Structure

Physi-Chem Properties

Molecular Weight:  156.15
Volume:  187.67
LogP:  3.481
LogD:  2.993
LogS:  -3.002
# Rotatable Bonds:  5
TPSA:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  1

MedChem Properties

QED Drug-Likeness Score:  0.607
Synthetic Accessibility Score:  2.899
Fsp3:  0.8
Lipinski Rule-of-5:  Accepted
Pfizer Rule:  Rejected
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:  -4.252
MDCK Permeability:  1.9847928342642263e-05
Pgp-inhibitor:  0.006
Pgp-substrate:  0.006
Human Intestinal Absorption (HIA):  0.005
20% Bioavailability (F20%):  0.55
30% Bioavailability (F30%):  0.101

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):  0.948
Plasma Protein Binding (PPB):  93.47838592529297%
Volume Distribution (VD):  2.272
Pgp-substrate:  6.4147844314575195%

ADMET: Metabolism

CYP1A2-inhibitor:  0.65
CYP1A2-substrate:  0.427
CYP2C19-inhibitor:  0.092
CYP2C19-substrate:  0.604
CYP2C9-inhibitor:  0.052
CYP2C9-substrate:  0.765
CYP2D6-inhibitor:  0.007
CYP2D6-substrate:  0.115
CYP3A4-inhibitor:  0.018
CYP3A4-substrate:  0.162

ADMET: Excretion

Clearance (CL):  12.891
Half-life (T1/2):  0.593

ADMET: Toxicity

hERG Blockers:  0.018
Human Hepatotoxicity (H-HT):  0.573
Drug-inuced Liver Injury (DILI):  0.028
AMES Toxicity:  0.004
Rat Oral Acute Toxicity:  0.01
Maximum Recommended Daily Dose:  0.021
Skin Sensitization:  0.857
Carcinogencity:  0.224
Eye Corrosion:  0.915
Eye Irritation:  0.985
Respiratory Toxicity:  0.045

Download Data

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

  Natural Product: NPC24824

Natural Product ID:  NPC24824
Common Name*:   Citronellol
IUPAC Name:   3,7-dimethyloct-6-en-1-ol
Synonyms:   Citronellol; DL-citronellol
Standard InCHIKey:  QMVPMAAFGQKVCJ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
SMILES:  OCCC(CCC=C(C)C)C
Synthetic Gene Cluster:   n.a.
ChEMBL Identifier:   CHEMBL395827
PubChem CID:   8842
Chemical Classification**:  
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000012] Lipids and lipid-like molecules
      • [CHEMONTID:0000259] Prenol lipids
        • [CHEMONTID:0001549] Monoterpenoids
          • [CHEMONTID:0001127] Acyclic monoterpenoids

