Structure

Physi-Chem Properties

Molecular Weight:  164.12
Volume:  191.137
LogP:  3.753
LogD:  3.87
LogS:  -3.828
# Rotatable Bonds:  2
TPSA:  9.23
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  1

MedChem Properties

QED Drug-Likeness Score:  0.652
Synthetic Accessibility Score:  1.571
Fsp3:  0.455
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:  -4.406
MDCK Permeability:  2.1966343410895206e-05
Pgp-inhibitor:  0.116
Pgp-substrate:  0.073
Human Intestinal Absorption (HIA):  0.006
20% Bioavailability (F20%):  0.952
30% Bioavailability (F30%):  0.955

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):  0.807
Plasma Protein Binding (PPB):  95.09151458740234%
Volume Distribution (VD):  2.204
Pgp-substrate:  5.017766952514648%

ADMET: Metabolism

CYP1A2-inhibitor:  0.942
CYP1A2-substrate:  0.956
CYP2C19-inhibitor:  0.807
CYP2C19-substrate:  0.933
CYP2C9-inhibitor:  0.438
CYP2C9-substrate:  0.788
CYP2D6-inhibitor:  0.615
CYP2D6-substrate:  0.92
CYP3A4-inhibitor:  0.227
CYP3A4-substrate:  0.628

ADMET: Excretion

Clearance (CL):  8.538
Half-life (T1/2):  0.392

ADMET: Toxicity

hERG Blockers:  0.024
Human Hepatotoxicity (H-HT):  0.052
Drug-inuced Liver Injury (DILI):  0.519
AMES Toxicity:  0.043
Rat Oral Acute Toxicity:  0.063
Maximum Recommended Daily Dose:  0.052
Skin Sensitization:  0.088
Carcinogencity:  0.468
Eye Corrosion:  0.473
Eye Irritation:  0.977
Respiratory Toxicity:  0.046

