Structure

Physi-Chem Properties

Molecular Weight:  224.14
Volume:  243.309
LogP:  1.202
LogD:  0.896
LogS:  -2.043
# Rotatable Bonds:  2
TPSA:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  3

MedChem Properties

QED Drug-Likeness Score:  0.7
Synthetic Accessibility Score:  4.159
Fsp3:  0.615
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:  -4.654
MDCK Permeability:  2.2633841581409797e-05
Pgp-inhibitor:  0.001
Pgp-substrate:  0.098
Human Intestinal Absorption (HIA):  0.012
20% Bioavailability (F20%):  0.007
30% Bioavailability (F30%):  0.003

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):  0.665
Plasma Protein Binding (PPB):  74.49853515625%
Volume Distribution (VD):  0.858
Pgp-substrate:  24.294475555419922%

ADMET: Metabolism

CYP1A2-inhibitor:  0.023
CYP1A2-substrate:  0.407
CYP2C19-inhibitor:  0.1
CYP2C19-substrate:  0.849
CYP2C9-inhibitor:  0.042
CYP2C9-substrate:  0.2
CYP2D6-inhibitor:  0.002
CYP2D6-substrate:  0.11
CYP3A4-inhibitor:  0.017
CYP3A4-substrate:  0.753

ADMET: Excretion

Clearance (CL):  4.999
Half-life (T1/2):  0.537

ADMET: Toxicity

hERG Blockers:  0.03
Human Hepatotoxicity (H-HT):  0.418
Drug-inuced Liver Injury (DILI):  0.169
AMES Toxicity:  0.009
Rat Oral Acute Toxicity:  0.822
Maximum Recommended Daily Dose:  0.966
Skin Sensitization:  0.457
Carcinogencity:  0.744
Eye Corrosion:  0.004
Eye Irritation:  0.09
Respiratory Toxicity:  0.97

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

  Natural Product: NPC201562

Natural Product ID:  NPC201562
Common Name*:   Blumenol A
IUPAC Name:   (4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
Synonyms:  
Standard InCHIKey:  KPQMCAKZRXOZLB-KOIHBYQTSA-N
Standard InCHI:  InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1
SMILES:  C[C@H](/C=C/[C@@]1(O)C(=CC(=O)CC1(C)C)C)O
Synthetic Gene Cluster:   n.a.
ChEMBL Identifier:   CHEMBL463088
PubChem CID:   5280462
Chemical Classification**:  
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000012] Lipids and lipid-like molecules
      • [CHEMONTID:0000259] Prenol lipids
        • [CHEMONTID:0001550] Sesquiterpenoids