*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
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota Flowers n.a. n.a. DOI[10.1002/elan.200403102]
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota Flowers n.a. n.a. DOI[10.1016/j.foodchem.2012.02.124]
NPO1524 Rosa rugosa Species Rosaceae Eukaryota Flowers n.a. n.a. DOI[10.1016/j.foodcont.2014.02.001]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.jep.2005.01.054]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota Fruit n.a. n.a. DOI[10.1016/S0963-9969(99)00095-2]
NPO15810 Zea mays Species Poaceae Eukaryota n.a. n.a. DOI[10.1021/jf00055a023]
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota n.a. rhizome n.a. DOI[10.1021/np100392m]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. fruit n.a. PMID[10606547]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. fruit n.a. PMID[10606547]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[10606602]
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota Flowers n.a. n.a. PMID[11077184]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. root n.a. PMID[11374978]
NPO15810 Zea mays Species Poaceae Eukaryota n.a. seed n.a. PMID[11539687]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[12350137]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota rhizome n.a. n.a. PMID[12617587]
NPO15810 Zea mays Species Poaceae Eukaryota n.a. n.a. n.a. PMID[12713418]
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota n.a. leaf n.a. PMID[15388977]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[15679317]
NPO11169 Piper cubeba Species Piperaceae Eukaryota n.a. n.a. n.a. PMID[15679319]
NPO17691 Santalum album Species Santalaceae Eukaryota n.a. n.a. n.a. PMID[15974602]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota n.a. fruit n.a. PMID[16417304]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. n.a. n.a. PMID[16562834]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota roots purchased from Kiu Shun Trading Ltd., Vancouver, Canada 2000 PMID[16643021]
NPO15538 Eucalyptus citriodora Species Myrtaceae Eukaryota Leaves the campus of Panjab University, Chandigarh, India PMID[16989303]
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota n.a. stem n.a. PMID[17202689]
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota Flowers n.a. n.a. PMID[17328234]
NPO18811 Magnolia biondii Species Magnoliaceae Eukaryota n.a. flower bud n.a. PMID[17628872]
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[17689080]
NPO25094 Artemisia princeps Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[17996677]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. root n.a. PMID[17997069]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota seeds n.a. n.a. PMID[17998162]
NPO10932 Melissa officinalis Species Lamiaceae Eukaryota stems and leaves n.a. n.a. PMID[18004816]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota rhizomes n.a. n.a. PMID[18177011]
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota Flower buds n.a. n.a. PMID[18321056]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. aerial part n.a. PMID[18991207]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[19271742]
NPO18811 Magnolia biondii Species Magnoliaceae Eukaryota n.a. n.a. n.a. PMID[19370929]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota n.a. n.a. n.a. PMID[1955885]
NPO10932 Melissa officinalis Species Lamiaceae Eukaryota Leaves; Stems n.a. n.a. PMID[19653667]
NPO10932 Melissa officinalis Species Lamiaceae Eukaryota fresh leaves and stems n.a. n.a. PMID[19653667]
NPO1524 Rosa rugosa Species Rosaceae Eukaryota Flowers n.a. n.a. PMID[20467822]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[20590154]
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota n.a. pericarp n.a. PMID[20628994]
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota Rhizomes n.a. n.a. PMID[20879743]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota n.a. fruit n.a. PMID[20879744]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota essential oil Tibet n.a. PMID[20944522]
NPO30686 Citrus hystrix Species Rutaceae Eukaryota n.a. exocarp n.a. PMID[20964319]
NPO15810 Zea mays Species Poaceae Eukaryota n.a. n.a. n.a. PMID[21080643]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. whole plant n.a. PMID[21428416]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[21574561]
NPO15810 Zea mays Species Poaceae Eukaryota n.a. husk n.a. PMID[21574561]
NPO15810 Zea mays Species Poaceae Eukaryota n.a. leaf n.a. PMID[21574561]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota n.a. fruit n.a. PMID[21648406]
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota n.a. flower n.a. PMID[21804227]
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[21807513]
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota flower buds Henan province, China 2005-MAY PMID[21942812]
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota n.a. flower bud n.a. PMID[21942812]
NPO25197 Magnolia sprengeri Species Magnoliaceae Eukaryota n.a. n.a. n.a. PMID[22080044]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[22870812]
NPO4394 Pelargonium graveolens Species Geraniaceae Eukaryota n.a. n.a. n.a. PMID[23027699]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota Rhizomes n.a. n.a. PMID[23153397]
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota n.a. leaf n.a. PMID[23265495]
NPO15810 Zea mays Species Poaceae Eukaryota n.a. seed n.a. PMID[23292602]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[23435948]
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota n.a. rhizome n.a. PMID[23738470]
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota n.a. root n.a. PMID[23738470]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[23747095]
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota rhizomes n.a. n.a. PMID[23755850]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. fruit n.a. PMID[23872723]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota n.a. leaf n.a. PMID[23901173]
NPO1524 Rosa rugosa Species Rosaceae Eukaryota flower buds n.a. n.a. PMID[24063567]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. fruit n.a. PMID[24155209]
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[24175626]
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota Flower buds n.a. n.a. PMID[24279769]
NPO1524 Rosa rugosa Species Rosaceae Eukaryota Roots n.a. n.a. PMID[24461297]
NPO7213 Toddalia asiatica Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[24597921]
NPO15538 Eucalyptus citriodora Species Myrtaceae Eukaryota Essential oil n.a. n.a. PMID[24641242]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. n.a. n.a. PMID[24959987]
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota Rhizomes n.a. n.a. PMID[25275213]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. n.a. n.a. PMID[25302569]
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota n.a. leaf n.a. PMID[25340465]
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[25340465]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[25538068]