Download Data

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

  Natural Product: NPC24327

Natural Product ID:  NPC24327
Common Name*:   2-Methoxy-4-Methyl-1-Propan-2-Ylbenzene
IUPAC Name:   2-methoxy-4-methyl-1-propan-2-ylbenzene
Synonyms:  
Standard InCHIKey:  LSQXNMXDFRRDSJ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3
SMILES:  COc1cc(C)ccc1C(C)C
Synthetic Gene Cluster:   n.a.
ChEMBL Identifier:   CHEMBL2424841
PubChem CID:   14104
Chemical Classification**:  
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000012] Lipids and lipid-like molecules
      • [CHEMONTID:0000259] Prenol lipids
        • [CHEMONTID:0001549] Monoterpenoids
          • [CHEMONTID:0000051] Aromatic 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
NPO19965 Helenium alternifolium Species Asteraceae Eukaryota n.a. aerial part n.a. DOI[10.1021/jo01271a036]
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota n.a. n.a. n.a. DOI[10.1078/0176-1617-00195]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. fruit n.a. PMID[10606547]
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota n.a. n.a. n.a. PMID[10757735]
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota n.a. root n.a. PMID[10945272]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota Leaves n.a. n.a. PMID[12088434]
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota roots n.a. n.a. PMID[12398547]
NPO15275 Briareum asbestinum Species Briareidae Eukaryota n.a. n.a. n.a. PMID[12662092]
NPO23006 Moringa stenopetala Species Moringaceae Eukaryota n.a. n.a. n.a. PMID[12709911]
NPO21891 Panax notoginseng Species Araliaceae Eukaryota Flower buds n.a. n.a. PMID[12880307]
NPO5049 Garcinia multiflora Species Clusiaceae Eukaryota stems n.a. n.a. PMID[12932126]
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota n.a. n.a. n.a. PMID[14735439]
NPO17534 Uvaria chamae Species Annonaceae Eukaryota roots n.a. n.a. PMID[15217292]
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota n.a. n.a. n.a. PMID[15332846]
NPO1396 Cladogynos orientalis n.a. n.a. n.a. n.a. n.a. n.a. PMID[15679308]
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota n.a. callus n.a. PMID[15715262]
NPO29169 Origanum vulgare Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[16249088]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. n.a. n.a. PMID[16562834]
NPO15275 Briareum asbestinum Species Briareidae Eukaryota n.a. Caribbean n.a. PMID[1686898]
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota n.a. Amami Oshima, Kagoshima Prefecture, Japan n.a. PMID[16933862]
NPO21891 Panax notoginseng Species Araliaceae Eukaryota Stems n.a. n.a. PMID[17663584]
NPO14937 Gelonium aequoreum Species Euphorbiaceae Eukaryota n.a. leaf n.a. PMID[17714747]
NPO4682 Lindera aggregata Species Lauraceae Eukaryota n.a. leaf n.a. PMID[17999353]
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota n.a. root n.a. PMID[18164718]
NPO21891 Panax notoginseng Species Araliaceae Eukaryota Roots n.a. n.a. PMID[18186611]
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota n.a. n.a. n.a. PMID[18220354]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. leaf n.a. PMID[18409045]
NPO17043 Lycopodium casuarinoides Species Lycopodiaceae Eukaryota n.a. n.a. n.a. PMID[18485717]
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota n.a. rhizome n.a. PMID[18787781]
NPO29016 Valeriana jatamansi Species Caprifoliaceae Eukaryota n.a. n.a. n.a. PMID[19245261]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota aerial parts n.a. n.a. PMID[19299148]
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota n.a. n.a. n.a. PMID[19331379]
NPO4682 Lindera aggregata Species Lauraceae Eukaryota Roots; Tubers n.a. n.a. PMID[19639966]
NPO29141 Panax ginseng Species Araliaceae Eukaryota flower buds n.a. n.a. PMID[19926279]
NPO29016 Valeriana jatamansi Species Caprifoliaceae Eukaryota n.a. n.a. n.a. PMID[20151678]
NPO28807 Laggera pterodonta Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[20506820]
NPO5049 Garcinia multiflora Species Clusiaceae Eukaryota twigs n.a. n.a. PMID[20681570]
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota n.a. n.a. n.a. PMID[20853876]
NPO29016 Valeriana jatamansi Species Caprifoliaceae Eukaryota n.a. n.a. n.a. PMID[20853876]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. root n.a. PMID[2092947]
NPO29169 Origanum vulgare Species Lamiaceae Eukaryota n.a. aerial part n.a. PMID[20973550]
NPO29141 Panax ginseng Species Araliaceae Eukaryota berry n.a. n.a. PMID[21216145]
NPO6741 Metasequoia glyptostroboides Species Cupressaceae Eukaryota n.a. n.a. n.a. PMID[21226514]
NPO6741 Metasequoia glyptostroboides Species Cupressaceae Eukaryota n.a. leaf n.a. PMID[21226514]
NPO6741 Metasequoia glyptostroboides Species Cupressaceae Eukaryota n.a. stem n.a. PMID[21226514]
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[21302967]
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota n.a. n.a. n.a. PMID[21563811]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[21574561]
NPO20835 Medicago truncatula Species Fabaceae Eukaryota n.a. root n.a. PMID[21615146]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[21707257]
NPO21278 Lysimachia clethroides Species Primulaceae Eukaryota n.a. aerial part n.a. PMID[21928797]
NPO16026 Gnetum montanum Species Gnetaceae Eukaryota n.a. leaf n.a. PMID[22040053]
NPO16026 Gnetum montanum Species Gnetaceae Eukaryota leaves Guangxi Province, China 2000-JAN PMID[22040053]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota n.a. stem n.a. PMID[22210168]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota n.a. leaf n.a. PMID[22210168]
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota leaves n.a. n.a. PMID[22272932]
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota roots n.a. n.a. PMID[22381047]
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota n.a. seed n.a. PMID[23497864]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[23747095]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. fruit n.a. PMID[24155209]
NPO29141 Panax ginseng Species Araliaceae Eukaryota leaves n.a. n.a. PMID[24290061]
NPO12182 Murraya exotica Species Rutaceae Eukaryota n.a. leaf n.a. PMID[24354205]
NPO12182 Murraya exotica Species Rutaceae Eukaryota n.a. twig n.a. PMID[24354205]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. leaf n.a. PMID[24354205]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. twig n.a. PMID[24354205]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. n.a. n.a. PMID[24959987]
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]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. n.a. n.a. PMID[25302569]
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[25320841]
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[25333853]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota n.a. n.a. n.a. PMID[25700090]
NPO21891 Panax notoginseng Species Araliaceae Eukaryota Steamed Roots n.a. n.a. PMID[26200131]
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota roots n.a. n.a. PMID[26259802]
NPO25140 Sapium sebiferum Species Euphorbiaceae Eukaryota n.a. leaf n.a. PMID[26281591]
NPO29141 Panax ginseng Species Araliaceae Eukaryota stems-leaves n.a. n.a. PMID[26420067]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota Leaves n.a. n.a. PMID[2691636]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[2691636]
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[27228227]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. stem n.a. PMID[27914541]
NPO29141 Panax ginseng Species Araliaceae Eukaryota Flower Buds n.a. n.a. PMID[28345906]
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota n.a. n.a. n.a. PMID[28445039]
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota n.a. n.a. n.a. PMID[28485933]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[29192771]
NPO12182 Murraya exotica Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[29303577]
NPO22372 Callicarpa bodinieri Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[29578342]
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota Roots n.a. n.a. PMID[30024167]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. PMID[32129622]
NPO25140 Sapium sebiferum Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[3404159]
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota n.a. root n.a. PMID[547813]
NPO17043 Lycopodium casuarinoides Species Lycopodiaceae Eukaryota n.a. n.a. n.a. PMID[7931368]
NPO17534 Uvaria chamae Species Annonaceae Eukaryota n.a. root n.a. PMID[845713]
NPO13635 Rhodiola quadrifida Species Crassulaceae Eukaryota n.a. root n.a. PMID[8945774]
NPO5049 Garcinia multiflora Species Clusiaceae Eukaryota Twigs and leaves Taichung, Taiwan 1993-Aug PMID[9322359]
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[9544564]
NPO14240 Justicia ghiesbreghtiana Species Acanthaceae Eukaryota n.a. n.a. n.a. PMID[9748395]
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[Article]
NPO29169 Origanum vulgare Species Lamiaceae Eukaryota Shoot Essent. Oil n.a. n.a. Database[FooDB]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Shoot Essent. Oil 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 Sprout Seedling n.a. n.a. Database[FooDB]
NPO29169 Origanum vulgare Species Lamiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO18952 Sambucus nigra Species Adoxaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO29169 Origanum vulgare Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO18952 Sambucus nigra Species Adoxaceae Eukaryota n.a. n.a. Database[FooDB]
NPO29169 Origanum vulgare Species Lamiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota n.a. n.a. Database[FooDB]