*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
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. Nigeria(latitude 80°N and longitude 4°E) 2005; 2006 DOI[10.1002/ejlt.201000080]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11306-010-0259-y]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11306-014-0638-x]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11746-997-0093-1]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota n.a. seed n.a. DOI[10.1016/0031-9422(96)00258-0]
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.bse.2004.02.008]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers n.a. n.a. DOI[10.1016/j.foodchem.2009.03.042]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.phytol.2008.07.007]
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota n.a. seed n.a. DOI[10.1016/S0031-9422(00)97029-8]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota n.a. fruit n.a. DOI[10.1016/S1383-5769(99)00023-9]
NPO23656 Typha latifolia Species Typhaceae Eukaryota n.a. n.a. n.a. DOI[10.1021/np50070a031]
NPO31345 Perrottetia multiflora Species Dipentodontaceae Eukaryota n.a. aerial part n.a. DOI[10.1021/np50105a013]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Seeds Plovdiv, Plovdiv region in South Bulgaria DOI[10.1051/CTV/20163101031]
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota n.a. n.a. n.a. DOI[10.1080/01496395.2011.635623]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers n.a. n.a. DOI[10.3136/fstr.15.499]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers n.a. n.a. DOI[10.5897/AJB10.140]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers n.a. n.a. DOI[10.5897/AJB2010.000-3252]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota Flowers n.a. n.a. DOI[10.5897/JMPR.9000078]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota n.a. n.a. n.a. PMID[10086989]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. kernel n.a. PMID[10670815]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[11170689]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. fruit n.a. PMID[11312782]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. leaf n.a. PMID[11312782]
NPO15659 Zanthoxylum tetraspermum Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[11324918]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[11374950]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[11408943]
NPO11884 Macaranga tanarius Species Euphorbiaceae Eukaryota n.a. leaf n.a. PMID[11421757]
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[11473439]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. fruit n.a. PMID[12105962]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. flower n.a. PMID[12130858]
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[12141863]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota n.a. Indonesia n.a. PMID[12467611]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota aerial parts Bangdung, Indonesia 2000-Aug PMID[12608860]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. PMID[14600382]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota n.a. Taiwan n.a. PMID[15104497]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota n.a. n.a. n.a. PMID[1512598]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota Seeds n.a. n.a. PMID[15165151]
NPO12181 Albizia julibrissin Species Fabaceae Eukaryota n.a. bark n.a. PMID[15283458]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota n.a. n.a. n.a. PMID[15387648]
NPO15063 Leathesia nana Species Chordariaceae Eukaryota n.a. n.a. n.a. PMID[15497936]
NPO12181 Albizia julibrissin Species Fabaceae Eukaryota n.a. stem n.a. PMID[15577257]
NPO15520 Dracocephalum kotschyi Species Lamiaceae Eukaryota n.a. leaf n.a. PMID[15949825]
NPO11884 Macaranga tanarius Species Euphorbiaceae Eukaryota leaves Krachong waterfall area, Trang Province, Thailand 2001-APR PMID[15974621]
NPO11884 Macaranga tanarius Species Euphorbiaceae Eukaryota n.a. leaf n.a. PMID[15974621]
NPO9516 Gnetum latifolium Species Gnetaceae Eukaryota stem bark Veikabu bridge along the Hiritano highway 40 km from Port Moresby, Papua New Guinea 1998-FEB PMID[16038553]
NPO6978 Boronella koniambiensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[16038554]
NPO6160 Vaccinium oxycoccos Species Ericaceae Eukaryota n.a. fruit n.a. PMID[16417304]
NPO651 Aconitum vilmorinianum Species Ranunculaceae Eukaryota n.a. root n.a. PMID[17226159]
NPO13952 Streptomyces lavendulae Species Streptomycetaceae Bacteria n.a. n.a. n.a. PMID[17237222]
NPO9771 Aka coralliphagum Species Niphatidae Eukaryota n.a. San Salvador in the Bahamas (12-26 m depth) 2001-MAR; 2003-JUL PMID[17309298]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota fruit Indonesia n.a. PMID[17896817]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Fruits Malatya Fruit Research Institute between the first and third weeks of 2005-Jul. PMID[18038980]
NPO4083 Brevibacillus laterosporus Species Paenibacillaceae Bacteria n.a. n.a. n.a. PMID[18044840]
NPO21944 Laurencia mariannensis Species Rhodomelaceae Eukaryota n.a. n.a. n.a. PMID[18076141]
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota seeds n.a. n.a. PMID[18603435]
NPO15146 Myrica nana Species Myricaceae Eukaryota n.a. n.a. n.a. PMID[18723353]
NPO11884 Macaranga tanarius Species Euphorbiaceae Eukaryota n.a. leaf n.a. PMID[18844422]
NPO11884 Macaranga tanarius Species Euphorbiaceae Eukaryota leaves n.a. n.a. PMID[18844422]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota n.a. Vietnam n.a. PMID[19026551]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. Esuela Tecnica Superior de Ingenieros Agrónomos de Albacete 2007 PMID[19256538]
NPO2237 Solanum lyratum Species Solanaceae Eukaryota n.a. whole plant n.a. PMID[19336938]
NPO17039 Pharbitis nil Species Convolvulaceae Eukaryota Seeds n.a. n.a. PMID[19435339]
NPO5910 Phoma medicaginis Species Didymellaceae Eukaryota n.a. n.a. n.a. PMID[19795903]
NPO11917 Asterospicularia laurae Species Xeniidae Eukaryota n.a. n.a. n.a. PMID[19863101]
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota n.a. n.a. n.a. PMID[19919095]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota seeds n.a. n.a. PMID[20050684]
NPO17094 Sinularia depressa Species Alcyoniidae Eukaryota n.a. n.a. n.a. PMID[20121250]
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota Seeds n.a. n.a. PMID[20469887]
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota n.a. n.a. n.a. PMID[20476749]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[20826702]
NPO23218 Viscum coloratum Species Viscaceae Eukaryota n.a. aerial part n.a. PMID[2082684]
NPO4181 Pseudoalteromonas luteoviolacea Species Pseudoalteromonadaceae Bacteria n.a. n.a. n.a. PMID[20973551]
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota rhizomes n.a. n.a. PMID[21353549]
NPO15884 Dodonaea polyandra Species Sapindaceae Eukaryota n.a. n.a. n.a. PMID[21381684]
NPO15884 Dodonaea polyandra Species Sapindaceae Eukaryota n.a. leaf n.a. PMID[21381684]
NPO15884 Dodonaea polyandra Species Sapindaceae Eukaryota n.a. stem n.a. PMID[21381684]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21800857]
NPO23218 Viscum coloratum Species Viscaceae Eukaryota n.a. aerial part n.a. PMID[21922656]
NPO5877 Morus yunnanensis Species Moraceae Eukaryota n.a. n.a. n.a. PMID[22165973]
NPO13952 Streptomyces lavendulae Species Streptomycetaceae Bacteria n.a. n.a. n.a. PMID[22187429]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota Seeds n.a. n.a. PMID[22506620]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[22537213]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota Fruits n.a. n.a. PMID[22703163]
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota flower buds and leaves Khon Kaen province, Thailand 2010 PMID[23270663]
NPO17094 Sinularia depressa Species Alcyoniidae Eukaryota n.a. Hainan soft coral n.a. PMID[23357636]
NPO11402 Tithonia rotundifolia Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[23501116]
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota Leaves n.a. n.a. PMID[23642481]
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota n.a. rhizome n.a. PMID[23713285]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[23759170]
NPO651 Aconitum vilmorinianum Species Ranunculaceae Eukaryota n.a. n.a. n.a. PMID[23784883]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota Fruits n.a. n.a. PMID[24328283]
NPO15884 Dodonaea polyandra Species Sapindaceae Eukaryota n.a. n.a. n.a. PMID[24400858]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Stalks n.a. n.a. PMID[24521157]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers Tongxiang, China n.a. PMID[24621197]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. aerial part n.a. PMID[24704554]
NPO13847 Streptomyces avermectinius Species Streptomycetaceae Bacteria n.a. n.a. n.a. PMID[25611131]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota Twigs n.a. n.a. PMID[25894905]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[26099993]
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota rhizomes n.a. n.a. PMID[26296476]
