Structure

Physi-Chem Properties

Molecular Weight:  115.06
Volume:  112.421
LogP:  -2.616
LogD:  -0.824
LogS:  -0.967
# Rotatable Bonds:  1
TPSA:  49.33
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  3

MedChem Properties

QED Drug-Likeness Score:  0.498
Synthetic Accessibility Score:  2.736
Fsp3:  0.8
Lipinski Rule-of-5:  Accepted
Pfizer Rule:  Accepted
GSK Rule:  Accepted
BMS Rule:  0
Golden Triangle Rule:  Rejected
Chelating Alert:  0
PAINS Alert:  0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:  -5.666
MDCK Permeability:  5.077404421172105e-05
Pgp-inhibitor:  0.001
Pgp-substrate:  0.002
Human Intestinal Absorption (HIA):  0.317
20% Bioavailability (F20%):  0.005
30% Bioavailability (F30%):  0.318

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):  0.414
Plasma Protein Binding (PPB):  11.22004508972168%
Volume Distribution (VD):  0.691
Pgp-substrate:  94.76487731933594%

ADMET: Metabolism

CYP1A2-inhibitor:  0.013
CYP1A2-substrate:  0.079
CYP2C19-inhibitor:  0.034
CYP2C19-substrate:  0.083
CYP2C9-inhibitor:  0.005
CYP2C9-substrate:  0.367
CYP2D6-inhibitor:  0.007
CYP2D6-substrate:  0.357
CYP3A4-inhibitor:  0.005
CYP3A4-substrate:  0.025

ADMET: Excretion

Clearance (CL):  5.273
Half-life (T1/2):  0.647

ADMET: Toxicity

hERG Blockers:  0.014
Human Hepatotoxicity (H-HT):  0.109
Drug-inuced Liver Injury (DILI):  0.052
AMES Toxicity:  0.013
Rat Oral Acute Toxicity:  0.132
Maximum Recommended Daily Dose:  0.029
Skin Sensitization:  0.289
Carcinogencity:  0.19
Eye Corrosion:  0.154
Eye Irritation:  0.696
Respiratory Toxicity:  0.363

Download Data

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

  Natural Product: NPC245346

Natural Product ID:  NPC245346
Common Name*:   Proline
IUPAC Name:   pyrrolidin-1-ium-2-carboxylate
Synonyms:   Proline
Standard InCHIKey:  ONIBWKKTOPOVIA-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
SMILES:  C1CC(C(=O)O)NC1
Synthetic Gene Cluster:   n.a.
ChEMBL Identifier:   CHEMBL72275
PubChem CID:   25246272
614
Chemical Classification**:  
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000264] Organic acids and derivatives
      • [CHEMONTID:0000265] Carboxylic acids and derivatives
        • [CHEMONTID:0000013] Amino acids, peptides, and analogues
          • [CHEMONTID:0000347] Amino acids and derivatives
            • [CHEMONTID:0000060] Alpha amino acids and derivatives
              • [CHEMONTID:0004322] Proline and derivatives