NPO18952 Sambucus nigra Species Adoxaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO10980 Petasites japonicus Species Asteraceae Eukaryota n.a. n.a. Database[FooDB]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota Essential Oil n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO10980 Petasites japonicus Species Asteraceae Eukaryota Pt n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO18952 Sambucus nigra Species Adoxaceae Eukaryota Flower n.a. n.a. Database[FooDB]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Flower n.a. n.a. Database[FooDB]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO18952 Sambucus nigra Species Adoxaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO10980 Petasites japonicus 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]
NPO6741 Metasequoia glyptostroboides Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO12584 Atractylodes chinensis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO5166 Adonis sutchuenensis Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO13635 Rhodiola quadrifida Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29169 Origanum vulgare Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14108 Nardostachys jatamansi Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO21221 Trapa bispinosa Species Lythraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11874 Ambrosia hispida Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17534 Uvaria chamae Species Annonaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO5049 Garcinia multiflora Species Clusiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO18952 Sambucus nigra Species Adoxaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO21343 Eupatorium fortunei 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]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO10082 Citrus unshiu Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19264 Macleaya cordata Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. Database[MetaboLights]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO20414 Ocimum basilicum Species Lamiaceae 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]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12584 Atractylodes chinensis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17043 Lycopodium casuarinoides Species Lycopodiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5049 Garcinia multiflora Species Clusiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17534 Uvaria chamae Species Annonaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18952 Sambucus nigra Species Adoxaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15763 Huperzia lucidula Species Lycopodiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21221 Trapa bispinosa Species Lythraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15478 Senna sophera Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12182 Murraya exotica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21278 Lysimachia clethroides Species Primulaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4682 Lindera aggregata Species Lauraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22438 Asclepias speciosa Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13635 Rhodiola quadrifida Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11874 Ambrosia hispida Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25140 Sapium sebiferum Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO6741 Metasequoia glyptostroboides Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5195.1 Odontites vernus subsp. serotinus Subspecies Orobanchaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19264 Macleaya cordata Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8306 Berneuxia thibetica Species Diapensiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO24644 Hansenia forbesii Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21413 Armillaria tabescens Species Physalacriaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO10082 Citrus unshiu Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19584 Pericarpium citri reticulatae n.a. n.a. n.a. n.a. n.a. n.a. Database[TCMID]
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5166 Adonis sutchuenensis Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29169 Origanum vulgare Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14802.1 Lonicera tatarica var. morrowii Varieties Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14108 Nardostachys jatamansi Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO10980 Petasites japonicus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2865 Abrus precatorius Species Fabaceae 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]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO21891 Panax notoginseng Species Araliaceae 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]
NPO21343 Eupatorium fortunei Species Asteraceae 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]
NPO5049 Garcinia multiflora Species Clusiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO8306 Berneuxia thibetica Species Diapensiaceae 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]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO21221 Trapa bispinosa Species Lythraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO12584 Atractylodes chinensis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO29169 Origanum vulgare Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO12468 Asarum heterotropoides Species Aristolochiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO10980 Petasites japonicus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO8650 Perilla frutescens Species Lamiaceae 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]
NPO14108 Nardostachys jatamansi Species Caprifoliaceae 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]
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO28807 Laggera pterodonta Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO2953 Ostericum grosseserratum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO24644 Hansenia forbesii Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO14108 Nardostachys jatamansi Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO4659 Asiasarum heterotropoides n.a. n.a. n.a. n.a. n.a. n.a. Database[TM-MC]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO29078 Asiasarum sieboldii n.a. n.a. n.a. n.a. n.a. n.a. Database[TM-MC]
NPO13346 Lindera strichnifolia Species Tineidae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO8650 Perilla frutescens Species Lamiaceae 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]
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO4682 Lindera aggregata Species Lauraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO12584 Atractylodes chinensis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO12468 Asarum heterotropoides Species Aristolochiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO12182 Murraya exotica Species Rutaceae 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]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO29016 Valeriana jatamansi Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO21891 Panax notoginseng Species Araliaceae 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]
NPO643 Astragalus ernestii Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28103 Erica carnea Species Ericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12584 Atractylodes chinensis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8115 Polyopes affinis Species Halymeniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21493 Bunodosoma caissarum Species Actiniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3445 Dumoria heckeli n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO19891 Diospyros crassiflora Species Ebenaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20583 Phaulopsis imbricata Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5195.1 Odontites vernus subsp. serotinus Subspecies Orobanchaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1396 Cladogynos orientalis n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16719 Alluaudia dumosa Species Didiereaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1049 Tethya amamensis Species Tethyidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21089 Mourera fluviatilis Species Podostemaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21221 Trapa bispinosa Species Lythraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO117 Acacia armata Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9256 Lecanora nipponica Species Lecanoraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10679 Scutellaria nepetoides Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14108 Nardostachys jatamansi Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1545 Baeckea crenulata Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4836 Sideritis arborescens Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7793 Matricaria matricarioides Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22698 Achillea pannonica Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20381 Echites hirsuta Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1541 Clusia ellipticifolia Species Clusiidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19654 Hydnocarpus venenata Species Achariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1428 Linzia glabra Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12606 Achillea spinulifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25140 Sapium sebiferum Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15763 Huperzia lucidula Species Lycopodiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1706 Eragrostis curvula Species Poaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16026 Gnetum montanum Species Gnetaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14140 Vernonia arbor Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22308 Stevia satureiaefolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23006 Moringa stenopetala Species Moringaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15102 Senegalia tenuifolia Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10034 Penstemon mucronatus Species Plantaginaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24279 