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota n.a. n.a. n.a. PMID[26305406]
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota Flowers n.a. n.a. PMID[26462418]
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota n.a. n.a. n.a. PMID[26473275]
NPO15520 Dracocephalum kotschyi Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[26522747]
NPO25653 Spatholobus suberectus Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[26690274]
NPO10899 Ophioparma ventosa Species Ophioparmaceae Eukaryota n.a. n.a. n.a. PMID[26934105]
NPO7718 Peucedanum palustre Species Apiaceae Eukaryota n.a. root n.a. PMID[27133212]
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota n.a. n.a. n.a. PMID[27617953]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota Flowers n.a. n.a. PMID[28156114]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers n.a. n.a. PMID[28248102]
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota Roots n.a. n.a. PMID[28257196]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota Twigs n.a. n.a. PMID[28358502]
NPO23000 Zephyranthes carinata Species Amaryllidaceae Eukaryota Whole Plants n.a. n.a. PMID[28898076]
NPO11884 Macaranga tanarius Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[28972755]
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota n.a. n.a. n.a. PMID[29099182]
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota Rhizomes n.a. n.a. PMID[29116780]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[29400471]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Seeds Benedictine Pannonhalma Archabbey, Hungary PMID[29803478]
NPO40939 Syzygium corticosum Species Myrtaceae Eukaryota n.a. n.a. n.a. PMID[30057155]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota Aerial Parts n.a. n.a. PMID[30726671]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[31433178]
NPO3549 Euonymus maackii Species Celastraceae Eukaryota Seeds n.a. n.a. PMID[31713425]
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota Roots n.a. n.a. PMID[32004936]
NPO23218 Viscum coloratum Species Viscaceae Eukaryota n.a. aerial part n.a. PMID[3254039]
NPO23218 Viscum coloratum Species Viscaceae Eukaryota n.a. aerial part n.a. PMID[3256207]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[32935986]
NPO40548 Melochia umbellata var. deglabrata Strain Malvaceae Eukaryota n.a. n.a. n.a. PMID[32946697]
NPO13847 Streptomyces avermectinius Species Streptomycetaceae Bacteria n.a. n.a. n.a. PMID[464561]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota n.a. n.a. n.a. PMID[6481366]
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota n.a. n.a. n.a. PMID[7513747]
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota n.a. n.a. n.a. PMID[7561895]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota n.a. n.a. n.a. PMID[7561896]
NPO211 Aplysina cauliformis Species Aplysinidae Eukaryota n.a. n.a. n.a. PMID[8350091]
NPO12181 Albizia julibrissin Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[9051910]
NPO7808 Viscum album Species Viscaceae Eukaryota n.a. twig n.a. PMID[9179367]
NPO23226 Satureja montana Species Lamiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota Rhizome n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Root Essent. Oil n.a. n.a. Database[FooDB]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Roots n.a. Database[FooDB]
NPO6160 Vaccinium oxycoccos Species Ericaceae Eukaryota n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Fruits n.a. Database[FooDB]
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Leaf Essent. Oil n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Fruits n.a. Database[FooDB]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO5234 Myrica nagi Species Myricaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25653 Spatholobus suberectus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16307 Murraya kwangsiensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO28301 Clerodendron cyrtophyllum n.a. n.a. n.a. n.a. n.a. n.a. Database[HerDing]
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO24390 Juniperus rigida Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO23218 Viscum coloratum Species Viscaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO21807 Lindera umbellata Species Lauraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO1254 Cynanchum bungei Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO13167 Scutellaria amoena Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO6272 Chamaecyparis pisifera Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19929 Jateorhiza palmata Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15520 Dracocephalum kotschyi Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO2237 Solanum lyratum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7808 Viscum album Species Viscaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14111 Maytenus serrata Species Celastraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO10316 Glechoma longituba Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO2340 Caulis spatholobi n.a. n.a. n.a. n.a. n.a. n.a. Database[HerDing]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO23656 Typha latifolia Species Typhaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7718 Peucedanum palustre Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7450 Sida acuta Species Malvaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11884 Macaranga tanarius Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO23141 Angelica ursina Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[MetaboLights]
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO23226 Satureja montana Species Lamiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO6160 Vaccinium oxycoccos Species Ericaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO16307 Murraya kwangsiensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO6272 Chamaecyparis pisifera Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12089 Trifolium alexandrinum Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12181 Albizia julibrissin Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO24390 Juniperus rigida Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17039 Pharbitis nil Species Convolvulaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15520 Dracocephalum kotschyi Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22071 Gentiana olivieri Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO10316 Glechoma longituba Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9516 Gnetum latifolium Species Gnetaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25653 Spatholobus suberectus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22462 Chlorophytum malayense Species Asparagaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12128 Ipomoea purpurea Species Convolvulaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7718 Peucedanum palustre Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19929 Jateorhiza palmata Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11884 Macaranga tanarius Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9047.1 Brassica rapa subsp. oleifera Subspecies Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5482 Gymnanthemum amygdalinum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11641 Solanum laxum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2340 Caulis spatholobi n.a. n.a. n.a. n.a. n.a. n.a. Database[TCMID]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23218 Viscum coloratum Species Viscaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13167 Scutellaria amoena Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7808 Viscum album Species Viscaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21881 Stephania succifera Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2237 Solanum lyratum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7450 Sida acuta Species Malvaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23141 Angelica ursina Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21807 Lindera umbellata Species Lauraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28301 Clerodendron cyrtophyllum n.a. n.a. n.a. n.a. n.a. n.a. Database[TCMID]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14111 Maytenus serrata Species Celastraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO1254 Cynanchum bungei Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5234 Myrica nagi Species Myricaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7686 Semen phaseoli n.a. n.a. n.a. n.a. n.a. n.a. Database[TCMID]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3549 Euonymus maackii Species Celastraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23656 Typha latifolia Species Typhaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16857 Hypericum laricifolium Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO277 Caulis millettiae n.a. n.a. n.a. n.a. n.a. n.a. Database[TCMID]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae 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]
