494873]
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans Inhibition = -0.09 % PMID[494873]
NPT19 Organism Escherichia coli Escherichia coli Inhibition = -6.11 % PMID[494873]
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae Inhibition = 9.19 % PMID[494873]
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition = 9.57 % PMID[494873]
NPT747 Organism Acinetobacter baumannii Acinetobacter baumannii Inhibition = 12.68 % PMID[494873]
NPT2922 Organism Staphylococcus aureus subsp. aureus Staphylococcus aureus subsp. aureus Inhibition = 13.34 % PMID[494873]
NPT20555 ORGANISM SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 IC50 > 20000.0 nM PMID[494874]
NPT20555 ORGANISM SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 IC50 > 19952.62 nM PMID[494874]
NPT2 Others Unspecified Potency n.a. 4364.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 4393.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 4897.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 5955.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 273.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 375.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 24336.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 239.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 21313.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 69008.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 9771.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 1737.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 54815.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 48557.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 48972.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 61503.8 nM PubChem BioAssay data set

☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.

  Chemically structural similarity: I. Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available 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 NPC33320 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
0.9934 High Similarity NPC243509
0.9868 High Similarity NPC216092
0.974 High Similarity NPC179464
0.9677 High Similarity NPC173149
0.9677 High Similarity NPC179015
0.9675 High Similarity NPC234536
0.9675 High Similarity NPC78612
0.9615 High Similarity NPC67450
0.9615 High Similarity NPC210460
0.9615 High Similarity NPC193881
0.9615 High Similarity NPC155264
0.947 High Similarity NPC98028
0.9434 High Similarity NPC51404
0.9363 High Similarity NPC15819
0.9359 High Similarity NPC264293
0.9313 High Similarity NPC144288
0.9202 High Similarity NPC107244
0.9198 High Similarity NPC233956
0.9193 High Similarity NPC281835
0.9141 High Similarity NPC224165
0.9141 High Similarity NPC53917
0.9097 High Similarity NPC131725
0.9085 High Similarity NPC88445
0.9079 High Similarity NPC74539
0.9079 High Similarity NPC304443
0.9067 High Similarity NPC166858
0.9067 High Similarity NPC51146
0.9026 High Similarity NPC191104
0.902 High Similarity NPC266743
0.9 High Similarity NPC27220
0.8963 High Similarity NPC72455
0.8963 High Similarity NPC62640
0.8947 High Similarity NPC246903
0.8917 High Similarity NPC250769
0.8917 High Similarity NPC278010
0.8917 High Similarity NPC295608
0.8882 High Similarity NPC65846
0.8874 High Similarity NPC254010
0.8868 High Similarity NPC250076
0.8867 High Similarity NPC262635
0.8861 High Similarity NPC19860
0.8846 High Similarity NPC474170
0.8846 High Similarity NPC472535
0.8846 High Similarity NPC474388
0.8831 High Similarity NPC117463
0.8824 High Similarity NPC208584
0.8816 High Similarity NPC313036
0.8812 High Similarity NPC169
0.8797 High Similarity NPC471746
0.8782 High Similarity NPC177839
0.878 High Similarity NPC41853
0.8766 High Similarity NPC190572
0.8758 High Similarity NPC14822
0.8734 High Similarity NPC186507
0.8734 High Similarity NPC41719
0.8734 High Similarity NPC279930
0.872 High Similarity NPC167479
0.871 High Similarity NPC299923
0.8704 High Similarity NPC302741
0.8701 High Similarity NPC471590
0.8696 High Similarity NPC49009
0.8696 High Similarity NPC239270
0.8696 High Similarity NPC303210
0.8696 High Similarity NPC95472
0.8688 High Similarity NPC269495
0.8679 High Similarity NPC34725
0.8679 High Similarity NPC276059
0.8679 High Similarity NPC241774
0.8679 High Similarity NPC122623
0.8679 High Similarity NPC284353
0.8675 High Similarity NPC475964
0.8671 High Similarity NPC130015
0.8671 High Similarity NPC68882
0.8671 High Similarity NPC38361
0.8662 High Similarity NPC189270
0.8662 High Similarity NPC155882