Streptomyces inusitatus Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO15344 Metopium brownei Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20088 Piper sintenense Species Piperaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22953 Eupatorium pauciflorum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19264 Macleaya cordata Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22372 Callicarpa bodinieri Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21725 Uncaria glabrata Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18199 Thermotoga maritima Species Thermotogaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO7743 Helicoverpa zea Species 0ctuidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5166 Adonis sutchuenensis Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12264 Mutisia orbignyana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20896 Mimosa tenuiflora Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21654 Cyerce cristallina Species Caliphyllidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12388 Saccharopolyspora hirsuta Species Pseudonocardiaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO8306 Berneuxia thibetica Species Diapensiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21158 Viburnum fur Species Adoxaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18952 Sambucus nigra Species Adoxaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10637 Byssochlamys fulva Species Thermoascaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20203 Syringa komarowi Species Oleaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11989 Erythrostemon gilliesii Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19991 Mantella aurantiaca Species Mantellidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21599 Ricciocarpos natans Species Ricciaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13682 Lonchocarpus laxiflorus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16558 Mallotus stenanthus Species Salangidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19965 Helenium alternifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9482 Durio kutejensis Species Malvaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5339 Isophysis tasmanica Species Iridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO845 Cyrtanthus obliquus Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3903 Hemizonia congesta Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13635 Rhodiola quadrifida Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8132 Fritillaria meleagris Species Liliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13409 Crocus asturicus Species Iridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3661 Goniothalamus tamirensis Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20261 Teucrium trifidum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16231 Helichrysum acutatum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7387 Aster batangensis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2008 Streptomyces ehimensis Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO21413 Armillaria tabescens Species Physalacriaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20021 Physcia aegialita Species Physciaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1203 Solanum pseudoquina Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27929 Aphanamixis polystachya Species Meliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12468 Asarum heterotropoides Species Aristolochiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8950 Stilpnopappus pickelii n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO27489 Alloascoidea hylecoeti Species Alloascoideaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14937 Gelonium aequoreum Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20835 Medicago truncatula Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12036 Fritillaria raddeana Species Liliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11874 Ambrosia hispida Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14473 Stellaria delavayi Species Caryophyllaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29078 Asiasarum sieboldii n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26905 Moringa aptera Species Moringaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1965 Alnus incana Species Betulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20707 Stillingia sanguinolenta Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11695 Petasites hybridus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5049 Garcinia multiflora Species Clusiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14240 Justicia ghiesbreghtiana Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24644 Hansenia forbesii Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20967 Doriopsilla albopunctata Species Dendrodorididae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21316.1 Barbarea vulgaris subsp. arcuata Subspecies Brassicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5668 Allium waldsteinii Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8742 Hamamelistes betulae Species Hormaphididae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29016 Valeriana jatamansi Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4478 Parmelia pseudoreticulata Species Parmeliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2323 Plantago lundborgii Species Plantaginaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25443 Citrus reticulata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10302 Sphagnum rubellum Species Sphagnaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21278 Lysimachia clethroides Species Primulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22048 Pteris palmiformis Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5874 Fumago vagans n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO17534 Uvaria chamae Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18691 Mycale cecilia Species Mycalidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26325 Annulusmagnus triseptatus Species Annulatascaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12182 Murraya exotica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17043 Lycopodium casuarinoides Species Lycopodiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13988 Westiella intricata Species Hapalosiphonaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO28807 Laggera pterodonta Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12304 Ascocoryne sarcoides Species Helotiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29169 Origanum vulgare Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6402 Sideritis kuegleriana Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18465 Cryptocarya triplinervis Species Lauraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15275 Briareum asbestinum Species Briareidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15464 Argylia radiata Species Bignoniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22438 Asclepias speciosa Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4659 Asiasarum heterotropoides n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO21891 Panax notoginseng Species Araliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12491 Astragalus onobrychis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12942 Amphimedon terpenensis Species Niphatidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17179 Elizabethkingia meningoseptica Species Flavobacteriaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO2544 Stemona saxorum Species Stemonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10082 Citrus unshiu Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20457 Spirastrella inconstans Species Spirastrellidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10980 Petasites japonicus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6008 Cacalia pilgeriana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22756 Epimedium versicolor Species Berberidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20522 Pyura sacciformis Species Pyuridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15478 Senna sophera Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6741 Metasequoia glyptostroboides Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18123 Dichapetalum madagascariense Species Dichapetalaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8433 Bongardia chrysogonum Species Berberidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2953 Ostericum grosseserratum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1988 Conocliniopsis prasiifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22887 Scutellaria violacea Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22499 Corydalis flabellata Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22113 Anthocercis genistoides Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5453.1 Euphorbia officinarum subsp. echinus Subspecies Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14802.1 Lonicera tatarica var. morrowii Varieties Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21032 Manilkara hexandra Species Sapotaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4682 Lindera aggregata Species Lauraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9772 Helvella esculenta Species Helvellaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20771 Thalictrum fortunei Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16185 Astilbe odontophylla Species Saxifragaceae 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
NPO12807 NPC24327 Raw Fruit 0.2 0.2 0.2 mg/100g Database [DUKE]
NPO25443 NPC24327 Raw Fruit 1 1 1 mg/100g Database [DUKE]
NPO29169 NPC24327 Other Plant 3.6 1.2 6 mg/100g Database [DUKE]
NPO19472 NPC24327 Other Plant 500.05 0.1 1000 mg/100g Database [DUKE]
NPO20414 NPC24327 Raw Plant 0.02 0.02 0.02 mg/100g Database [DUKE]