NPO21807 Lindera umbellata Species Lauraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO4795 Prunus armeniaca Species Rosaceae 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]
NPO7718 Peucedanum palustre Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO24390 Juniperus rigida Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO5234 Myrica nagi Species Myricaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO23656 Typha latifolia Species Typhaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO11884 Macaranga tanarius Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO1254 Cynanchum bungei Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO16307 Murraya kwangsiensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO2237 Solanum lyratum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO12181 Albizia julibrissin Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO14111 Maytenus serrata Species Celastraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO19929 Jateorhiza palmata Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO10316 Glechoma longituba Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO25653 Spatholobus suberectus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO13427 Erinaceus europaeus Species Erinaceidae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO13167 Scutellaria amoena Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO7450 Sida acuta Species Malvaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO10316 Glechoma longituba Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO7808 Viscum album Species Viscaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO4795 Prunus armeniaca Species Rosaceae 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]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO23218 Viscum coloratum Species Viscaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO12181 Albizia julibrissin Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO25902 Glechoma grandis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO9047.1 Brassica rapa subsp. oleifera Subspecies Brassicaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO12128 Ipomoea purpurea Species Convolvulaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO17039 Pharbitis nil Species Convolvulaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO25653 Spatholobus suberectus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO10452 Odontites rubra Species Orobanchaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16611 Alstonia spathulata Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5234 Myrica nagi Species Myricaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22137 Vernonia serratuloides Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23656 Typha latifolia Species Typhaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17702 Astragalus sempervirens Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15679 Amyris marshii Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12128 Ipomoea purpurea Species Convolvulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16311 Rusavskia elegans Species Teloschistaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22071 Gentiana olivieri Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11432 Centrolobium tomentosum Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10818 Carpobrotus edulis Species Aizoaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16369 Lepisorus ussuriensis Species Polypodiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15178 Psychotria bahiensis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12089 Trifolium alexandrinum Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3164 Yponomeuta malinellus Species Yponomeutidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14914 Esox saurus Species Esocidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19929 Jateorhiza palmata Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21881 Stephania succifera Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10316 Glechoma longituba Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22518 Gnetum cleistostachyum Species Gnetaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5750 Monomorium floricola Species Formicidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21807 Lindera umbellata Species Lauraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13606 Iris pallasii Species Iridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4181 Pseudoalteromonas luteoviolacea Species Pseudoalteromonadaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO14310 Tecoma heptaphylla Species Bignoniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7718 Peucedanum palustre Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13273 Maytenus loeseneri Species Celastraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15570 Plectranthus mollis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22952 Senecio grandiflorus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5303 Castanea crenata Species Fagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11402 Tithonia rotundifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO908 Euphorbia clarkeana Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8671 Physalis solanaceus Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20726 Ophioplocus japonicus Species Ophiolepididae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24390 Juniperus rigida Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11084 Asplenium normale Species Aspleniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20964 Picradeniopsis oppositifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17094 Sinularia depressa Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7077 Canarium strictum Species Burseraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10899 Ophioparma ventosa Species Ophioparmaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13952 Streptomyces lavendulae Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO3549 Euonymus maackii Species Celastraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13582 Leucopaxillus giganteus Species Tricholomataceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4385 Aconitum zuccarini Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16089 Dumortiera hirsuta Species Dumortieraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14604 Dipteronia dyeriana Species Aceraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23141 Angelica ursina Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21724 Sabina sargentii n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO7792 Coreopsis grandiflora Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14859 Bishovia boliviensis n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO5910 Phoma medicaginis Species Didymellaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14528 Pneumatospora obcoronata n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO14747 Usnea florida Species Parmeliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7562 Premna odorata Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14222 Schefflera divaricata Species Araliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22197 Eriogaster lanestris Species Lasiocampidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO651 Aconitum vilmorinianum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16307 Murraya kwangsiensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15467 Hedysarum connatum Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16625 Phalaenopsis aphrodite Species Orchidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22717 Pinus thunbergii Species Pinaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11538 Salvia syriaca Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17169 Adiantum lunulatum Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11962 Garcinia macrophylla Species Clusiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15659 Zanthoxylum tetraspermum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12181 Albizia julibrissin Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16493 Nasutitermes ephratae Species Termitoidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2607 Ophiorrhiza blumeana Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4083 Brevibacillus laterosporus Species Paenibacillaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO12547 Viburnum chingii Species Adoxaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2684 Cortinarius vinosipes Species Cortinariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13167 Scutellaria amoena Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11376 Schistostephium rotundifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12470 Brachyspira hyodysenteriae Species Brachyspiraceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO11166 Sclerodoris tanya n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO4325 Blastochloris viridis