0.8662 High Similarity NPC5840
0.8659 High Similarity NPC472895
0.865 High Similarity NPC132054
0.8645 High Similarity NPC310259
0.8634 High Similarity NPC113055
0.8625 High Similarity NPC257277
0.8625 High Similarity NPC474983
0.8616 High Similarity NPC475895
0.8606 High Similarity NPC241820
0.8599 High Similarity NPC474648
0.8598 High Similarity NPC187923
0.8589 High Similarity NPC272722
0.8589 High Similarity NPC193998
0.858 High Similarity NPC477164
0.8571 High Similarity NPC19097
0.8571 High Similarity NPC270044
0.8571 High Similarity NPC476054
0.8571 High Similarity NPC310206
0.8563 High Similarity NPC157522
0.8562 High Similarity NPC470856
0.8562 High Similarity NPC233776
0.8553 High Similarity NPC40033
0.8553 High Similarity NPC36414
0.8553 High Similarity NPC304954
0.8545 High Similarity NPC298071
0.8545 High Similarity NPC323137
0.8544 High Similarity NPC135303
0.8544 High Similarity NPC148423
0.8537 High Similarity NPC1706
0.8537 High Similarity NPC1755
0.8537 High Similarity NPC59295
0.8537 High Similarity NPC263092
0.8537 High Similarity NPC39305
0.8535 High Similarity NPC476342
0.8535 High Similarity NPC183236
0.8528 High Similarity NPC34376
0.8519 High Similarity NPC15764
0.8516 High Similarity NPC293201
0.8516 High Similarity NPC113089
0.8509 High Similarity NPC472461
0.8509 High Similarity NPC155063
0.8506 High Similarity NPC185607
0.8503 High Similarity NPC131866
0.8503 High Similarity NPC190351
0.85 High Similarity NPC189130
0.85 High Similarity NPC473664
0.8497 Intermediate Similarity NPC73703
0.8497 Intermediate Similarity NPC136095
0.8491 Intermediate Similarity NPC473732
0.8487 Intermediate Similarity NPC253616
0.8485 Intermediate Similarity NPC279768
0.8485 Intermediate Similarity NPC36320
0.8485 Intermediate Similarity NPC38914
0.8481 Intermediate Similarity NPC69752
0.8476 Intermediate Similarity NPC475144
0.8476 Intermediate Similarity NPC238995
0.8471 Intermediate Similarity NPC470511
0.8471 Intermediate Similarity NPC198427
0.8466 Intermediate Similarity NPC269906
0.8466 Intermediate Similarity NPC139876
0.8462 Intermediate Similarity NPC136278
0.8462 Intermediate Similarity NPC66804
0.8462 Intermediate Similarity NPC224687
0.8452 Intermediate Similarity NPC70853
0.8452 Intermediate Similarity NPC9966
0.8438 Intermediate Similarity NPC475116
0.8438 Intermediate Similarity NPC60211
0.8428 Intermediate Similarity NPC259058
0.8428 Intermediate Similarity NPC260582
0.8428 Intermediate Similarity NPC201547
0.8424 Intermediate Similarity NPC472582
0.8421 Intermediate Similarity NPC29638
0.8421 Intermediate Similarity NPC472516
0.8421 Intermediate Similarity NPC104682
0.8421 Intermediate Similarity NPC268081
0.8418 Intermediate Similarity NPC306788
0.8418 Intermediate Similarity NPC261548
0.8415 Intermediate Similarity NPC109238
0.8415 Intermediate Similarity NPC309335
0.8415 Intermediate Similarity NPC94155
0.8415 Intermediate Similarity NPC296540
0.8408 Intermediate Similarity NPC231013
0.8405 Intermediate Similarity NPC238405
0.8405 Intermediate Similarity NPC104459
0.8405 Intermediate Similarity NPC257914
0.8405 Intermediate Similarity NPC16935
0.8402 Intermediate Similarity NPC65885
0.8402 Intermediate Similarity NPC277510
0.8397 Intermediate Similarity NPC17262
0.8397 Intermediate Similarity NPC76657
0.8395 Intermediate Similarity NPC248299
0.8395 Intermediate Similarity NPC45131
0.8393 Intermediate Similarity NPC28042
0.8387 Intermediate Similarity NPC29536
0.8387 Intermediate Similarity NPC28326
0.8385 Intermediate Similarity NPC244371
0.8385 Intermediate Similarity NPC128961
0.8385 Intermediate Similarity NPC472408
0.8383 Intermediate Similarity NPC186392
0.8383 Intermediate Similarity NPC247973
0.8377 Intermediate Similarity NPC472515
0.8375 Intermediate Similarity NPC198615
0.8375 Intermediate Similarity NPC474663
0.8375 Intermediate Similarity NPC472407
0.8375 Intermediate Similarity NPC236769
0.8373 Intermediate Similarity NPC329215
0.8373 Intermediate Similarity NPC45449
0.8373 Intermediate Similarity NPC259007
0.8373 Intermediate Similarity NPC280893
0.8373 Intermediate Similarity NPC204088
0.8373 Intermediate Similarity NPC475369
0.8366 Intermediate Similarity NPC44573
0.8366 Intermediate Similarity NPC103001
0.8365 Intermediate Similarity NPC181250
0.8365 Intermediate Similarity NPC159103
0.8364 Intermediate Similarity NPC18284
0.8364 Intermediate Similarity NPC273021
0.8364 Intermediate Similarity NPC471745
0.8364 Intermediate Similarity NPC19948
0.8363 Intermediate Similarity NPC98546