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[25577087]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[25737008]
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[26521454]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[27400088]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota n.a. n.a. n.a. PMID[27419473]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[28068085]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota Twigs n.a. n.a. PMID[28541690]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[29192771]
NPO15810 Zea mays Species Poaceae Eukaryota n.a. n.a. n.a. PMID[29762032]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[31181920]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[31418264]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[32996318]
NPO18811 Magnolia biondii Species Magnoliaceae Eukaryota n.a. flower bud n.a. PMID[7779269]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[8064299]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. rhizome n.a. PMID[8064299]
NPO15810 Zea mays Species Poaceae Eukaryota n.a. pollen n.a. PMID[8987503]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[9584408]
NPO11169 Piper cubeba Species Piperaceae Eukaryota n.a. n.a. n.a. Database[Article]
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[Article]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota n.a. n.a. Database[FooDB]
NPO15810 Zea mays Species Poaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO15810 Zea mays Species Poaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Fruit Juice n.a. n.a. Database[FooDB]
NPO15810 Zea mays Species Poaceae Eukaryota Seed Essent. Oil n.a. n.a. Database[FooDB]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota n.a. n.a. Database[FooDB]
NPO15810 Zea mays Species Poaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota Fruit Juice n.a. n.a. Database[FooDB]
NPO10932 Melissa officinalis Species Lamiaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. Database[FooDB]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota Fruit Juice n.a. n.a. Database[FooDB]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota Aril n.a. n.a. Database[FooDB]
NPO23226 Satureja montana Species Lamiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO15810 Zea mays Species Poaceae Eukaryota Husk Essent. Oil n.a. n.a. Database[FooDB]
NPO15810 Zea mays Species Poaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota Bark n.a. n.a. Database[FooDB]
NPO15810 Zea mays Species Poaceae Eukaryota Pollen Or Spore n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Shoot Essent. Oil n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Bark n.a. n.a. Database[FooDB]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota Resin, Exudate, Sap n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO15810 Zea mays Species Poaceae Eukaryota Silk Essent. Oil n.a. n.a. Database[FooDB]
NPO15810 Zea mays Species Poaceae Eukaryota Cob n.a. n.a. Database[FooDB]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota Rhizome n.a. n.a. Database[FooDB]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO15810 Zea mays Species Poaceae Eukaryota Silk Stigma Style n.a. n.a. Database[FooDB]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota Essential Oil n.a. n.a. Database[FooDB]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota Rhizome n.a. n.a. Database[FooDB]
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Sprout Seedling n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Flower n.a. n.a. Database[FooDB]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota Rhizome Essent. Oil n.a. n.a. Database[FooDB]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota n.a. n.a. Database[FooDB]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota Leaf Essent. Oil n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota n.a. n.a. Database[FooDB]
NPO15810 Zea mays Species Poaceae Eukaryota Oil n.a. n.a. Database[FooDB]
NPO15810 Zea mays Species Poaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota Fruits n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Pericarp n.a. n.a. Database[FooDB]
NPO10932 Melissa officinalis Species Lamiaceae Eukaryota Tissue Culture n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO15810 Zea mays Species Poaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO10932 Melissa officinalis Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO15810 Zea mays Species Poaceae Eukaryota n.a. n.a. Database[FooDB]
NPO10932 Melissa officinalis Species Lamiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Root Bark n.a. n.a. Database[FooDB]
NPO25094 Artemisia princeps Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8952 Craibiodendron yunnanese Species Ericaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15064 Magnolia denudata Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22033 Cnidium officinale Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO4394 Pelargonium graveolens Species Geraniaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO18951 Ligusticum sinense 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]
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO10082 Citrus unshiu Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15730 Citrus medica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19048 Pinellia ternata Species Araceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17691 Santalum album Species Santalaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO10932 Melissa officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15294 Magnolia salicifolia Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11169 Piper cubeba Species Piperaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25197 Magnolia sprengeri Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO31073 Ligusticum chuanxiong Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO1918 Magnolia kobus Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO1524 Rosa rugosa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15810 Zea mays Species Poaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO31132 Eucalyptus citriodora Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO18681 Artemisia scoparia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO18811 Magnolia biondii Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7213 Toddalia asiatica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO23226 Satureja montana Species Lamiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO1918 Magnolia kobus Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15064 Magnolia denudata Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11169 Piper cubeba Species Piperaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO10932 Melissa officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22033 Cnidium officinale Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7213 Toddalia