Species Hyphomicrobiaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO22056.1 Streptomyces fervens Subspecies Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO21384 Tetraria capillaris Species Cyperaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12951 Talaromyces coalescens Species Trichocomaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23226 Satureja montana Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25653 Spatholobus suberectus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15227 Helipterum roseum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11758 Parmelia pokornyi Species Parmeliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14150 Solanum jamaicense Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15552 Anacystis montana n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO17242 Laurencia spectabilis Species Rhodomelaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17865 Amathia pinnata Species Vesiculariidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13847 Streptomyces avermectinius Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO11644 Prosopis ruscifolia Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13740 Aconitum kamtschaticum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11917 Asterospicularia laurae Species Xeniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6881 Caragana aurantiaca Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23218 Viscum coloratum Species Viscaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14948 Brucea javanica Species Simaroubaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21944 Laurencia mariannensis Species Rhodomelaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9516 Gnetum latifolium Species Gnetaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16731 Phoebe pittieri Species Lauraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12717 Parmelia metastrigosa Species Parmeliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10353 Rauvolfia tetraphylla Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17942 Wikstroemia retusa Species Thymelaeaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13427 Erinaceus europaeus Species Erinaceidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO211 Aplysina cauliformis Species Aplysinidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13407 Goniothalamus malayanus Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1723 Sideritis syriaca Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15434 Rhodomicrobium vannielii Species Hyphomicrobiaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO17472 Drechslera avenae Species Pleosporaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17039 Pharbitis nil Species Convolvulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7320 Nicotiana gossei Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11873 Oecophylla smaragdina Species Formicidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14637 Saussurea cordifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9203 Cephalonomia gallicola Species Bethylidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9047.1 Brassica rapa subsp. oleifera Subspecies Brassicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20100 Ephedra lomatolepis Species Ephedraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2507 Rumex maritimus Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21680 Saussurea triangulata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6978 Boronella koniambiensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11637 Psilostrophe cooperi Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22015 Clausena indica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15803 Artemisia assoana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23062 Melibe leonina Species Dendronotidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15884 Dodonaea polyandra Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16857 Hypericum laricifolium Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5482 Gymnanthemum amygdalinum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8506 Cotyledon secunda Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22773 Teucrium alyssifolium Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21545 Maytenus guianensis Species Celastraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22053 Vepris pilosa Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1611 Talaromyces pinophilus Species Trichocomaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12222 Baccharis angustifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17400 Peltostigma guatemalense Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22395 Ardisia macrocarpa Species Primulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1641 Amycolatopsis azurea Species Pseudonocardiaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO15520 Dracocephalum kotschyi Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16541 Veratrum stenophyllum Species Melanthiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23000 Zephyranthes carinata Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9771 Aka coralliphagum Species Niphatidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17786 Marrubium anisodon Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10417 Ipomoea digitata Species Convolvulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14529 Asterias rubens Species Asteriidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26256 Zanthoxylum chiriquinum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23183 Pinus halepensis Species Pinaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21140 Igernella notabilis Species Dictyodendrillidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7450 Sida acuta Species Malvaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23101 Ircinia aruensis Species Irciniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5877 Morus yunnanensis Species Moraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12703 Eucalyptus melliodora Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6160 Vaccinium oxycoccos Species Ericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11080 Adenia volkensii Species Passifloraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17544 Acacia adunca Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22911 Enterococcus faecalis Species Enterococcaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14664 Stevia salicifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14442 Gouania microcarpa Species Gobiesocidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9386 Ectropis bicolor Species Geometridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3964 Calostephane divaricata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14111 Maytenus serrata Species Celastraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16275 Pterocaulon rugosum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22462 Chlorophytum malayense Species Asparagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26718 Chelidonura fulvipunctata Species Aglajidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12457 Siphocampylus verticillatus Species Campanulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15146 Myrica nana Species Myricaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18022 Naucleopsis ternstroemiiflora Species Moraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11641 Solanum laxum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14395 Lysimachia mauritiana Species Primulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15312 Coelogorgia palmosa Species Coelogorgiidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12944 Sideritis tragoriganum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14749 Lippia carviodora Species Verbenaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11884 Macaranga tanarius Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14845 Ceratophyllum submersum Species Ceratophyllaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15159 Podocarpus salignus Species Podocarpaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13119 Hymenoxys microcephala Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7808 Viscum album Species Viscaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6272 Chamaecyparis pisifera Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16109 Actinidia kolomikta Species Actinidiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17633 Viguiera incana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3697 Ongokea klaineana Species Aptandraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15063 Leathesia nana Species Chordariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10989 Annona cornifolia Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2237 Solanum lyratum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21745 Phleum africanum Species Poaceae 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