*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
NPO784 Sinapis alba Species Brassicaceae Eukaryota n.a. seed n.a. DOI[10.1007/s11418-005-0009-z]
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]
NPO7530 Cucumis sativus Species Cucurbitaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.jfca.2004.07.004]
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.jfca.2005.08.001]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.jfca.2005.08.001]
NPO7530 Cucumis sativus Species Cucurbitaceae 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]
NPO4934 Phaseolus vulgaris Species Fabaceae 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]
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/S0031-9422(00)89267-5]
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota n.a. leaf n.a. DOI[10.1016/S0031-9422(01)00320-X]
NPO19774 Rubus idaeus Species n.a. n.a. Fruit n.a. n.a. DOI[10.1016/S0963-9969(99)00095-2]
NPO4934 Phaseolus vulgaris Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1021/jf980687v]
NPO7732 Solanum melongena Species Solanaceae Eukaryota n.a. root n.a. DOI[10.1271/bbb1961.42.623]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. DOI[10.3923/pjbs.2013.1138.1144]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. 1996-Sep PMID[10352947]
NPO523 Tussilago farfara Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[10543912]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. root n.a. PMID[11374978]
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota n.a. leaf n.a. PMID[11738417]
NPO7530 Cucumis sativus Species Cucurbitaceae Eukaryota n.a. n.a. n.a. PMID[12379786]
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota n.a. n.a. n.a. PMID[12882150]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota n.a. fruit n.a. PMID[12932131]
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota n.a. n.a. n.a. PMID[15666542]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[15679317]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[15877880]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota roots purchased from Kiu Shun Trading Ltd., Vancouver, Canada 2000 PMID[16643021]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota n.a. n.a. n.a. PMID[16748484]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. leaf n.a. PMID[17262437]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Cornell Univeristy, Ithaca PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Petone, New Zealand PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Randolph, WI PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Shenandoah, IA PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Winslow, ME PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Cornell University, Geneva, NY PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Onehunga, New Zealand, PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds Warminster, PA PMID[17439238]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seeds n.a. PMID[17439238]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. root n.a. PMID[17997069]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota n.a. n.a. n.a. PMID[18270436]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. PMID[18326559]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. leaf n.a. PMID[18409045]
NPO27241 Prunus tomentosa Species Rosaceae Eukaryota n.a. seed n.a. PMID[18449498]
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota n.a. n.a. n.a. PMID[18460139]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[18460139]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. PMID[18460139]
NPO7530 Cucumis sativus Species Cucurbitaceae 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]
NPO29141 Panax ginseng Species Araliaceae Eukaryota flower buds n.a. n.a. PMID[19926279]
NPO21027 Daphnia magna Species Daphniidae Eukaryota n.a. n.a. n.a. PMID[20117838]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota n.a. n.a. n.a. PMID[20460582]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota n.a. n.a. n.a. PMID[20597533]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. root n.a. PMID[2092947]
NPO29141 Panax ginseng Species Araliaceae Eukaryota berry n.a. n.a. PMID[21216145]
NPO659 Secale cereale Species Poaceae Eukaryota n.a. n.a. n.a. PMID[21381697]
NPO19774 Rubus idaeus Species n.a. n.a. n.a. n.a. n.a. PMID[21381697]
NPO11120 Brassica rapa Species Brassicaceae Eukaryota n.a. n.a. n.a. PMID[21448706]
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota n.a. fruit n.a. PMID[21462031]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. exocarp n.a. PMID[21800857]
NPO163 Daucus carota 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. root n.a. PMID[21800857]
NPO11120 Brassica rapa Species Brassicaceae Eukaryota n.a. n.a. n.a. PMID[21856162]
NPO11120 Brassica rapa Species Brassicaceae Eukaryota n.a. n.a. n.a. PMID[23001436]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota Essential oil n.a. n.a. PMID[23163425]
NPO7530 Cucumis sativus Species Cucurbitaceae Eukaryota n.a. n.a. n.a. PMID[23507362]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota n.a. n.a. n.a. PMID[23656415]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota n.a. n.a. n.a. PMID[23793896]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. PMID[23865201]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota n.a. n.a. n.a. PMID[24014097]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota n.a. n.a. n.a. PMID[24128451]
NPO29141 Panax ginseng Species Araliaceae Eukaryota leaves n.a. n.a. PMID[24290061]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. bulb n.a. PMID[24508058]
NPO27241 Prunus tomentosa Species Rosaceae Eukaryota leaves n.a. n.a. PMID[24767839]
NPO11120 Brassica rapa Species Brassicaceae Eukaryota n.a. n.a. n.a. PMID[24868877]
NPO11120 Brassica rapa Species Brassicaceae Eukaryota n.a. aerial part n.a. PMID[24919480]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota n.a. seed n.a. PMID[24967651]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. PMID[24968750]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. PMID[25152999]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota n.a. fruit n.a. PMID[25172746]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[25538068]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. PMID[25650289]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota n.a. n.a. n.a. PMID[25650289]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota n.a. n.a. n.a. PMID[25700090]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota garlic skin n.a. n.a. PMID[25726329]