0.8354 Intermediate Similarity NPC298093
0.8354 Intermediate Similarity NPC129650
0.8354 Intermediate Similarity NPC140840
0.8354 Intermediate Similarity NPC471744

  Chemically structural similarity: II. Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC33320 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
1.0 High Similarity NPD919 Approved
0.9359 High Similarity NPD1247 Approved
0.9079 High Similarity NPD920 Approved
0.9067 High Similarity NPD643 Clinical (unspecified phase)
0.8947 High Similarity NPD642 Clinical (unspecified phase)
0.8867 High Similarity NPD1243 Approved
0.8679 High Similarity NPD3817 Phase 2
0.8509 High Similarity NPD3882 Suspended
0.8424 Intermediate Similarity NPD3926 Phase 2
0.8397 Intermediate Similarity NPD6799 Approved
0.8385 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8354 Intermediate Similarity NPD5494 Approved
0.8323 Intermediate Similarity NPD6801 Discontinued
0.8232 Intermediate Similarity NPD7075 Discontinued
0.8199 Intermediate Similarity NPD6599 Discontinued
0.8098 Intermediate Similarity NPD1934 Approved
0.8065 Intermediate Similarity NPD2796 Approved
0.8063 Intermediate Similarity NPD1512 Approved
0.8049 Intermediate Similarity NPD7819 Suspended
0.8049 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7977 Intermediate Similarity NPD6559 Discontinued
0.7953 Intermediate Similarity NPD3818 Discontinued
0.7939 Intermediate Similarity NPD2801 Approved
0.7937 Intermediate Similarity NPD1511 Approved
0.7907 Intermediate Similarity NPD5844 Phase 1
0.7888 Intermediate Similarity NPD5401 Approved
0.7836 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7836 Intermediate Similarity NPD6166 Phase 2
0.7836 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD6232 Discontinued
0.7818 Intermediate Similarity NPD7411 Suspended
0.7798 Intermediate Similarity NPD3749 Approved
0.7791 Intermediate Similarity NPD7473 Discontinued
0.7791 Intermediate Similarity NPD5403 Approved
0.7784 Intermediate Similarity NPD5402 Approved
0.7771 Intermediate Similarity NPD1510 Phase 2
0.7736 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7736 Intermediate Similarity NPD1549 Phase 2
0.7727 Intermediate Similarity NPD7808 Phase 3
0.7722 Intermediate Similarity NPD1551 Phase 2
0.7714 Intermediate Similarity NPD6797 Phase 2
0.7692 Intermediate Similarity NPD447 Suspended
0.7673 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD7251 Discontinued
0.7658 Intermediate Similarity NPD3748 Approved
0.7651 Intermediate Similarity NPD4380 Phase 2
0.7633 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD1240 Approved
0.7619 Intermediate Similarity NPD1465 Phase 2
0.76 Intermediate Similarity NPD7054 Approved
0.76 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD1933 Approved
0.7572 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD1471 Phase 3
0.7561 Intermediate Similarity NPD2534 Approved
0.7561 Intermediate Similarity NPD2532 Approved
0.7561 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD2533 Approved
0.7557 Intermediate Similarity NPD7074 Phase 3
0.7557 Intermediate Similarity NPD7472 Approved
0.7532 Intermediate Similarity NPD1607 Approved
0.7529 Intermediate Similarity NPD7768 Phase 2
0.7529 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD6832 Phase 2
0.7469 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD3750 Approved
0.7416 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD2935 Discontinued
0.7389 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD8434 Phase 2
0.7362 Intermediate Similarity NPD2800 Approved
0.7358 Intermediate Similarity NPD230 Phase 1
0.7356 Intermediate Similarity NPD7199 Phase 2
0.7346 Intermediate Similarity NPD2344 Approved
0.7345 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD2799 Discontinued
0.7317 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD943 Approved
0.7289 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD3226 Approved
0.7278 Intermediate Similarity NPD1296 Phase 2
0.7278 Intermediate Similarity NPD2313 Discontinued
0.7273 Intermediate Similarity NPD5242 Approved
0.7257 Intermediate Similarity NPD6959 Discontinued
0.7247 Intermediate Similarity NPD2163 Approved
0.7244 Intermediate Similarity NPD1019 Discontinued
0.7232 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD2403 Approved
0.7222 Intermediate Similarity NPD5953 Discontinued
0.7212 Intermediate Similarity NPD4628 Phase 3
0.7208 Intermediate Similarity NPD9717 Approved
0.7179 Intermediate Similarity NPD1203 Approved