☑ 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
NPT211 Individual Protein Hypoxia-inducible factor 1 alpha Homo sapiens IC50 = 15800.0 nM PMID[543747]
NPT76 Cell Line C6 Rattus norvegicus Activity = 122.2 % PMID[543748]
NPT76 Cell Line C6 Rattus norvegicus Activity = 101.0 % PMID[543748]
NPT848 Cell Line N9 Homo sapiens IC50 = 43490.0 nM PMID[543750]
NPT139 Cell Line HT-29 Homo sapiens IC50 > 10000.0 nM PMID[543751]
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 10000.0 nM PMID[543751]
NPT400 Cell Line MDA-MB-435 Homo sapiens IC50 > 10000.0 nM PMID[543751]
NPT377 Cell Line OVCAR-3 Homo sapiens IC50 > 10000.0 nM PMID[543751]
NPT81 Cell Line A549 Homo sapiens IC50 > 10000.0 nM PMID[543752]
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 10000.0 nM PMID[543752]
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10000.0 nM PMID[543752]
NPT91 Cell Line KB Homo sapiens IC50 > 10000.0 nM PMID[543752]
NPT364 Organism Lactuca sativa Lactuca sativa Activity = 30.0 % PMID[543745]
NPT2 Others Unspecified IC50 = 12300.0 nM PMID[543747]
NPT20904 CELL-LINE Hep 3B2 Homo sapiens IC50 = 26200.0 nM PMID[543747]
NPT721 Individual Protein Nuclear factor NF-kappa-B p65 subunit Homo sapiens IC50 > 10000.0 nM PMID[543751]
NPT2 Others Unspecified IC50 > 10000.0 nM PMID[543752]