NPO29141 Panax ginseng Species Araliaceae Eukaryota stems-leaves n.a. n.a. PMID[26420067]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[27400088]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. stem n.a. PMID[27914541]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[2831703]
NPO29141 Panax ginseng Species Araliaceae Eukaryota Flower Buds n.a. n.a. PMID[28345906]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Fruits Wolkowo, Poland 2016-Oct PMID[31487816]
NPO7732 Solanum melongena Species Solanaceae Eukaryota Roots n.a. n.a. PMID[31742403]
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota Roots n.a. n.a. PMID[32004936]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. PMID[32129622]
NPO523 Tussilago farfara Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[32881525]
NPO25583 Beta vulgaris Species Chenopodiaceae Eukaryota n.a. n.a. n.a. PMID[33118348]
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota n.a. trunk bark n.a. PMID[556731]
NPO16509 Avena sativa Species Poaceae Eukaryota n.a. n.a. n.a. PMID[6705789]
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota n.a. n.a. n.a. PMID[6821187]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[6821187]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. PMID[8350088]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota n.a. n.a. n.a. PMID[8910532]
NPO659 Secale cereale Species Poaceae Eukaryota n.a. n.a. n.a. PMID[9134744]
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota n.a. leaf n.a. PMID[9433811]
NPO21027 Daphnia magna Species Daphniidae Eukaryota n.a. n.a. n.a. Database[Article]
NPO784 Sinapis alba Species Brassicaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO25583 Beta vulgaris Species Chenopodiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota Sprout Seedling n.a. n.a. Database[FooDB]
NPO3938 Cucurbita pepo Species Cucurbitaceae Eukaryota n.a. n.a. Database[FooDB]
NPO4934 Phaseolus vulgaris Species Fabaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO3938 Cucurbita pepo Species Cucurbitaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota Resin, Exudate, Sap n.a. n.a. Database[FooDB]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota Bulb n.a. n.a. Database[FooDB]
NPO26622 Taraxacum officinale Species Asteraceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO4934 Phaseolus vulgaris Species Fabaceae Eukaryota Sprout Seedling n.a. n.a. Database[FooDB]
NPO4934 Phaseolus vulgaris Species Fabaceae Eukaryota n.a. n.a. Database[FooDB]
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota Tubers n.a. Database[FooDB]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota Fruit Juice n.a. n.a. Database[FooDB]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO16509 Avena sativa Species Poaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota Bulb n.a. n.a. Database[FooDB]
NPO4934 Phaseolus vulgaris Species Fabaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota n.a. n.a. Database[FooDB]
NPO4934 Phaseolus vulgaris Species Fabaceae Eukaryota n.a. n.a. Database[FooDB]
NPO16509 Avena sativa Species Poaceae Eukaryota Hay n.a. n.a. Database[FooDB]
NPO7530 Cucumis sativus Species Cucurbitaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO7530 Cucumis sativus Species Cucurbitaceae Eukaryota Cotyledon n.a. n.a. Database[FooDB]
NPO25583 Beta vulgaris Species Chenopodiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. n.a. Database[FooDB]
NPO659 Secale cereale Species Poaceae Eukaryota n.a. n.a. Database[FooDB]
NPO16509 Avena sativa Species Poaceae Eukaryota Hull Husk n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota Flower n.a. n.a. Database[FooDB]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota Tissue Culture n.a. n.a. Database[FooDB]
NPO659 Secale cereale Species Poaceae Eukaryota n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Tissue Culture n.a. n.a. Database[FooDB]
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. n.a. Database[FooDB]
NPO2776 Lactuca sativa Species Asteraceae Eukaryota Latex Exudate n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota Flower n.a. n.a. Database[FooDB]
NPO11120 Brassica rapa Species Brassicaceae Eukaryota Oil n.a. n.a. Database[FooDB]
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota Tuber n.a. n.a. Database[FooDB]
NPO16509 Avena sativa Species Poaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7530 Cucumis sativus Species Cucurbitaceae Eukaryota n.a. n.a. Database[FooDB]
NPO16509 Avena sativa Species Poaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO19774 Rubus idaeus Species n.a. n.a. Seed n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota Pericarp n.a. n.a. Database[FooDB]
NPO19774 Rubus idaeus Species n.a. n.a. n.a. n.a. Database[FooDB]
NPO11120 Brassica rapa Species Brassicaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7732 Solanum melongena Species Solanaceae Eukaryota n.a. n.a. Database[FooDB]
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO26622 Taraxacum officinale Species Asteraceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota Pericarp n.a. n.a. Database[FooDB]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7530 Cucumis sativus Species Cucurbitaceae Eukaryota n.a. n.a. Database[FooDB]
NPO784 Sinapis alba Species Brassicaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO4934 Phaseolus vulgaris Species Fabaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO25583 Beta vulgaris Species Chenopodiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO16509 Avena sativa Species Poaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO18665 Amelanchier alnifolia Species Rosaceae Eukaryota n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO7530 Cucumis sativus Species Cucurbitaceae Eukaryota Seed Oil n.a. n.a. Database[FooDB]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Roots n.a. Database[FooDB]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO27241 Prunus tomentosa Species Rosaceae Eukaryota n.a. n.a. Database[FooDB]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota n.a. n.a. Database[FooDB]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO16509 Avena sativa Species Poaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Root Essent. Oil n.a. n.a. Database[FooDB]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota Leaves n.a. Database[FooDB]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota n.a. n.a. Database[FooDB]