asiatica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15730 Citrus medica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO10082 Citrus unshiu Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17691 Santalum album Species Santalaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO1524 Rosa rugosa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4394 Pelargonium graveolens Species Geraniaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18681 Artemisia scoparia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15294 Magnolia salicifolia Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18811 Magnolia biondii Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25197 Magnolia sprengeri Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15538 Eucalyptus citriodora Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO24390 Juniperus rigida Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19048 Pinellia ternata Species Araceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25094 Artemisia princeps Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15810 Zea mays Species Poaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8952 Craibiodendron yunnanese Species Ericaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15730 Citrus medica Species Rutaceae 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]
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO10082 Citrus unshiu Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO1524 Rosa rugosa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO7213 Toddalia asiatica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO4394 Pelargonium graveolens Species Geraniaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO18681 Artemisia scoparia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO19048 Pinellia ternata Species Araceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO15294 Magnolia salicifolia Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO18811 Magnolia biondii Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO15064 Magnolia denudata Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO31311 Citrus reticulate Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO31073 Ligusticum chuanxiong Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO15810 Zea mays Species Poaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO7317.2 Citrus aurantium var. amara engl. Varieties Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO31132 Eucalyptus citriodora Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO17691 Santalum album Species Santalaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO7317 Citrus aurantium Species Rutaceae 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]
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO17954.1 Narcissus tazetta l var. chinensis roem. Varieties Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota n.a. n.a. n.a. Database[Title]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota n.a. n.a. n.a. Database[Title]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO15294 Magnolia salicifolia Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO18811 Magnolia biondii Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO1918 Magnolia kobus Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO25197 Magnolia sprengeri Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO11169 Piper cubeba Species Piperaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO9290 Zanthoxylum piperitum Species Rutaceae 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]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO10492 Artemisia montana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO10082 Citrus unshiu Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO1524 Rosa rugosa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO15730 Citrus medica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO15064 Magnolia denudata Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO17691 Santalum album Species Santalaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO15810 Zea mays Species Poaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO25094 Artemisia princeps Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO22033 Cnidium officinale Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO19048 Pinellia ternata Species Araceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO25443 Citrus reticulata Species Rutaceae 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]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15064 Magnolia denudata Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18811 Magnolia biondii Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7213 Toddalia asiatica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17691 Santalum album Species Santalaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24390 Juniperus rigida Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18681 Artemisia scoparia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1524 Rosa rugosa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25197 Magnolia sprengeri Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19048 Pinellia ternata Species Araceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15538 Eucalyptus citriodora Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15730 Citrus medica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1918 Magnolia kobus Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25094 Artemisia princeps Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2345 Coriandrum sativum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10492 Artemisia montana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4394 Pelargonium graveolens Species Geraniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23226 Satureja montana Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10932 Melissa officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15294 Magnolia salicifolia Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10082 Citrus unshiu Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15810 Zea mays 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
NPO7698 NPC24824 Other Fruit 2.7 1.4 4 mg/100g Database [DUKE]
NPO25443 NPC24824 Raw Fruit 2.55 0.1 5 mg/100g Database [DUKE]
NPO2345 NPC24824 Raw Fruit 0.4 0 0.8 mg/100g Database [DUKE]
NPO3347 NPC24824 Raw Fruit 0.002 0.001 0.003 mg/100g Database [DUKE]
NPO7156 NPC24824 Raw Fruit Juice 0.0001 0.0001 0.0001 mg/100g Database [DUKE]
NPO20414 NPC24824 Raw Plant 120.96 0.02 241.9 mg/100g Database [DUKE]
NPO23226 NPC24824 n.a. Plant 16.3 0.1 32.5 mg/100g Database [DUKE]
NPO20553 NPC24824 Raw Rhizome 325.1 0.2 650 mg/100g Database [DUKE]
NPO10932 NPC24824 Other Shoot 4.5 1 8 mg/100g Database [DUKE]
NPO15538 NPC24824 n.a. Leaves 10.98 ±1.348 n.a. n.a. % PMID[16989303]
NPO15538 NPC24824 n.a. Leaves 12.17 ± 1.019 n.a. n.a. % PMID[16989303]
NPO15538 NPC24824 n.a. Leaves 21.87 ±1.871 n.a. n.a. % PMID[16989303]
NPO15538 NPC24824 n.a. Leaves 7.81 ± 0.973 n.a. n.a. % PMID[16989303]