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

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency n.a. 4855.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 6859 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 NPC24327 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 NPC12870
0.9495 High Similarity NPC30416
0.9175 High Similarity NPC470161
0.9038 High Similarity NPC470723
0.8952 High Similarity NPC280760
0.8796 High Similarity NPC312105
0.8716 High Similarity NPC25648
0.8704 High Similarity NPC283169
0.8679 High Similarity NPC275627
0.866 High Similarity NPC321956
0.8654 High Similarity NPC233320
0.86 High Similarity NPC6597
0.86 High Similarity NPC79241
0.8557 High Similarity NPC71853
0.8544 High Similarity NPC241224
0.8529 High Similarity NPC300166
0.85 High Similarity NPC259512
0.85 High Similarity NPC312132
0.8454 Intermediate Similarity NPC259134
0.8454 Intermediate Similarity NPC177844
0.8454 Intermediate Similarity NPC99886
0.8454 Intermediate Similarity NPC8002
0.8431 Intermediate Similarity NPC72729
0.8426 Intermediate Similarity NPC228452
0.8426 Intermediate Similarity NPC98372
0.8416 Intermediate Similarity NPC95755
0.8407 Intermediate Similarity NPC322569
0.8396 Intermediate Similarity NPC75440
0.8381 Intermediate Similarity NPC326801
0.8365 Intermediate Similarity NPC475225
0.8365 Intermediate Similarity NPC292792
0.8349 Intermediate Similarity NPC165106
0.8333 Intermediate Similarity NPC33675
0.8333 Intermediate Similarity NPC299762
0.8304 Intermediate Similarity NPC63010
0.8304 Intermediate Similarity NPC190514
0.83 Intermediate Similarity NPC471581
0.8288 Intermediate Similarity NPC33900
0.8269 Intermediate Similarity NPC235762
0.8269 Intermediate Similarity NPC471228
0.8261 Intermediate Similarity NPC152946
0.8261 Intermediate Similarity NPC188997
0.8246 Intermediate Similarity NPC212559
0.8246 Intermediate Similarity NPC129176
0.8241 Intermediate Similarity NPC2682
0.8241 Intermediate Similarity NPC303521
0.8241 Intermediate Similarity NPC475852
0.823 Intermediate Similarity NPC471449
0.823 Intermediate Similarity NPC184302
0.823 Intermediate Similarity NPC98748
0.823 Intermediate Similarity NPC51341
0.8224 Intermediate Similarity NPC241549
0.8224 Intermediate Similarity NPC201959
0.8198 Intermediate Similarity NPC808
0.8198 Intermediate Similarity NPC475815
0.8198 Intermediate Similarity NPC47194
0.8198 Intermediate Similarity NPC473264
0.819 Intermediate Similarity NPC261992
0.8182 Intermediate Similarity NPC141003
0.8182 Intermediate Similarity NPC35344
0.8174 Intermediate Similarity NPC475839
0.8173 Intermediate Similarity NPC310905
0.8173 Intermediate Similarity NPC252105
0.8173 Intermediate Similarity NPC12714
0.8173 Intermediate Similarity NPC84325
0.8165 Intermediate Similarity NPC195873
0.8155 Intermediate Similarity NPC100870
0.8142 Intermediate Similarity NPC171023
0.8131 Intermediate Similarity NPC66834
0.8125 Intermediate Similarity NPC150624
0.8125 Intermediate Similarity NPC9341
0.8125 Intermediate Similarity NPC81067
0.812 Intermediate Similarity NPC75432
0.8108 Intermediate Similarity NPC470837
0.81 Intermediate Similarity NPC231150
0.8091 Intermediate Similarity NPC26615
0.8087 Intermediate Similarity NPC277798
0.8087 Intermediate Similarity NPC100108
0.8087 Intermediate Similarity NPC96423
0.8077 Intermediate Similarity NPC174911
0.8073 Intermediate Similarity NPC168657
0.8073 Intermediate Similarity NPC137685
0.8073 Intermediate Similarity NPC473809
0.8053 Intermediate Similarity NPC221549
0.8053 Intermediate Similarity NPC33270
0.8053 Intermediate Similarity NPC69261
0.8053 Intermediate Similarity NPC244816
0.8053 Intermediate Similarity NPC50521
0.8051 Intermediate Similarity NPC76119
0.8051 Intermediate Similarity NPC4286
0.8051 Intermediate Similarity NPC170749
0.8037 Intermediate Similarity NPC113457
0.8019 Intermediate Similarity NPC108875
0.8019 Intermediate Similarity NPC12987
0.8019 Intermediate Similarity NPC474603
0.8019 Intermediate Similarity NPC38079
0.8018 Intermediate Similarity NPC190212
0.8017 Intermediate Similarity NPC168707
0.8017 Intermediate Similarity NPC48623