NPO2776 Lactuca sativa Species Asteraceae Eukaryota n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO16509 Avena sativa Species Poaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO7530 Cucumis sativus Species Cucurbitaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Roots n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO784 Sinapis alba Species Brassicaceae Eukaryota n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO2776 Lactuca sativa Species Asteraceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO2776 Lactuca sativa Species Asteraceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO16509 Avena sativa Species Poaceae Eukaryota n.a. n.a. Database[FooDB]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO7732 Solanum melongena Species Solanaceae Eukaryota n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO19774 Rubus idaeus Species n.a. n.a. Fruit n.a. n.a. Database[FooDB]
NPO19774 Rubus idaeus Species n.a. n.a. Fruits n.a. Database[FooDB]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO26622 Taraxacum officinale Species Asteraceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO19774 Rubus idaeus Species n.a. n.a. Leaf n.a. n.a. Database[FooDB]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7732 Solanum melongena Species Solanaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO26622 Taraxacum officinale Species Asteraceae Eukaryota n.a. n.a. Database[FooDB]
NPO659 Secale cereale Species Poaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO26622 Taraxacum officinale Species Asteraceae Eukaryota n.a. n.a. Database[FooDB]
NPO7732 Solanum melongena Species Solanaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota Sprout Seedling n.a. n.a. Database[FooDB]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota n.a. n.a. Database[FooDB]
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO2776 Lactuca sativa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7530 Cucumis sativus Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19774 Rubus idaeus Species n.a. n.a. n.a. n.a. n.a. Database[HerDing]
NPO523 Tussilago farfara Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO4934 Phaseolus vulgaris Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25583 Beta vulgaris Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO3938 Cucurbita pepo Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26622 Taraxacum officinale Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO27241 Prunus tomentosa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11120 Brassica rapa Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO784 Sinapis alba Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7732 Solanum melongena Species Solanaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16509 Avena sativa Species Poaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26785 Taraxacum mongolicum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. Database[MetaboLights]
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO659 Secale cereale Species Poaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO7732 Solanum melongena Species Solanaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO19774 Rubus idaeus Species n.a. n.a. Fruits n.a. Database[Phenol-Explorer]
NPO19774 Rubus idaeus Species n.a. n.a. n.a. n.a. Database[Phenol-Explorer]
NPO26622 Taraxacum officinale Species Asteraceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19774 Rubus idaeus Species 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]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO523 Tussilago farfara Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO27241 Prunus tomentosa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21845 Calvatia fenzlii Species Lycoperdaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26622 Taraxacum officinale Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2776 Lactuca sativa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7530 Cucumis sativus Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11120 Brassica rapa Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26785 Taraxacum mongolicum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3938 Cucurbita pepo Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4934 Phaseolus vulgaris Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16509 Avena sativa Species Poaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7732 Solanum melongena Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO784 Sinapis alba Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25583 Beta vulgaris Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO784 Sinapis alba Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO7530 Cucumis sativus Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO4934 Phaseolus vulgaris Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO16509 Avena sativa Species Poaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO2776 Lactuca sativa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO26622 Taraxacum officinale Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO26785 Taraxacum mongolicum Species Asteraceae 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]
NPO3938 Cucurbita pepo Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO25583 Beta vulgaris Species Chenopodiaceae 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]
NPO7576 Brassica oleracea Species Brassicaceae 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]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO523 Tussilago farfara Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO26293 Ginkgo biloba Species Ginkgoaceae 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]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO16501 Capsicum annuum Species Solanaceae 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]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO7732 Solanum melongena Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO14964 Calvatia gigantea Species Lycoperdaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO21845 Calvatia fenzlii Species Lycoperdaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO26785 Taraxacum mongolicum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO13668 Taraxacum platycarpum Species Asteraceae 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]
NPO17030 Calvatia lilacina Species Lycoperdaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO23230 Allium cepa Species Amaryllidaceae 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]