☑ 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
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition < 30.0 % PMID[524520]
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency n.a. 74978.0 nM PMID[524521]
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency n.a. 32642.7 nM PMID[524530]
NPT472 Individual Protein Vanilloid receptor Homo sapiens Activity = 43.0 uM PMID[524532]
NPT1534 Individual Protein Transient receptor potential cation channel subfamily A member 1 Rattus norvegicus Efficacy = 26.1 % PMID[524532]
NPT1534 Individual Protein Transient receptor potential cation channel subfamily A member 1 Rattus norvegicus EC50 > 100000.0 nM PMID[524532]
NPT1534 Individual Protein Transient receptor potential cation channel subfamily A member 1 Rattus norvegicus IC50 > 100000.0 nM PMID[524532]
NPT1841 Individual Protein Transient receptor potential cation channel subfamily M member 8 Rattus norvegicus Efficacy < 10.0 % PMID[524532]
NPT1841 Individual Protein Transient receptor potential cation channel subfamily M member 8 Rattus norvegicus IC50 > 100000.0 nM PMID[524532]
NPT472 Individual Protein Vanilloid receptor Homo sapiens Efficacy < 10.0 % PMID[524532]
NPT472 Individual Protein Vanilloid receptor Homo sapiens IC50 > 100000.0 nM PMID[524532]
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency n.a. 61644.8 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 192000.0 nM PMID[524519]
NPT20 Organism Candida albicans Candida albicans MIC > 200.0 ug.mL-1 PMID[524519]
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 3548.1 nM PMID[524521]
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens Potency = 7943.3 nM PMID[524521]
NPT2 Others Unspecified Potency = 39810.7 nM PMID[524522]
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 0.0 pm/min/mg PMID[524523]
NPT35 Others n.a. LogP = 3.91 n.a. PMID[524524]
NPT1419 Organism Tribolium castaneum Tribolium castaneum Repellency = 40.0 % PMID[524524]
NPT1419 Organism Tribolium castaneum Tribolium castaneum Repellency = 43.0 % PMID[524524]
NPT1419 Organism Tribolium castaneum Tribolium castaneum Repellency = 30.0 % PMID[524524]
NPT1419 Organism Tribolium castaneum Tribolium castaneum Repellency = 45.0 % PMID[524524]
NPT1419 Organism Tribolium castaneum Tribolium castaneum Repellency = 60.0 % PMID[524524]
NPT1419 Organism Tribolium castaneum Tribolium castaneum Repellency = 85.0 % PMID[524524]
NPT1419 Organism Tribolium castaneum Tribolium castaneum Repellency = 74.0 % PMID[524524]
NPT1419 Organism Tribolium castaneum Tribolium castaneum Repellency = 59.0 % PMID[524524]
NPT1419 Organism Tribolium castaneum Tribolium castaneum Repellency = 96.0 % PMID[524524]
NPT1275 Organism Leptinotarsa decemlineata Leptinotarsa decemlineata mortality = 6.7 % PMID[524525]
NPT1275 Organism Leptinotarsa decemlineata Leptinotarsa decemlineata mortality = 3.3 % PMID[524525]
NPT1275 Organism Leptinotarsa decemlineata Leptinotarsa decemlineata mortality = 0.0 % PMID[524525]
NPT1275 Organism Leptinotarsa decemlineata Leptinotarsa decemlineata mortality = 40.0 % PMID[524525]
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides EC50 = 84.0 ug.mL-1 PMID[524526]
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides EC50 = 537031.8 nM PMID[524526]
NPT1275 Organism Leptinotarsa decemlineata Leptinotarsa decemlineata mortality = 46.7 % PMID[524525]
NPT1275 Organism Leptinotarsa decemlineata Leptinotarsa decemlineata mortality = 50.0 % PMID[524525]
NPT1275 Organism Leptinotarsa decemlineata Leptinotarsa decemlineata mortality = 16.7 % PMID[524525]
NPT1275 Organism Leptinotarsa decemlineata Leptinotarsa decemlineata mortality = 20.0 % PMID[524525]
NPT1275 Organism Leptinotarsa decemlineata Leptinotarsa decemlineata mortality = 26.7 % PMID[524525]
NPT1275 Organism Leptinotarsa decemlineata Leptinotarsa decemlineata mortality = 23.3 % PMID[524525]
NPT1275 Organism Leptinotarsa decemlineata Leptinotarsa decemlineata mortality = 13.3 % PMID[524525]
NPT350 Organism Tetranychus urticae Tetranychus urticae LC50 = 26.0 microg/cm3 PMID[524527]
NPT350 Organism Tetranychus urticae Tetranychus urticae LC50 = 25.9 microg/cm3 PMID[524527]
NPT350 Organism Tetranychus urticae Tetranychus urticae LC50 = 21.4 microg/cm3 PMID[524527]
NPT350 Organism Tetranychus urticae Tetranychus urticae LC50 = 26.1 microg/cm3 PMID[524527]
NPT350 Organism Tetranychus urticae Tetranychus urticae LC50 = 21.7 microg/cm3 PMID[524527]