0.8017 Intermediate Similarity NPC14287
0.8 Intermediate Similarity NPC103916
0.7982 Intermediate Similarity NPC329980
0.7982 Intermediate Similarity NPC474040
0.7982 Intermediate Similarity NPC283616
0.7981 Intermediate Similarity NPC471576
0.7963 Intermediate Similarity NPC186469
0.7963 Intermediate Similarity NPC258171
0.7963 Intermediate Similarity NPC35543
0.7949 Intermediate Similarity NPC476332
0.7949 Intermediate Similarity NPC18128
0.7949 Intermediate Similarity NPC473464
0.7949 Intermediate Similarity NPC77789
0.7946 Intermediate Similarity NPC22610
0.7946 Intermediate Similarity NPC276737
0.7944 Intermediate Similarity NPC473855
0.7944 Intermediate Similarity NPC227255
0.7944 Intermediate Similarity NPC117115
0.7944 Intermediate Similarity NPC288760
0.7944 Intermediate Similarity NPC47284
0.7944 Intermediate Similarity NPC470393
0.7944 Intermediate Similarity NPC475269
0.7941 Intermediate Similarity NPC152415
0.7941 Intermediate Similarity NPC245187
0.7931 Intermediate Similarity NPC218753
0.7931 Intermediate Similarity NPC45663
0.7928 Intermediate Similarity NPC474920
0.7928 Intermediate Similarity NPC199462
0.7925 Intermediate Similarity NPC298224
0.7913 Intermediate Similarity NPC310338
0.7913 Intermediate Similarity NPC281298
0.7899 Intermediate Similarity NPC105031
0.7899 Intermediate Similarity NPC470726
0.7895 Intermediate Similarity NPC238176
0.7895 Intermediate Similarity NPC187993
0.789 Intermediate Similarity NPC64586
0.789 Intermediate Similarity NPC245115
0.7885 Intermediate Similarity NPC175298
0.7885 Intermediate Similarity NPC77492
0.7881 Intermediate Similarity NPC96940
0.7876 Intermediate Similarity NPC232165
0.7876 Intermediate Similarity NPC167934
0.7876 Intermediate Similarity NPC473718
0.7876 Intermediate Similarity NPC53906
0.787 Intermediate Similarity NPC21594
0.787 Intermediate Similarity NPC310456
0.787 Intermediate Similarity NPC53740
0.7857 Intermediate Similarity NPC109241
0.7857 Intermediate Similarity NPC204120
0.785 Intermediate Similarity NPC130817
0.785 Intermediate Similarity NPC38209
0.7845 Intermediate Similarity NPC474131
0.7845 Intermediate Similarity NPC242885
0.7845 Intermediate Similarity NPC56214
0.7845 Intermediate Similarity NPC117780
0.7845 Intermediate Similarity NPC344161
0.7845 Intermediate Similarity NPC95614
0.7845 Intermediate Similarity NPC227217
0.7845 Intermediate Similarity NPC165133
0.7845 Intermediate Similarity NPC232316
0.7845 Intermediate Similarity NPC328485
0.7843 Intermediate Similarity NPC3358
0.7843 Intermediate Similarity NPC306884
0.7843 Intermediate Similarity NPC162314
0.7843 Intermediate Similarity NPC94139
0.7843 Intermediate Similarity NPC210497
0.7843 Intermediate Similarity NPC147284
0.7843 Intermediate Similarity NPC55903
0.7838 Intermediate Similarity NPC173746
0.7838 Intermediate Similarity NPC156840
0.7838 Intermediate Similarity NPC8547
0.7838 Intermediate Similarity NPC54373
0.7838 Intermediate Similarity NPC21890
0.7838 Intermediate Similarity NPC257124
0.7833 Intermediate Similarity NPC470724
0.7833 Intermediate Similarity NPC245060
0.7833 Intermediate Similarity NPC474737
0.7833 Intermediate Similarity NPC329272
0.783 Intermediate Similarity NPC51633
0.783 Intermediate Similarity NPC477685
0.7826 Intermediate Similarity NPC474612
0.7822 Intermediate Similarity NPC192
0.7818 Intermediate Similarity NPC58865
0.7818 Intermediate Similarity NPC474272
0.7818 Intermediate Similarity NPC82016
0.7815 Intermediate Similarity NPC248557
0.7815 Intermediate Similarity NPC61685
0.7815 Intermediate Similarity NPC56332
0.7807 Intermediate Similarity NPC69539
0.7807 Intermediate Similarity NPC141090
0.78 Intermediate Similarity NPC27974
0.7798 Intermediate Similarity NPC194034
0.7798 Intermediate Similarity NPC151477
0.7798 Intermediate Similarity NPC227894
0.7797 Intermediate Similarity NPC30462
0.7789 Intermediate Similarity NPC124576
0.7788 Intermediate Similarity NPC87563
0.7788 Intermediate Similarity NPC41851
0.7778 Intermediate Similarity NPC102639
0.7769 Intermediate Similarity NPC473221
0.7769 Intermediate Similarity NPC186889