NPO1596 Taraxacum borealisinense Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO29141 Panax ginseng Species Araliaceae 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]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO23327 Taraxacum coreanum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO523 Tussilago farfara Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO784 Sinapis alba Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO26622 Taraxacum officinale Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO17030 Calvatia lilacina Species Lycoperdaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18665 Amelanchier alnifolia Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2776 Lactuca sativa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14582 Spinacia oleracea Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19774 Rubus idaeus Species n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23230 Allium cepa Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23327 Taraxacum coreanum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27241 Prunus tomentosa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11120 Brassica rapa Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7732 Solanum melongena Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22132 Hordeum vulgare Species Poaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21845 Calvatia fenzlii Species Lycoperdaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16501 Capsicum annuum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO523 Tussilago farfara Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7530 Cucumis sativus Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4934 Phaseolus vulgaris Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4359 Solanum tuberosum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26622 Taraxacum officinale Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21027 Daphnia magna Species Daphniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3938 Cucurbita pepo Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO441 Cucurbita maxima Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26785 Taraxacum mongolicum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16509 Avena sativa Species Poaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13668 Taraxacum platycarpum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO659 Secale cereale Species Poaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25583 Beta vulgaris Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO784 Sinapis alba Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29141 Panax ginseng Species Araliaceae 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
NPO22132 NPC245346 Other n.a. 895.1680899 n.a. n.a. mg/100g Database [FooDB]
NPO7576 NPC245346 Other n.a. 158.18 n.a. n.a. mg/100g Database [FooDB]
NPO163 NPC245346 Other n.a. 21.32 n.a. n.a. mg/100g Database [FooDB]
NPO7530 NPC245346 Other n.a. 4 n.a. n.a. mg/100g Database [FooDB]
NPO27241 NPC245346 Other n.a. 224 n.a. n.a. mg/100g Database [FooDB]
NPO7732 NPC245346 Other n.a. 47.81 n.a. n.a. mg/100g Database [FooDB]
NPO16501 NPC245346 Other n.a. 4.5 n.a. n.a. mg/100g Database [FooDB]
NPO3938 NPC245346 Other n.a. 13.13 n.a. n.a. mg/100g Database [FooDB]
NPO2776 NPC245346 Other n.a. 16.4 n.a. n.a. mg/100g Database [FooDB]
NPO16509 NPC245346 Other n.a. 1603.810957 n.a. n.a. mg/100g Database [FooDB]
NPO23230 NPC245346 Other n.a. 7.1 n.a. n.a. mg/100g Database [FooDB]
NPO16501 NPC245346 Other n.a. 22.95 n.a. n.a. mg/100g Database [FooDB]
NPO13642 NPC245346 Other n.a. 21.59903662 n.a. n.a. mg/100g Database [FooDB]
NPO4359 NPC245346 Other n.a. 50.36 n.a. n.a. mg/100g Database [FooDB]
NPO16501 NPC245346 Other n.a. 40.55807719 n.a. n.a. mg/100g Database [FooDB]
NPO25583 NPC245346 Other n.a. 15.6 n.a. n.a. mg/100g Database [FooDB]
NPO659 NPC245346 Other n.a. 1314.6 n.a. n.a. mg/100g Database [FooDB]
NPO14582 NPC245346 Other n.a. 13.9 n.a. n.a. mg/100g Database [FooDB]
NPO18665 NPC245346 Other n.a. 96.9 n.a. n.a. mg/100g Database [FooDB]
NPO3938 NPC245346 Other n.a. 41.6 n.a. n.a. mg/100g Database [FooDB]
NPO25583 NPC245346 Other n.a. 96.71717667 n.a. n.a. mg/100g Database [FooDB]
NPO19774 NPC245346 Other n.a. 75.80867692 n.a. n.a. mg/100g Database [FooDB]
NPO7576 NPC245346 Other n.a. 49.12 n.a. n.a. mg/100g Database [FooDB]
NPO3938 NPC245346 Other n.a. 44.19 n.a. n.a. mg/100g Database [FooDB]
NPO441 NPC245346 Other n.a. 10.5 n.a. n.a. mg/100g Database [FooDB]
NPO4934 NPC245346 Other n.a. 43.84 n.a. n.a. mg/100g Database [FooDB]
NPO4934 NPC245346 Other n.a. 35 n.a. n.a. mg/100g Database [FooDB]
NPO16501 NPC245346 Other n.a. 17.6 n.a. n.a. mg/100g Database [FooDB]
NPO16509 NPC245346 n.a. n.a. 1603.81 n.a. n.a. mg/100g Database [FooDB]
NPO22132 NPC245346 n.a. n.a. 895.17 n.a. n.a. mg/100g Database [FooDB]
NPO659 NPC245346 n.a. n.a. 547.05 n.a. n.a. mg/100g Database [FooDB]
NPO25583 NPC245346 n.a. n.a. 96.72 n.a. n.a. mg/100g Database [FooDB]
NPO13642 NPC245346 n.a. n.a. 91.6 n.a. n.a. mg/100g Database [FooDB]
NPO16501 NPC245346 n.a. n.a. 40.56 n.a. n.a. mg/100g Database [FooDB]
NPO3938 NPC245346 n.a. n.a. 39.93 n.a. n.a. mg/100g Database [FooDB]
NPO23230 NPC245346 n.a. n.a. 7.07 n.a. n.a. mg/100g Database [FooDB]
NPO22132 NPC245346 Other n.a. 1200 n.a. n.a. mg/100g Database [FooDB]
NPO163 NPC245346 Other n.a. 24 n.a. n.a. mg/100g Database [FooDB]
NPO7530 NPC245346 Other n.a. 13 n.a. n.a. mg/100g Database [FooDB]
NPO27241 NPC245346 Other n.a. 40 n.a. n.a. mg/100g Database [FooDB]
NPO7732 NPC245346 Other n.a. 41 n.a. n.a. mg/100g Database [FooDB]
NPO16501 NPC245346 Other n.a. 23 n.a. n.a. mg/100g Database [FooDB]
NPO3938 NPC245346 Other n.a. 37 n.a. n.a. mg/100g Database [FooDB]
NPO2776 NPC245346 Other n.a. 45 n.a. n.a. mg/100g Database [FooDB]
NPO16509 NPC245346 Other n.a. 750 n.a. n.a. mg/100g Database [FooDB]
NPO23230 NPC245346 Other n.a. 21 n.a. n.a. mg/100g Database [FooDB]
NPO16501 NPC245346 Other n.a. 33 n.a. n.a. mg/100g Database [FooDB]
NPO13642 NPC245346 Other n.a. 120 n.a. n.a. mg/100g Database [FooDB]
NPO4359 NPC245346 Other n.a. 68 n.a. n.a. mg/100g Database [FooDB]
NPO25583 NPC245346 Other n.a. 19 n.a. n.a. mg/100g Database [FooDB]
NPO659 NPC245346 Other n.a. 810 n.a. n.a. mg/100g Database [FooDB]
NPO14582 NPC245346 Other n.a. 84 n.a. n.a. mg/100g Database [FooDB]
NPO18665 NPC245346 Other n.a. 15 n.a. n.a. mg/100g Database [FooDB]
NPO3938 NPC245346 Other n.a. 42 n.a. n.a. mg/100g Database [FooDB]
NPO7576 NPC245346 Other n.a. 57 n.a. n.a. mg/100g Database [FooDB]
NPO441 NPC245346 Other n.a. 12 n.a. n.a. mg/100g Database [FooDB]
NPO4934 NPC245346 Other n.a. 58 n.a. n.a. mg/100g Database [FooDB]
NPO11120 NPC245346 Other n.a. 21 n.a. n.a. mg/100g Database [FooDB]
NPO4934 NPC245346 Other n.a. 60 n.a. n.a. mg/100g Database [FooDB]