0.7169 Intermediate Similarity NPD2309 Approved
0.7169 Intermediate Similarity NPD3887 Approved
0.7168 Intermediate Similarity NPD5353 Approved
0.7143 Intermediate Similarity NPD3146 Approved
0.7143 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD2346 Discontinued
0.7134 Intermediate Similarity NPD2353 Approved
0.7124 Intermediate Similarity NPD17 Approved
0.712 Intermediate Similarity NPD4107 Approved
0.7119 Intermediate Similarity NPD6808 Phase 2
0.7111 Intermediate Similarity NPD7286 Phase 2
0.7097 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD6385 Approved
0.7093 Intermediate Similarity NPD6386 Approved
0.7089 Intermediate Similarity NPD9494 Approved
0.7083 Intermediate Similarity NPD4482 Phase 3
0.7081 Intermediate Similarity NPD4307 Phase 2
0.707 Intermediate Similarity NPD3266 Approved
0.707 Intermediate Similarity NPD3267 Approved
0.7063 Intermediate Similarity NPD411 Approved
0.7056 Intermediate Similarity NPD3751 Discontinued
0.7052 Intermediate Similarity NPD37 Approved
0.7049 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD2654 Approved
0.7037 Intermediate Similarity NPD6355 Discontinued
0.7032 Intermediate Similarity NPD422 Phase 1
0.7029 Intermediate Similarity NPD4965 Approved
0.7029 Intermediate Similarity NPD4966 Approved
0.7029 Intermediate Similarity NPD4967 Phase 2
0.7027 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD7229 Phase 3
0.7022 Intermediate Similarity NPD5710 Approved
0.7022 Intermediate Similarity NPD5711 Approved
0.7021 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD1653 Approved
0.7012 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.6987 Remote Similarity NPD1608 Approved
0.6964 Remote Similarity NPD2354 Approved
0.6957 Remote Similarity NPD6798 Discontinued
0.6954 Remote Similarity NPD6279 Approved
0.6954 Remote Similarity NPD6280 Approved
0.6949 Remote Similarity NPD6234 Discontinued
0.6943 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6937 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6927 Remote Similarity NPD3787 Discontinued
0.6915 Remote Similarity NPD4287 Approved
0.6914 Remote Similarity NPD1006 Clinical (unspecified phase)
0.6909 Remote Similarity NPD7033 Discontinued
0.6909 Remote Similarity NPD4308 Phase 3
0.6909 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6905 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6901 Remote Similarity NPD5049 Phase 3
0.6901 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6897 Remote Similarity NPD5889 Approved
0.6897 Remote Similarity NPD5890 Approved
0.689 Remote Similarity NPD6651 Approved
0.6887 Remote Similarity NPD1241 Discontinued
0.6885 Remote Similarity NPD1729 Discontinued
0.6871 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6871 Remote Similarity NPD4060 Phase 1
0.6871 Remote Similarity NPD1613 Approved
0.6864 Remote Similarity NPD6190 Approved
0.6852 Remote Similarity NPD3268 Approved
0.6842 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6836 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6832 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6829 Remote Similarity NPD5124 Phase 1
0.6829 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5536 Phase 2
0.6815 Remote Similarity NPD1281 Approved
0.6813 Remote Similarity NPD2798 Approved
0.6811 Remote Similarity NPD6764 Approved
0.6811 Remote Similarity NPD6765 Approved
0.6782 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6782 Remote Similarity NPD7458 Discontinued
0.678 Remote Similarity NPD4288 Approved
0.6778 Remote Similarity NPD8127 Discontinued
0.6774 Remote Similarity NPD9545 Approved
0.677 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6766 Remote Similarity NPD2438 Suspended
0.675 Remote Similarity NPD1049 Clinical (unspecified phase)
0.675 Remote Similarity NPD2797 Approved
0.6748 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6746 Remote Similarity NPD1652 Phase 2
0.6743 Remote Similarity NPD6585 Discontinued
0.6731 Remote Similarity NPD9268 Approved
0.6707 Remote Similarity NPD6233 Phase 2
0.6706 Remote Similarity NPD4110 Phase 3
0.6706 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6705 Remote Similarity NPD6273 Approved
0.6705 Remote Similarity NPD6873 Phase 2
0.6701 Remote Similarity NPD3057 Approved
0.6701 Remote Similarity NPD5005 Approved
0.6701 Remote Similarity NPD5006 Approved
0.6687 Remote Similarity NPD3027 Phase 3
0.6687 Remote Similarity NPD1283 Approved

  Bioactivity similarity: Similar Natural Products in NPASS

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