  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 NPC24327 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
0.85 High Similarity NPD288 Approved
0.84 Intermediate Similarity NPD844 Approved
0.8393 Intermediate Similarity NPD5691 Approved
0.8349 Intermediate Similarity NPD5283 Phase 1
0.8319 Intermediate Similarity NPD4626 Approved
0.8165 Intermediate Similarity NPD1139 Approved
0.8165 Intermediate Similarity NPD1137 Approved
0.8091 Intermediate Similarity NPD1138 Approved
0.807 Intermediate Similarity NPD1651 Approved
0.8036 Intermediate Similarity NPD6671 Approved
0.789 Intermediate Similarity NPD2684 Approved
0.7881 Intermediate Similarity NPD4749 Approved
0.7881 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7876 Intermediate Similarity NPD709 Approved
0.7863 Intermediate Similarity NPD1611 Approved
0.7863 Intermediate Similarity NPD1281 Approved
0.7845 Intermediate Similarity NPD1778 Approved
0.7843 Intermediate Similarity NPD845 Approved
0.7838 Intermediate Similarity NPD228 Approved
0.7833 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD5451 Approved
0.7798 Intermediate Similarity NPD290 Approved
0.7797 Intermediate Similarity NPD2233 Approved
0.7797 Intermediate Similarity NPD2232 Approved
0.7797 Intermediate Similarity NPD2230 Approved
0.7769 Intermediate Similarity NPD2237 Approved
0.7759 Intermediate Similarity NPD3443 Approved
0.7759 Intermediate Similarity NPD3444 Approved
0.7759 Intermediate Similarity NPD3445 Approved
0.7736 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7731 Intermediate Similarity NPD5327 Phase 3
0.7719 Intermediate Similarity NPD6387 Discontinued
0.7719 Intermediate Similarity NPD7157 Approved
0.7719 Intermediate Similarity NPD2557 Approved
0.7706 Intermediate Similarity NPD3134 Approved
0.7667 Intermediate Similarity NPD1283 Approved
0.7658 Intermediate Similarity NPD4750 Phase 3
0.7632 Intermediate Similarity NPD593 Approved
0.7632 Intermediate Similarity NPD595 Approved
0.7627 Intermediate Similarity NPD3496 Discontinued
0.7623 Intermediate Similarity NPD1712 Approved
0.7611 Intermediate Similarity NPD7843 Approved
0.7607 Intermediate Similarity NPD5585 Approved
0.7596 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7581 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD1398 Phase 1
0.7544 Intermediate Similarity NPD592 Approved
0.7544 Intermediate Similarity NPD594 Approved
0.7542 Intermediate Similarity NPD2667 Approved
0.7542 Intermediate Similarity NPD2668 Approved
0.7542 Intermediate Similarity NPD17 Approved
0.7541 Intermediate Similarity NPD4624 Approved
0.7521 Intermediate Similarity NPD6696 Suspended
0.75 Intermediate Similarity NPD7340 Approved
0.75 Intermediate Similarity NPD4625 Phase 3
0.748 Intermediate Similarity NPD2861 Phase 2
0.748 Intermediate Similarity NPD4097 Suspended
0.7477 Intermediate Similarity NPD1358 Approved
0.7477 Intermediate Similarity NPD3020 Approved
0.7458 Intermediate Similarity NPD3049 Approved
0.7456 Intermediate Similarity NPD821 Approved
0.7456 Intermediate Similarity NPD5535 Approved
0.7456 Intermediate Similarity NPD7635 Approved
0.7455 Intermediate Similarity NPD9697 Approved
0.744 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD1669 Approved
0.7436 Intermediate Similarity NPD7644 Approved
0.7417 Intermediate Similarity NPD1610 Phase 2
0.7387 Intermediate Similarity NPD968 Approved
0.7387 Intermediate Similarity NPD1445 Approved
0.7387 Intermediate Similarity NPD1444 Approved
0.7358 Intermediate Similarity NPD1809 Phase 2
0.7355 Intermediate Similarity NPD3972 Approved
0.7355 Intermediate Similarity NPD1608 Approved
0.735 Intermediate Similarity NPD3596 Phase 2
0.7323 Intermediate Similarity NPD2979 Phase 3
0.7323 Intermediate Similarity NPD4060 Phase 1
0.7321 Intermediate Similarity NPD2342 Discontinued
0.7295 Intermediate Similarity NPD4359 Approved
0.7288 Intermediate Similarity NPD5536 Phase 2
0.728 Intermediate Similarity NPD4908 Phase 1
0.7273 Intermediate Similarity NPD3705 Approved
0.7258 Intermediate Similarity NPD2798 Approved
0.7258 Intermediate Similarity NPD7905 Discontinued
0.725 Intermediate Similarity NPD2554 Approved
0.725 Intermediate Similarity NPD2556 Approved
0.7241 Intermediate Similarity NPD495 Approved
0.7241 Intermediate Similarity NPD496 Approved
0.7241 Intermediate Similarity NPD498 Approved
0.7241 Intermediate Similarity NPD1241 Discontinued
0.7236 Intermediate Similarity NPD2922 Phase 1
0.7227 Intermediate Similarity NPD2486 Discontinued
0.7227 Intermediate Similarity NPD6580 Approved
0.7227 Intermediate Similarity NPD6581 Approved
0.7222 Intermediate Similarity NPD1024 Discontinued
0.7213 Intermediate Similarity NPD2235 Phase 2
0.7213 Intermediate Similarity NPD2231 Phase 2
0.7209 Intermediate Similarity NPD2157 Approved
0.7197 Intermediate Similarity NPD1391 Approved