☑ 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
NPT3581 Individual Protein Dihydrodipicolinate synthase Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145) Inhibition = 0.0 % PMID[508942]
NPT1163 Individual Protein Glutamate (NMDA) receptor subunit zeta 1 Rattus norvegicus IC50 = 17200.0 nM PMID[508943]
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 56234.1 nM PMID[508944]
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency n.a. 42284.1 nM PMID[508944]
NPT368 Cell Line SN12C Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT367 Cell Line MDA-N Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT370 Cell Line NCI-H23 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT371 Cell Line UO-31 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT369 Cell Line ACHN Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT116 Cell Line HL-60 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT372 Cell Line HOP-92 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT374 Cell Line SF-539 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT90 Cell Line DU-145 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT375 Cell Line Malme-3M Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT376 Cell Line A498 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT111 Cell Line K562 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT112 Cell Line MOLT-4 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT379 Cell Line HOP-62 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT380 Cell Line U-251 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT383 Cell Line SNB-19 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT385 Cell Line SR Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT384 Cell Line TK-10 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT323 Cell Line SW-620 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT455 Cell Line NCI-H522 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT386 Cell Line KM12 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT387 Cell Line M14 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT388 Cell Line NCI-H322M Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT390 Cell Line LOX IMVI Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT457 Cell Line BT-549 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT81 Cell Line A549 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT391 Cell Line HCC 2998 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT392 Cell Line SNB-75 Homo sapiens GI50 n.a. 57411.65 nM PMID[508945]
NPT148 Cell Line HCT-15 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT393 Cell Line HCT-116 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT395 Cell Line SF-268 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT83 Cell Line MCF7 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT394 Cell Line EKVX Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT306 Cell Line PC-3 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT397 Cell Line NCI-H460 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT396 Cell Line T47D Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT398 Cell Line UACC-62 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT458 Cell Line IGROV-1 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT399 Cell Line SF-295 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT402 Cell Line Hs-578T Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT403 Cell Line UACC-257 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT401 Cell Line 786-0 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT405 Cell Line NCI-H226 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT139 Cell Line HT-29 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT407 Cell Line COLO 205 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT406 Cell Line RXF 393 Homo sapiens GI50 n.a. 100000.0 nM PMID[508945]
NPT533 Protein-Protein Interaction Runt-related transcription factor 1/Core-binding factor subunit beta Homo sapiens Potency n.a. 14125.4 nM PMID[508944]
NPT20555 ORGANISM SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 IC50 > 20000.0 nM PMID[508946]
NPT20555 ORGANISM SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 IC50 > 19952.62 nM PMID[508946]
NPT2 Others Unspecified Potency n.a. 134.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 6007 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 NPC245346 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 NPC302003
1.0 High Similarity NPC11433
0.8689 High Similarity NPC135539
0.8689 High Similarity NPC196359
0.8689 High Similarity NPC78312
0.8689 High Similarity NPC221764
0.8413 Intermediate Similarity NPC15864
0.8226 Intermediate Similarity NPC287693
0.8136 Intermediate Similarity NPC64250
0.8136 Intermediate Similarity NPC268927
0.8136 Intermediate Similarity NPC276928
0.8125 Intermediate Similarity NPC322274
0.8036 Intermediate Similarity NPC274499
0.8036 Intermediate Similarity NPC333075
0.8036 Intermediate Similarity NPC8488
0.7963 Intermediate Similarity NPC93081
0.7963 Intermediate Similarity NPC140872
0.791 Intermediate Similarity NPC320221
0.7581 Intermediate Similarity NPC118429
0.7536 Intermediate Similarity NPC327272
0.75 Intermediate Similarity NPC160661
0.7407 Intermediate Similarity NPC327698
0.7407 Intermediate Similarity NPC118459