☑ 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 NPC201562 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC323437
1.0 High Similarity NPC29542
0.9265 High Similarity NPC136473
0.9254 High Similarity NPC269985
0.9143 High Similarity NPC186042
0.8873 High Similarity NPC153660
0.8696 High Similarity NPC106613
0.8667 High Similarity NPC19900
0.863 High Similarity NPC225665
0.863 High Similarity NPC166018
0.863 High Similarity NPC169056
0.8571 High Similarity NPC117804
0.8493 Intermediate Similarity NPC215050
0.84 Intermediate Similarity NPC82666
0.8333 Intermediate Similarity NPC158411
0.8333 Intermediate Similarity NPC38796
0.8312 Intermediate Similarity NPC160582
0.8289 Intermediate Similarity NPC475994
0.8219 Intermediate Similarity NPC95863
0.8182 Intermediate Similarity NPC308038
0.8158 Intermediate Similarity NPC97173
0.8077 Intermediate Similarity NPC172013
0.8026 Intermediate Similarity NPC263582
0.7971 Intermediate Similarity NPC269737
0.7927 Intermediate Similarity NPC472974
0.7922 Intermediate Similarity NPC74995
0.7895 Intermediate Similarity NPC114236
0.7875 Intermediate Similarity NPC93590
0.7875 Intermediate Similarity NPC279186
0.7848 Intermediate Similarity NPC148685
0.7848 Intermediate Similarity NPC104120
0.7848 Intermediate Similarity NPC157895
0.7821 Intermediate Similarity NPC62336
0.7805 Intermediate Similarity NPC476426
0.7792 Intermediate Similarity NPC7629
0.7792 Intermediate Similarity NPC151622
0.7778 Intermediate Similarity NPC251475
0.7778 Intermediate Similarity NPC169941
0.7765 Intermediate Similarity NPC134321
0.7722 Intermediate Similarity NPC152061
0.7722 Intermediate Similarity NPC281138
0.7711 Intermediate Similarity NPC472985
0.7711 Intermediate Similarity NPC194417
0.7711 Intermediate Similarity NPC472986
0.7701 Intermediate Similarity NPC78159
0.7692 Intermediate Similarity NPC34110
0.7692 Intermediate Similarity NPC203403
0.7692 Intermediate Similarity NPC197659
0.7683 Intermediate Similarity NPC40687
0.7683 Intermediate Similarity NPC476412
0.7674 Intermediate Similarity NPC116726
0.7674 Intermediate Similarity NPC475441
0.7647 Intermediate Similarity NPC472973
0.7632 Intermediate Similarity NPC247586
0.7625 Intermediate Similarity NPC45495
0.7625 Intermediate Similarity NPC471514
0.7614 Intermediate Similarity NPC476245
0.7595 Intermediate Similarity NPC471409
0.7595 Intermediate Similarity NPC275494
0.7595 Intermediate Similarity NPC231739
0.7595 Intermediate Similarity NPC478122
0.759 Intermediate Similarity NPC179006
0.759 Intermediate Similarity NPC474853
0.7568 Intermediate Similarity NPC45264
0.7564 Intermediate Similarity NPC470525
0.7561 Intermediate Similarity NPC64600
0.7561 Intermediate Similarity NPC105173
0.7558 Intermediate Similarity NPC128672
0.7536 Intermediate Similarity NPC311852
0.7531 Intermediate Similarity NPC226068
0.7531 Intermediate Similarity NPC6663
0.7531 Intermediate Similarity NPC470298
0.7529 Intermediate Similarity NPC471791
0.7529 Intermediate Similarity NPC471793
0.75 Intermediate Similarity NPC7232
0.75 Intermediate Similarity NPC196227
0.75 Intermediate Similarity NPC48891
0.7471 Intermediate Similarity NPC475806
0.7471 Intermediate Similarity NPC472978
0.747 Intermediate Similarity NPC7927
0.747 Intermediate Similarity NPC230527
0.7468 Intermediate Similarity NPC471061
0.7468 Intermediate Similarity NPC85105
0.7468 Intermediate Similarity NPC266193
0.7468 Intermediate Similarity NPC325946
0.7468 Intermediate Similarity NPC257666
0.7468 Intermediate Similarity NPC149550
0.7444 Intermediate Similarity NPC474194
0.7442 Intermediate Similarity NPC472983
0.7416 Intermediate Similarity NPC271195
0.7416 Intermediate Similarity NPC259286
0.7412 Intermediate Similarity NPC287079
0.7407 Intermediate Similarity NPC472301
0.7407 Intermediate Similarity NPC271104
0.7391 Intermediate Similarity NPC71755
0.7381 Intermediate Similarity NPC70685
0.7381 Intermediate Similarity NPC52628
0.7375 Intermediate Similarity NPC297996
0.7368 Intermediate Similarity NPC107848
0.7363 Intermediate Similarity NPC81483
0.7363 Intermediate Similarity NPC61630
0.7363 Intermediate Similarity NPC307517
0.7363 Intermediate Similarity NPC169468
0.7356 Intermediate Similarity NPC230332
0.7356 Intermediate Similarity NPC48010
0.7342 Intermediate Similarity NPC469646
0.7342 Intermediate Similarity NPC472305
0.7342 Intermediate Similarity NPC250621
0.7333 Intermediate Similarity NPC249954
0.7333 Intermediate Similarity NPC469688
0.7333 Intermediate Similarity NPC469679
0.7326 Intermediate Similarity NPC474854
0.7317 Intermediate Similarity NPC474980
0.7317 Intermediate Similarity NPC136150
0.7308 Intermediate Similarity NPC144995
0.7308 Intermediate Similarity NPC227814
0.7303 Intermediate Similarity NPC472976
0.7303 Intermediate Similarity NPC472977
0.7303 Intermediate Similarity NPC8993
0.7303 Intermediate Similarity NPC299100
0.7294 Intermediate Similarity NPC82979
0.7294 Intermediate Similarity NPC94666
0.7294 Intermediate Similarity NPC476043
0.7294 Intermediate Similarity NPC198761
0.7294 Intermediate Similarity NPC470955
0.7273 Intermediate Similarity NPC172101
0.7273 Intermediate Similarity NPC474884
0.7273 Intermediate Similarity NPC319163
0.7273 Intermediate Similarity NPC472975
0.7273 Intermediate Similarity NPC252433
0.7273 Intermediate Similarity NPC67076
0.7273 Intermediate Similarity NPC84790
0.7262 Intermediate Similarity NPC227132
0.7262 Intermediate Similarity NPC219966
0.7262 Intermediate Similarity NPC31086
0.7262 Intermediate Similarity NPC472326
0.7262 Intermediate Similarity NPC470812
0.725 Intermediate Similarity NPC97377
0.725 Intermediate Similarity NPC86917
0.725 Intermediate Similarity NPC476007
0.7241 Intermediate Similarity NPC473999
0.7241 Intermediate Similarity NPC214387
0.7241 Intermediate Similarity NPC2983
0.7241 Intermediate Similarity NPC309603
0.7241 Intermediate Similarity NPC473100
0.7241 Intermediate Similarity NPC123912
0.7222 Intermediate Similarity NPC260573
0.7222 Intermediate Similarity NPC321867
0.7222 Intermediate Similarity NPC68679
0.7222 Intermediate Similarity NPC272617
0.7222 Intermediate Similarity NPC316215
0.7222 Intermediate Similarity NPC180950
0.7222 Intermediate Similarity NPC207007
0.7215 Intermediate Similarity NPC476346
0.7215 Intermediate Similarity NPC474011
0.7209 Intermediate Similarity NPC136548
0.7209 Intermediate Similarity NPC312561
0.7209 Intermediate Similarity NPC471792
0.7204 Intermediate Similarity NPC115862
0.72 Intermediate Similarity NPC96962
0.7195 Intermediate Similarity NPC306095
0.7195 Intermediate Similarity NPC2482
0.7195 Intermediate Similarity NPC74086
0.7191 Intermediate Similarity NPC474736
0.7191 Intermediate Similarity NPC472930
0.7191 Intermediate Similarity NPC69454
0.7179 Intermediate Similarity NPC180015
0.7179 Intermediate Similarity NPC275098
0.7179 Intermediate Similarity NPC130016
0.7179 Intermediate Similarity NPC56747
0.7179 Intermediate Similarity NPC109576
0.7176 Intermediate Similarity NPC79573
0.7176 Intermediate Similarity NPC471224
0.7176 Intermediate Similarity NPC15807
0.7176 Intermediate Similarity NPC274724
0.7176 Intermediate Similarity NPC255174
0.7176 Intermediate Similarity NPC470574
0.7176 Intermediate Similarity NPC474083
0.7174 Intermediate Similarity NPC103051
0.7159 Intermediate Similarity NPC477149
0.7159 Intermediate Similarity NPC473099
0.7159 Intermediate Similarity NPC477147
0.7143 Intermediate Similarity NPC110150
0.7143 Intermediate Similarity NPC41539
0.7143 Intermediate Similarity NPC286154
0.7143 Intermediate Similarity NPC173321
0.7143 Intermediate Similarity NPC117133
0.7143 Intermediate Similarity NPC268185
0.7143 Intermediate Similarity NPC477785
0.7143 Intermediate Similarity NPC477786
0.7143 Intermediate Similarity NPC66764
0.7143 Intermediate Similarity NPC477784
0.7126 Intermediate Similarity NPC472802
0.7126 Intermediate Similarity NPC104560
0.7126 Intermediate Similarity NPC476796
0.7126 Intermediate Similarity NPC48107
0.7126 Intermediate Similarity NPC158778
0.7125 Intermediate Similarity NPC186554
0.7125 Intermediate Similarity NPC1973
0.7125 Intermediate Similarity NPC76966