0.7196 Intermediate Similarity NPD2859 Approved
0.7196 Intermediate Similarity NPD2860 Approved
0.7193 Intermediate Similarity NPD3022 Approved
0.7193 Intermediate Similarity NPD1792 Phase 2
0.7193 Intermediate Similarity NPD3021 Approved
0.7188 Intermediate Similarity NPD3109 Approved
0.7188 Intermediate Similarity NPD4140 Approved
0.7188 Intermediate Similarity NPD2238 Phase 2
0.7188 Intermediate Similarity NPD3110 Approved
0.7182 Intermediate Similarity NPD846 Approved
0.7182 Intermediate Similarity NPD940 Approved
0.7179 Intermediate Similarity NPD497 Approved
0.7177 Intermediate Similarity NPD2797 Approved
0.7167 Intermediate Similarity NPD1357 Approved
0.7167 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD1039 Discontinued
0.7165 Intermediate Similarity NPD5109 Approved
0.7165 Intermediate Similarity NPD5111 Phase 2
0.7165 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD5110 Phase 2
0.7143 Intermediate Similarity NPD600 Approved
0.7143 Intermediate Similarity NPD596 Approved
0.7132 Intermediate Similarity NPD5735 Approved
0.7121 Intermediate Similarity NPD5763 Approved
0.7121 Intermediate Similarity NPD5762 Approved
0.712 Intermediate Similarity NPD3690 Phase 2
0.712 Intermediate Similarity NPD6584 Phase 3
0.712 Intermediate Similarity NPD3691 Phase 2
0.7115 Intermediate Similarity NPD9295 Approved
0.7109 Intermediate Similarity NPD8032 Phase 2
0.7109 Intermediate Similarity NPD4474 Approved
0.7109 Intermediate Similarity NPD4475 Approved
0.7107 Intermediate Similarity NPD2107 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD2933 Approved
0.7103 Intermediate Similarity NPD2934 Approved
0.7099 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD8651 Approved
0.7097 Intermediate Similarity NPD1876 Approved
0.7083 Intermediate Similarity NPD1548 Phase 1
0.7083 Intermediate Similarity NPD1182 Approved
0.7077 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD6353 Approved
0.7073 Intermediate Similarity NPD1840 Phase 2
0.7063 Intermediate Similarity NPD3018 Phase 2
0.7059 Intermediate Similarity NPD111 Approved
0.7054 Intermediate Similarity NPD3620 Phase 2
0.7054 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD3294 Phase 2
0.7049 Intermediate Similarity NPD3847 Discontinued
0.7045 Intermediate Similarity NPD6099 Approved
0.7045 Intermediate Similarity NPD2531 Phase 2
0.7045 Intermediate Similarity NPD2438 Suspended
0.7045 Intermediate Similarity NPD6100 Approved
0.704 Intermediate Similarity NPD4098 Discontinued
0.704 Intermediate Similarity NPD3267 Approved
0.704 Intermediate Similarity NPD3266 Approved
0.7031 Intermediate Similarity NPD1336 Approved
0.7016 Intermediate Similarity NPD1420 Approved
0.7016 Intermediate Similarity NPD1421 Approved
0.7016 Intermediate Similarity NPD3685 Discontinued
0.7016 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3657 Discovery
0.7 Intermediate Similarity NPD6355 Discontinued
0.6992 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6981 Remote Similarity NPD9365 Approved
0.6977 Remote Similarity NPD7265 Discontinued
0.6977 Remote Similarity NPD840 Approved
0.6977 Remote Similarity NPD4870 Approved
0.6977 Remote Similarity NPD839 Approved
0.6977 Remote Similarity NPD3163 Approved
0.6977 Remote Similarity NPD3162 Approved
0.6967 Remote Similarity NPD5846 Approved
0.6967 Remote Similarity NPD6516 Phase 2
0.6967 Remote Similarity NPD2423 Clinical (unspecified phase)
0.696 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6953 Remote Similarity NPD7095 Approved
0.6953 Remote Similarity NPD3027 Phase 3
0.6942 Remote Similarity NPD3091 Approved
0.6935 Remote Similarity NPD2981 Phase 2
0.6935 Remote Similarity NPD1244 Clinical (unspecified phase)
0.6917 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6905 Remote Similarity NPD1770 Clinical (unspecified phase)
0.6905 Remote Similarity NPD987 Approved
0.6905 Remote Similarity NPD1794 Approved
0.6899 Remote Similarity NPD3268 Approved
0.6894 Remote Similarity NPD6895 Approved
0.6894 Remote Similarity NPD6896 Approved
0.688 Remote Similarity NPD2982 Phase 2
0.688 Remote Similarity NPD6543 Approved
0.688 Remote Similarity NPD6540 Phase 3
0.688 Remote Similarity NPD6539 Approved
0.688 Remote Similarity NPD4379 Clinical (unspecified phase)
0.688 Remote Similarity NPD6582 Phase 2
0.688 Remote Similarity NPD6583 Phase 3
0.688 Remote Similarity NPD2983 Phase 2
0.688 Remote Similarity NPD6542 Approved
0.6875 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6875 Remote Similarity NPD1529 Clinical (unspecified phase)
0.687 Remote Similarity NPD4618 Approved

  Bioactivity similarity: Similar Natural Products in NPASS

Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.

Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

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