0.7358 Intermediate Similarity NPC276294
0.7344 Intermediate Similarity NPC226453
0.7344 Intermediate Similarity NPC103130
0.7288 Intermediate Similarity NPC183845
0.7288 Intermediate Similarity NPC279661
0.7241 Intermediate Similarity NPC200550
0.7241 Intermediate Similarity NPC155156
0.7222 Intermediate Similarity NPC198301
0.7213 Intermediate Similarity NPC278209
0.7193 Intermediate Similarity NPC112890
0.7193 Intermediate Similarity NPC316231
0.7193 Intermediate Similarity NPC324825
0.7164 Intermediate Similarity NPC107224
0.7121 Intermediate Similarity NPC327985
0.7 Intermediate Similarity NPC272396
0.6897 Remote Similarity NPC62045
0.6897 Remote Similarity NPC43204
0.6897 Remote Similarity NPC84636
0.6897 Remote Similarity NPC226027
0.6897 Remote Similarity NPC162620
0.6897 Remote Similarity NPC174246
0.6897 Remote Similarity NPC245027
0.6875 Remote Similarity NPC177191
0.6866 Remote Similarity NPC325534
0.6842 Remote Similarity NPC101249
0.6812 Remote Similarity NPC133183
0.678 Remote Similarity NPC137958
0.678 Remote Similarity NPC273330
0.6761 Remote Similarity NPC185084
0.6716 Remote Similarity NPC278881
0.6709 Remote Similarity NPC69374
0.6709 Remote Similarity NPC90476
0.6667 Remote Similarity NPC10262
0.6667 Remote Similarity NPC311668
0.6667 Remote Similarity NPC121517
0.6667 Remote Similarity NPC168375
0.6667 Remote Similarity NPC65832
0.6667 Remote Similarity NPC326992
0.662 Remote Similarity NPC328457
0.6607 Remote Similarity NPC323974
0.6562 Remote Similarity NPC176164
0.6562 Remote Similarity NPC189301
0.6557 Remote Similarity NPC197087
0.6557 Remote Similarity NPC190184
0.6508 Remote Similarity NPC38463
0.6508 Remote Similarity NPC325985
0.6491 Remote Similarity NPC329263
0.6462 Remote Similarity NPC254541
0.6462 Remote Similarity NPC320598
0.6429 Remote Similarity NPC291186
0.6429 Remote Similarity NPC167986
0.6349 Remote Similarity NPC2801
0.6316 Remote Similarity NPC126925
0.6316 Remote Similarity NPC325097
0.6316 Remote Similarity NPC132307
0.6269 Remote Similarity NPC474014
0.6269 Remote Similarity NPC30126
0.6269 Remote Similarity NPC314510
0.6269 Remote Similarity NPC62507
0.6269 Remote Similarity NPC8087
0.6269 Remote Similarity NPC57846
0.6269 Remote Similarity NPC322206
0.6232 Remote Similarity NPC472609
0.6212 Remote Similarity NPC317143
0.6212 Remote Similarity NPC321536
0.6212 Remote Similarity NPC316826
0.6212 Remote Similarity NPC321468
0.6212 Remote Similarity NPC327748
0.6197 Remote Similarity NPC81647
0.6154 Remote Similarity NPC318260
0.6154 Remote Similarity NPC317147
0.6154 Remote Similarity NPC283786
0.6129 Remote Similarity NPC155512
0.6119 Remote Similarity NPC327170
0.6119 Remote Similarity NPC329564
0.6119 Remote Similarity NPC143722
0.6119 Remote Similarity NPC68974
0.6111 Remote Similarity NPC216443
0.6102 Remote Similarity NPC49952
0.6102 Remote Similarity NPC136476
0.6094 Remote Similarity NPC322573
0.6087 Remote Similarity NPC57420
0.6087 Remote Similarity NPC315744
0.6076 Remote Similarity NPC219340
0.6071 Remote Similarity NPC53449
0.6071 Remote Similarity NPC66043
0.6061 Remote Similarity NPC190385
0.6056 Remote Similarity NPC222327
0.6056 Remote Similarity NPC188231
0.6023 Remote Similarity NPC40663
0.6 Remote Similarity NPC474928
0.6 Remote Similarity NPC18188
0.6 Remote Similarity NPC136159
0.5974 Remote Similarity NPC59867
0.5968 Remote Similarity NPC50457
0.5932 Remote Similarity NPC208793
0.5932 Remote Similarity NPC285322
0.5926 Remote Similarity NPC272614
0.5926 Remote Similarity NPC21290
0.5926 Remote Similarity NPC116709
0.5915 Remote Similarity NPC101746
0.5915 Remote Similarity NPC473952
0.5915 Remote Similarity NPC77191
0.5915 Remote Similarity NPC69798
0.5915 Remote Similarity NPC116377
0.5904 Remote Similarity NPC469363
0.5902 Remote Similarity NPC153370
0.5873 Remote Similarity NPC19576
0.5873 Remote Similarity NPC322946
0.5873 Remote Similarity NPC29950
0.5873 Remote Similarity NPC202525
0.5857 Remote Similarity NPC289691
0.5846 Remote Similarity NPC10915
0.5833 Remote Similarity NPC297220
0.5833 Remote Similarity NPC309658
0.5818 Remote Similarity NPC63621
0.5806 Remote Similarity NPC152451
0.5806 Remote Similarity NPC328378
0.5806 Remote Similarity NPC170739
0.5806 Remote Similarity NPC93888
0.5806 Remote Similarity NPC270805
0.5806 Remote Similarity NPC193989
0.5789 Remote Similarity NPC326212
0.5789 Remote Similarity NPC237525
0.5781 Remote Similarity NPC263065
0.5781 Remote Similarity NPC245768
0.5781 Remote Similarity NPC189178
0.5775 Remote Similarity NPC325597
0.5775 Remote Similarity NPC174304
0.5741 Remote Similarity NPC134570
0.5733 Remote Similarity NPC306973
0.5714 Remote Similarity NPC243964
0.5714 Remote Similarity NPC125736
0.5714 Remote Similarity NPC315977
0.5694 Remote Similarity NPC128005
0.5694 Remote Similarity NPC84182
0.5692 Remote Similarity NPC321118
0.5692 Remote Similarity NPC316889
0.5679 Remote Similarity NPC475542
0.5667 Remote Similarity NPC117829
0.5658 Remote Similarity NPC29326
0.5658 Remote Similarity NPC315897
0.5634 Remote Similarity NPC106216
0.5634 Remote Similarity NPC88898
0.5616 Remote Similarity NPC60424
0.5616 Remote Similarity NPC314221
0.5616 Remote Similarity NPC118524
0.5606 Remote Similarity NPC327831
0.5606 Remote Similarity NPC275727
0.56 Remote Similarity NPC475694
0.56 Remote Similarity NPC473710