  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 NPC201562 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.7294 Intermediate Similarity NPD3618 Phase 1
0.7222 Intermediate Similarity NPD368 Approved
0.7195 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD1696 Phase 3
0.7093 Intermediate Similarity NPD4519 Discontinued
0.7093 Intermediate Similarity NPD4623 Approved
0.7059 Intermediate Similarity NPD3665 Phase 1
0.7059 Intermediate Similarity NPD3133 Approved
0.7059 Intermediate Similarity NPD3666 Approved
0.6951 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6897 Remote Similarity NPD5279 Phase 3
0.6889 Remote Similarity NPD6079 Approved
0.6854 Remote Similarity NPD5328 Approved
0.6842 Remote Similarity NPD7331 Phase 2
0.6824 Remote Similarity NPD3667 Approved
0.6813 Remote Similarity NPD4202 Approved
0.6806 Remote Similarity NPD287 Approved
0.679 Remote Similarity NPD8264 Approved
0.6771 Remote Similarity NPD5211 Phase 2
0.6744 Remote Similarity NPD6110 Phase 1
0.6703 Remote Similarity NPD7515 Phase 2
0.6667 Remote Similarity NPD4753 Phase 2
0.6667 Remote Similarity NPD5210 Approved
0.6667 Remote Similarity NPD4629 Approved
0.6667 Remote Similarity NPD4786 Approved
0.6633 Remote Similarity NPD5141 Approved
0.6628 Remote Similarity NPD4223 Phase 3
0.6628 Remote Similarity NPD4221 Approved
0.6596 Remote Similarity NPD5221 Approved
0.6596 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6596 Remote Similarity NPD4697 Phase 3
0.6596 Remote Similarity NPD5222 Approved
0.6593 Remote Similarity NPD5785 Approved
0.6591 Remote Similarity NPD5363 Approved
0.6591 Remote Similarity NPD1694 Approved
0.6588 Remote Similarity NPD4695 Discontinued
0.6588 Remote Similarity NPD4252 Approved
0.6562 Remote Similarity NPD5286 Approved
0.6562 Remote Similarity NPD5285 Approved
0.6562 Remote Similarity NPD4696 Approved
0.6533 Remote Similarity NPD4191 Approved
0.6533 Remote Similarity NPD4192 Approved
0.6533 Remote Similarity NPD4194 Approved
0.6533 Remote Similarity NPD4193 Approved
0.6528 Remote Similarity NPD4219 Approved
0.6526 Remote Similarity NPD4755 Approved
0.6526 Remote Similarity NPD5173 Approved
0.6517 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6517 Remote Similarity NPD5690 Phase 2
0.6495 Remote Similarity NPD5223 Approved
0.6477 Remote Similarity NPD4197 Approved
0.6437 Remote Similarity NPD4270 Approved
0.6437 Remote Similarity NPD4269 Approved
0.6429 Remote Similarity NPD5224 Approved
0.6429 Remote Similarity NPD5226 Approved
0.6429 Remote Similarity NPD4633 Approved
0.6429 Remote Similarity NPD5225 Approved
0.6404 Remote Similarity NPD5329 Approved
0.64 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6392 Remote Similarity NPD4700 Approved
0.6389 Remote Similarity NPD342 Phase 1
0.6383 Remote Similarity NPD7748 Approved
0.6375 Remote Similarity NPD4137 Phase 3
0.6364 Remote Similarity NPD5175 Approved
0.6364 Remote Similarity NPD5174 Approved
0.6354 Remote Similarity NPD7902 Approved
0.6353 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6344 Remote Similarity NPD5281 Approved
0.6344 Remote Similarity NPD5284 Approved
0.6341 Remote Similarity NPD4732 Discontinued
0.6333 Remote Similarity NPD5205 Approved
0.6333 Remote Similarity NPD4693 Phase 3
0.6333 Remote Similarity NPD4138 Approved
0.6333 Remote Similarity NPD4694 Approved
0.6333 Remote Similarity NPD4688 Approved
0.6333 Remote Similarity NPD5280 Approved
0.6333 Remote Similarity NPD4690 Approved
0.6333 Remote Similarity NPD4689 Approved
0.6296 Remote Similarity NPD4747 Approved
0.6296 Remote Similarity NPD4691 Approved
0.6292 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6289 Remote Similarity NPD4225 Approved
0.6282 Remote Similarity NPD7341 Phase 2
0.6279 Remote Similarity NPD4195 Approved
0.6265 Remote Similarity NPD4687 Approved
0.6265 Remote Similarity NPD4058 Approved
0.6262 Remote Similarity NPD7115 Discovery
0.6224 Remote Similarity NPD7639 Approved
0.6224 Remote Similarity NPD7640 Approved
0.622 Remote Similarity NPD5276 Approved
0.6211 Remote Similarity NPD5282 Discontinued
0.6207 Remote Similarity NPD7514 Phase 3
0.6207 Remote Similarity NPD4821 Approved
0.6207 Remote Similarity NPD7332 Phase 2
0.6207 Remote Similarity NPD4819 Approved
0.6207 Remote Similarity NPD4822 Approved
0.6207 Remote Similarity NPD4820 Approved
0.62 Remote Similarity NPD4754 Approved
0.6196 Remote Similarity NPD4518 Approved
0.619 Remote Similarity NPD8039 Approved
0.6186 Remote Similarity NPD6083 Phase 2
0.6186 Remote Similarity NPD6084 Phase 2
0.618 Remote Similarity NPD5362 Discontinued
0.6176 Remote Similarity NPD5697 Approved
0.6164 Remote Similarity NPD4627 Clinical (unspecified phase)
0.6163 Remote Similarity NPD4268 Approved
0.6163 Remote Similarity NPD3617 Approved
0.6163 Remote Similarity NPD4271 Approved
0.6154 Remote Similarity NPD5786 Approved
0.6154 Remote Similarity NPD7521 Approved
0.6154 Remote Similarity NPD7334 Approved
0.6154 Remote Similarity NPD6409 Approved
0.6154 Remote Similarity NPD5330 Approved
0.6154 Remote Similarity NPD6684 Approved
0.6154 Remote Similarity NPD7146 Approved
0.6146 Remote Similarity NPD5695 Phase 3
0.6146 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6136 Remote Similarity NPD5369 Approved
0.6122 Remote Similarity NPD7638 Approved
0.6122 Remote Similarity NPD5696 Approved
0.6117 Remote Similarity NPD6881 Approved
0.6117 Remote Similarity NPD6899 Approved
0.6117 Remote Similarity NPD6011 Approved
0.6117 Remote Similarity NPD4729 Approved
0.6117 Remote Similarity NPD4730 Approved
0.6111 Remote Similarity NPD3668 Phase 3
0.6105 Remote Similarity NPD5779 Approved
0.6105 Remote Similarity NPD5778 Approved
0.6105 Remote Similarity NPD6399 Phase 3
0.6095 Remote Similarity NPD6650 Approved
0.6095 Remote Similarity NPD6649 Approved
0.6087 Remote Similarity NPD3573 Approved
0.6078 Remote Similarity NPD5739 Approved
0.6078 Remote Similarity NPD4767 Approved
0.6078 Remote Similarity NPD7128 Approved
0.6078 Remote Similarity NPD4768 Approved
0.6078 Remote Similarity NPD6675 Approved
0.6078 Remote Similarity NPD6402 Approved
0.6071 Remote Similarity NPD5733 Approved
0.6067 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6067 Remote Similarity NPD5209 Approved
0.6064 Remote Similarity NPD4096 Approved
0.6058 Remote Similarity NPD6014 Approved
0.6058 Remote Similarity NPD6373 Approved
0.6058 Remote Similarity NPD6013 Approved
0.6058 Remote Similarity NPD6372 Approved
0.6058 Remote Similarity NPD6012 Approved
0.6047 Remote Similarity NPD4756 Discovery
0.6042 Remote Similarity NPD7900 Approved
0.6042 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6026 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6023 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6022 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6022 Remote Similarity NPD6903 Approved
0.6019 Remote Similarity NPD5701 Approved
0.6 Remote Similarity NPD4634 Approved
0.6 Remote Similarity NPD5135 Approved
0.6 Remote Similarity NPD5250 Approved
0.6 Remote Similarity NPD7102 Approved
0.6 Remote Similarity NPD5249 Phase 3
0.6 Remote Similarity NPD5247 Approved
0.6 Remote Similarity NPD7637 Suspended
0.6 Remote Similarity NPD5331 Approved
0.6 Remote Similarity NPD4788 Approved
0.6 Remote Similarity NPD5248 Approved
0.6 Remote Similarity NPD7290 Approved
0.6 Remote Similarity NPD5169 Approved
0.6 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6 Remote Similarity NPD5332 Approved
0.6 Remote Similarity NPD7154 Phase 3
0.6 Remote Similarity NPD5251 Approved
0.6 Remote Similarity NPD3704 Approved
0.6 Remote Similarity NPD6411 Approved
0.6 Remote Similarity NPD6883 Approved
0.5977 Remote Similarity NPD7145 Approved
0.5962 Remote Similarity NPD5168 Approved
0.5962 Remote Similarity NPD7320 Approved
0.5962 Remote Similarity NPD5128 Approved
0.5955 Remote Similarity NPD4790 Discontinued
0.5955 Remote Similarity NPD6902 Approved
0.5943 Remote Similarity NPD5217 Approved
0.5943 Remote Similarity NPD6847 Approved
0.5943 Remote Similarity NPD8130 Phase 1
0.5943 Remote Similarity NPD5127 Approved
0.5943 Remote Similarity NPD5215 Approved
0.5943 Remote Similarity NPD6617 Approved
0.5943 Remote Similarity NPD5216 Approved
0.5943 Remote Similarity NPD6869 Approved
0.593 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5926 Remote Similarity NPD4247 Clinical (unspecified phase)
0.5914 Remote Similarity NPD4751 Clinical (unspecified phase)
0.5909 Remote Similarity NPD7645 Phase 2
0.5904 Remote Similarity NPD7144 Approved
0.5904 Remote Similarity NPD7143 Approved
0.5895 Remote Similarity NPD5207 Approved
0.5888 Remote Similarity NPD6882 Approved
0.5888 Remote Similarity NPD8297 Approved
0.5882 Remote Similarity NPD6926 Approved
0.5882 Remote Similarity NPD6924 Approved
0.5875 Remote Similarity NPD2685 Clinical (unspecified phase)

  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