NPT724 Organism Corticium Corticium GI = 100.0 % PMID[524528]
NPT724 Organism Corticium Corticium GI = 23.9 % PMID[524528]
NPT723 Organism Pythium Pythium GI = 100.0 % PMID[524528]
NPT723 Organism Pythium Pythium GI = 68.9 % PMID[524528]
NPT722 Organism Athelia rolfsii Athelia rolfsii GI = 23.9 % PMID[524529]
NPT723 Organism Pythium Pythium GI = 68.9 % PMID[524529]
NPT723 Organism Pythium Pythium GI = 0.0 % PMID[524529]
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv GI = 100.0 % PMID[524531]
NPT35 Others n.a. log K = 0.69 n.a. PMID[524531]
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 64.0 ug.mL-1 PMID[524531]
NPT21312 SINGLE PROTEIN Diacylglycerol O-acyltransferase 1 Bos taurus Inhibition = 30.0 % PMID[524533]
NPT21313 SINGLE PROTEIN Lecithin retinol acyltransferase Bos taurus Inhibition = 0.0 % PMID[524533]
NPT2 Others Unspecified Potency n.a. 28336.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 57044.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 2271 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 22710 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 30637.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 27306 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 565.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 79863.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 77 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 NPC24824 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 NPC210560
1.0 High Similarity NPC165651
0.8511 High Similarity NPC62755
0.8261 Intermediate Similarity NPC87439
0.8235 Intermediate Similarity NPC130209
0.8235 Intermediate Similarity NPC148163
0.8235 Intermediate Similarity NPC148216
0.8222 Intermediate Similarity NPC269862
0.8182 Intermediate Similarity NPC188596
0.7959 Intermediate Similarity NPC329773
0.7907 Intermediate Similarity NPC40434
0.7907 Intermediate Similarity NPC34873
0.7885 Intermediate Similarity NPC232247
0.7885 Intermediate Similarity NPC251666
0.7826 Intermediate Similarity NPC252978
0.78 Intermediate Similarity NPC214584
0.78 Intermediate Similarity NPC26906
0.78 Intermediate Similarity NPC244038
0.7778 Intermediate Similarity NPC226848
0.7778 Intermediate Similarity NPC155025
0.7755 Intermediate Similarity NPC234597
0.7736 Intermediate Similarity NPC48891
0.7647 Intermediate Similarity NPC181255
0.7647 Intermediate Similarity NPC179169
0.7647 Intermediate Similarity NPC157781
0.7647 Intermediate Similarity NPC35519
0.7647 Intermediate Similarity NPC306195
0.7636 Intermediate Similarity NPC475931
0.7636 Intermediate Similarity NPC122239
0.76 Intermediate Similarity NPC26960
0.76 Intermediate Similarity NPC289388
0.76 Intermediate Similarity NPC182102
0.7547 Intermediate Similarity NPC281590
0.7547 Intermediate Similarity NPC227135
0.75 Intermediate Similarity NPC76976
0.75 Intermediate Similarity NPC66020
0.75 Intermediate Similarity NPC99487
0.75 Intermediate Similarity NPC240506
0.75 Intermediate Similarity NPC140501
0.7455 Intermediate Similarity NPC475830
0.7455 Intermediate Similarity NPC10017
0.7451 Intermediate Similarity NPC244452
0.7368 Intermediate Similarity NPC225342
0.7368 Intermediate Similarity NPC68679
0.7368 Intermediate Similarity NPC207007
0.7368 Intermediate Similarity NPC274704
0.7368 Intermediate Similarity NPC321867
0.7333 Intermediate Similarity NPC255042
0.7333 Intermediate Similarity NPC103213
0.7333 Intermediate Similarity NPC182840
0.7333 Intermediate Similarity NPC29091
0.7308 Intermediate Similarity NPC177112
0.7308 Intermediate Similarity NPC35756
0.7308 Intermediate Similarity NPC71506
0.7308 Intermediate Similarity NPC170167
0.7273 Intermediate Similarity NPC52012
0.7255 Intermediate Similarity NPC474460
0.7241 Intermediate Similarity NPC473508
0.7241 Intermediate Similarity NPC211291
0.7241 Intermediate Similarity NPC279200
0.7241 Intermediate Similarity NPC474155
0.7241 Intermediate Similarity NPC133368
0.7241 Intermediate Similarity NPC473759
0.7234 Intermediate Similarity NPC68889
0.7234 Intermediate Similarity NPC180871
0.7234 Intermediate Similarity NPC209279
0.7234 Intermediate Similarity NPC51758
0.7234 Intermediate Similarity NPC67761
0.7234 Intermediate Similarity NPC88079
0.7234 Intermediate Similarity NPC108494
0.7234 Intermediate Similarity NPC194586
0.7222 Intermediate Similarity NPC329686
0.7222 Intermediate Similarity NPC298299
0.717 Intermediate Similarity NPC474496
0.7143 Intermediate Similarity NPC181872