  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 NPC245346 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 NPD8865 Approved
0.8689 High Similarity NPD8868 Approved
0.7963 Intermediate Similarity NPD8808 Approved
0.7963 Intermediate Similarity NPD8809 Approved
0.7581 Intermediate Similarity NPD9014 Approved
0.7361 Intermediate Similarity NPD617 Approved
0.7344 Intermediate Similarity NPD9047 Approved
0.7344 Intermediate Similarity NPD9048 Approved
0.7344 Intermediate Similarity NPD9046 Phase 3
0.7344 Intermediate Similarity NPD9045 Approved
0.7193 Intermediate Similarity NPD9016 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD9044 Approved
0.7015 Intermediate Similarity NPD9232 Phase 2
0.7015 Intermediate Similarity NPD9233 Phase 3
0.7015 Intermediate Similarity NPD9231 Phase 3
0.6957 Remote Similarity NPD2220 Clinical (unspecified phase)
0.6957 Remote Similarity NPD9649 Approved
0.6897 Remote Similarity NPD9018 Approved
0.6897 Remote Similarity NPD9017 Approved
0.6866 Remote Similarity NPD8952 Approved
0.6842 Remote Similarity NPD8866 Approved
0.6842 Remote Similarity NPD8867 Approved
0.678 Remote Similarity NPD8871 Approved
0.678 Remote Similarity NPD8872 Phase 3
0.6774 Remote Similarity NPD8979 Approved
0.6774 Remote Similarity NPD8981 Clinical (unspecified phase)
0.6774 Remote Similarity NPD8980 Approved
0.6667 Remote Similarity NPD9451 Clinical (unspecified phase)
0.6667 Remote Similarity NPD9217 Clinical (unspecified phase)
0.6607 Remote Similarity NPD9019 Approved
0.6562 Remote Similarity NPD8848 Approved
0.6557 Remote Similarity NPD8851 Phase 1
0.6557 Remote Similarity NPD8785 Approved
0.6438 Remote Similarity NPD366 Approved
0.6429 Remote Similarity NPD8805 Approved
0.6429 Remote Similarity NPD8804 Approved
0.6316 Remote Similarity NPD8798 Approved
0.631 Remote Similarity NPD2682 Approved
0.6308 Remote Similarity NPD9433 Approved
0.6203 Remote Similarity NPD1125 Discovery
0.6118 Remote Similarity NPD4261 Phase 1
0.6061 Remote Similarity NPD9023 Clinical (unspecified phase)
0.6 Remote Similarity NPD8623 Phase 1
0.6 Remote Similarity NPD8973 Approved
0.6 Remote Similarity NPD8972 Approved
0.6 Remote Similarity NPD8850 Approved
0.5932 Remote Similarity NPD8610 Approved
0.5926 Remote Similarity NPD8211 Approved
0.5926 Remote Similarity NPD8210 Phase 3
0.5909 Remote Similarity NPD9425 Approved
0.5904 Remote Similarity NPD7759 Phase 2
0.5904 Remote Similarity NPD7760 Phase 2
0.5902 Remote Similarity NPD8614 Approved
0.5889 Remote Similarity NPD3715 Approved
0.5889 Remote Similarity NPD3713 Approved
0.5889 Remote Similarity NPD3714 Approved
0.5873 Remote Similarity NPD8846 Approved
0.5873 Remote Similarity NPD61 Approved
0.5873 Remote Similarity NPD9441 Phase 2
0.5873 Remote Similarity NPD8847 Approved
0.5846 Remote Similarity NPD8971 Approved
0.5833 Remote Similarity NPD8801 Approved
0.5806 Remote Similarity NPD8624 Approved
0.5806 Remote Similarity NPD8803 Clinical (unspecified phase)
0.5806 Remote Similarity NPD8946 Approved
0.5806 Remote Similarity NPD9021 Approved
0.5806 Remote Similarity NPD8947 Approved
0.5806 Remote Similarity NPD8802 Approved
0.5781 Remote Similarity NPD9204 Approved
0.5781 Remote Similarity NPD9205 Approved
0.5775 Remote Similarity NPD348 Approved
0.5765 Remote Similarity NPD3177 Phase 3
0.5758 Remote Similarity NPD8864 Clinical (unspecified phase)
0.5694 Remote Similarity NPD9442 Clinical (unspecified phase)
0.5676 Remote Similarity NPD620 Approved
0.5663 Remote Similarity NPD9577 Approved
0.5658 Remote Similarity NPD1825 Clinical (unspecified phase)
0.5641 Remote Similarity NPD9224 Clinical (unspecified phase)
0.5616 Remote Similarity NPD9421 Phase 1
0.5616 Remote Similarity NPD886 Clinical (unspecified phase)
0.5616 Remote Similarity NPD1429 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