0.7119 Intermediate Similarity NPC225415
0.7119 Intermediate Similarity NPC290367
0.7119 Intermediate Similarity NPC309300
0.7119 Intermediate Similarity NPC107540
0.7119 Intermediate Similarity NPC300593
0.7115 Intermediate Similarity NPC473672
0.7115 Intermediate Similarity NPC474495
0.7083 Intermediate Similarity NPC116934
0.7083 Intermediate Similarity NPC15162
0.7069 Intermediate Similarity NPC475251
0.7037 Intermediate Similarity NPC286752
0.7021 Intermediate Similarity NPC269823
0.7018 Intermediate Similarity NPC278202
0.7 Intermediate Similarity NPC308844
0.7 Intermediate Similarity NPC61503
0.7 Intermediate Similarity NPC276009
0.7 Intermediate Similarity NPC19569
0.7 Intermediate Similarity NPC22098
0.7 Intermediate Similarity NPC477009
0.7 Intermediate Similarity NPC238352
0.7 Intermediate Similarity NPC195246
0.7 Intermediate Similarity NPC471200
0.6981 Remote Similarity NPC216407
0.6981 Remote Similarity NPC294358
0.6981 Remote Similarity NPC40417
0.6981 Remote Similarity NPC68014
0.6977 Remote Similarity NPC283682
0.6964 Remote Similarity NPC278550
0.6957 Remote Similarity NPC15934
0.6939 Remote Similarity NPC108195
0.6923 Remote Similarity NPC288381
0.6923 Remote Similarity NPC20934
0.6909 Remote Similarity NPC84824
0.6909 Remote Similarity NPC67508
0.6909 Remote Similarity NPC223604
0.6897 Remote Similarity NPC471081
0.6885 Remote Similarity NPC326310
0.6885 Remote Similarity NPC149680
0.6885 Remote Similarity NPC267027
0.6885 Remote Similarity NPC311736
0.6885 Remote Similarity NPC222366
0.6885 Remote Similarity NPC202017
0.6885 Remote Similarity NPC272125
0.6885 Remote Similarity NPC286669
0.6885 Remote Similarity NPC476039
0.6885 Remote Similarity NPC162309
0.6875 Remote Similarity NPC46248
0.6875 Remote Similarity NPC249801
0.6875 Remote Similarity NPC256766
0.6875 Remote Similarity NPC213538
0.6863 Remote Similarity NPC100445
0.6852 Remote Similarity NPC217188
0.6833 Remote Similarity NPC323424
0.6833 Remote Similarity NPC110241
0.6833 Remote Similarity NPC96793
0.68 Remote Similarity NPC160628
0.68 Remote Similarity NPC276825
0.6792 Remote Similarity NPC48162
0.6786 Remote Similarity NPC274396
0.6786 Remote Similarity NPC24443
0.678 Remote Similarity NPC64971
0.6774 Remote Similarity NPC73603
0.6774 Remote Similarity NPC197805
0.6774 Remote Similarity NPC259299
0.6774 Remote Similarity NPC69649
0.6774 Remote Similarity NPC472253
0.6774 Remote Similarity NPC163290
0.6774 Remote Similarity NPC171225
0.6774 Remote Similarity NPC136813
0.6774 Remote Similarity NPC472255
0.6774 Remote Similarity NPC68703
0.6774 Remote Similarity NPC114651
0.6774 Remote Similarity NPC477791
0.6735 Remote Similarity NPC106819
0.6724 Remote Similarity NPC5698
0.6724 Remote Similarity NPC469321
0.6721 Remote Similarity NPC474329
0.6721 Remote Similarity NPC163678
0.6721 Remote Similarity NPC474304
0.6667 Remote Similarity NPC224532
0.6667 Remote Similarity NPC117804
0.6667 Remote Similarity NPC160209
0.6667 Remote Similarity NPC208999
0.6667 Remote Similarity NPC11130
0.6667 Remote Similarity NPC92224
0.6667 Remote Similarity NPC470040
0.6667 Remote Similarity NPC96484
0.6667 Remote Similarity NPC61665
0.6667 Remote Similarity NPC282119
0.6667 Remote Similarity NPC167527
0.6667 Remote Similarity NPC216460
0.6667 Remote Similarity NPC305698
0.661 Remote Similarity NPC47840
0.661 Remote Similarity NPC234264
0.661 Remote Similarity NPC469694
0.661 Remote Similarity NPC252809
0.661 Remote Similarity NPC135648
0.661 Remote Similarity NPC323153
0.6607 Remote Similarity NPC67367
0.6607 Remote Similarity NPC218525
0.6604 Remote Similarity NPC225974
0.66 Remote Similarity NPC138935
0.6562 Remote Similarity NPC101622
0.6562 Remote Similarity NPC474248
0.6562 Remote Similarity NPC471560
0.6562 Remote Similarity NPC473893
0.6562 Remote Similarity NPC167272
0.6562 Remote Similarity NPC329989
0.6562 Remote Similarity NPC217570
0.6562 Remote Similarity NPC239373
0.6562 Remote Similarity NPC269877
0.6562 Remote Similarity NPC90115
0.6545 Remote Similarity NPC192962
0.6545 Remote Similarity NPC165755
0.6531 Remote Similarity NPC304151
0.6522 Remote Similarity NPC177022
0.6522 Remote Similarity NPC190810
0.6522 Remote Similarity NPC76145
0.6522 Remote Similarity NPC34764
0.6512 Remote Similarity NPC206088
0.6508 Remote Similarity NPC472875
0.6508 Remote Similarity NPC476650
0.6508 Remote Similarity NPC82337
0.6508 Remote Similarity NPC96962
0.65 Remote Similarity NPC63111

  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 NPC24824 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
0.8235 Intermediate Similarity NPD342 Phase 1
0.75 Intermediate Similarity NPD4265 Approved
0.7368 Intermediate Similarity NPD368 Approved
0.6562 Remote Similarity NPD6922 Approved
0.6562 Remote Similarity NPD6923 Approved
0.6522 Remote Similarity NPD319 Phase 1
0.6491 Remote Similarity NPD4219 Approved
0.6462 Remote Similarity NPD7143 Approved
0.6462 Remote Similarity NPD7144 Approved
0.6364 Remote Similarity NPD7152 Approved
0.6364 Remote Similarity NPD7150 Approved
0.6364 Remote Similarity NPD7151 Approved
0.6176 Remote Similarity NPD6924 Approved
0.6176 Remote Similarity NPD6926 Approved
0.6111 Remote Similarity NPD3173 Approved
0.6087 Remote Similarity NPD7339 Approved
0.6087 Remote Similarity NPD6942 Approved
0.6087 Remote Similarity NPD8264 Approved
0.6029 Remote Similarity NPD4732 Discontinued
0.6 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6 Remote Similarity NPD6933 Approved
0.5915 Remote Similarity NPD6932 Approved
0.5915 Remote Similarity NPD5776 Phase 2
0.5915 Remote Similarity NPD6925 Approved
0.5849 Remote Similarity NPD39 Approved
0.5849 Remote Similarity NPD4222 Approved
0.5846 Remote Similarity NPD7331 Phase 2
0.5833 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5833 Remote Similarity NPD7145 Approved
0.5818 Remote Similarity NPD9410 Clinical (unspecified phase)
0.5806 Remote Similarity NPD4246 Clinical (unspecified phase)
0.5753 Remote Similarity NPD7645 Phase 2
0.5753 Remote Similarity NPD6683 Phase 2
0.5753 Remote Similarity NPD6929 Approved
0.5692 Remote Similarity NPD2685 Clinical (unspecified phase)
0.569 Remote Similarity NPD3172 Approved
0.5676 Remote Similarity NPD6930 Phase 2
0.5676 Remote Similarity NPD7514 Phase 3
0.5676 Remote Similarity NPD7332 Phase 2
0.5676 Remote Similarity NPD7525 Registered
0.5676 Remote Similarity NPD7509 Discontinued
0.5676 Remote Similarity NPD6931 Approved
0.5652 Remote Similarity NPD4243 Approved
0.5616 Remote Similarity NPD4268 Approved
0.5616 Remote Similarity NPD4271 Approved
0.5616 Remote Similarity NPD5784 Clinical (unspecified phase)
0.56 Remote Similarity NPD6898 Phase 1
0.56 Remote Similarity NPD6902 Approved
0.56 Remote Similarity NPD5783 Phase 3

  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