Structure

Physi-Chem Properties

Molecular Weight:  294.26
Volume:  346.851
LogP:  5.022
LogD:  4.395
LogS:  -3.643
# Rotatable Bonds:  15
TPSA:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  2

MedChem Properties

QED Drug-Likeness Score:  0.224
Synthetic Accessibility Score:  2.313
Fsp3:  0.737
Lipinski Rule-of-5:  Accepted
Pfizer Rule:  Rejected
GSK Rule:  Rejected
BMS Rule:  0
Golden Triangle Rule:  Accepted
Chelating Alert:  0
PAINS Alert:  0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:  -4.858
MDCK Permeability:  4.7920042561599985e-05
Pgp-inhibitor:  0.001
Pgp-substrate:  0.0
Human Intestinal Absorption (HIA):  0.059
20% Bioavailability (F20%):  0.998
30% Bioavailability (F30%):  1.0

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):  0.908
Plasma Protein Binding (PPB):  97.87530517578125%
Volume Distribution (VD):  2.86
Pgp-substrate:  1.6753041744232178%

ADMET: Metabolism

CYP1A2-inhibitor:  0.648
CYP1A2-substrate:  0.621
CYP2C19-inhibitor:  0.518
CYP2C19-substrate:  0.182
CYP2C9-inhibitor:  0.423
CYP2C9-substrate:  0.951
CYP2D6-inhibitor:  0.603
CYP2D6-substrate:  0.87
CYP3A4-inhibitor:  0.803
CYP3A4-substrate:  0.121

ADMET: Excretion

Clearance (CL):  5.396
Half-life (T1/2):  0.913

ADMET: Toxicity

hERG Blockers:  0.167
Human Hepatotoxicity (H-HT):  0.176
Drug-inuced Liver Injury (DILI):  0.037
AMES Toxicity:  0.225
Rat Oral Acute Toxicity:  0.036
Maximum Recommended Daily Dose:  0.117
Skin Sensitization:  0.961
Carcinogencity:  0.352
Eye Corrosion:  0.426
Eye Irritation:  0.474
Respiratory Toxicity:  0.775

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

  Natural Product: NPC39633

Natural Product ID:  NPC39633
Common Name*:   Methyl (9Z,12Z)-Octadeca-9,12-Dienoate
IUPAC Name:   methyl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms:  
Standard InCHIKey:  WTTJVINHCBCLGX-NQLNTKRDSA-N
Standard InCHI:  InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
SMILES:  CCCCC/C=CC/C=CCCCCCCCC(=O)OC
Synthetic Gene Cluster:   n.a.
ChEMBL Identifier:   CHEMBL3183866
PubChem CID:   5284421
Chemical Classification**:  
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000012] Lipids and lipid-like molecules
      • [CHEMONTID:0003909] Fatty Acyls
        • [CHEMONTID:0000504] Lineolic acids and derivatives

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

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO25114 Linum usitatissimum Species Linaceae Eukaryota Seeds n.a. DOI[10.1002/ejlt.201100207]
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota n.a. root n.a. DOI[10.1007/s11418-007-0221-0]
NPO25114 Linum usitatissimum Species Linaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11746-997-0093-1]
NPO27288 Citrus maxima Species Rutaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/S0031-9422(99)00119-3]
NPO15351 Streptomyces prunicolor Species Streptomycetaceae Bacteria n.a. mycelium n.a. DOI[10.1021/np50098a008]
NPO25114 Linum usitatissimum Species Linaceae Eukaryota Seeds n.a. DOI[10.5219/332]
NPO1394 Penicillium sclerotigenum Species Aspergillaceae Eukaryota sclerotia n.a. n.a. PMID[10217735]
NPO4331 Plakortis lita Species Plakinidae Eukaryota n.a. Palauan n.a. PMID[10479343]
NPO4331 Plakortis lita Species Plakinidae Eukaryota n.a. Okinawan n.a. PMID[11277756]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. root n.a. PMID[11374978]
NPO6541 Scrophularia buergeriana Species Scrophulariaceae Eukaryota roots n.a. n.a. PMID[12444706]
NPO11421 Arnebia euchroma Species Boraginaceae Eukaryota n.a. n.a. n.a. PMID[12502328]
NPO25825 Saussurea lappa Species Asteraceae Eukaryota Roots n.a. n.a. PMID[14510592]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. PMID[14600382]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[15679317]
NPO3578 Andrographis paniculata Species Acanthaceae Eukaryota n.a. leaf n.a. PMID[15894448]
NPO3578 Andrographis paniculata Species Acanthaceae Eukaryota n.a. root n.a. PMID[15894448]
NPO3578 Andrographis paniculata Species Acanthaceae Eukaryota aerial parts purchased in Juhuacun herbal market, Kunming, Yunnan Province, China 2002-Oct PMID[16562826]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota roots purchased from Kiu Shun Trading Ltd., Vancouver, Canada 2000 PMID[16643021]
NPO25126 Sarcophyton latum Species Orchidaceae Eukaryota n.a. n.a. n.a. PMID[16724849]
NPO25126 Sarcophyton latum Species Orchidaceae Eukaryota n.a. Hainan soft coral n.a. PMID[16724849]
NPO25660 Gypsophila oldhamiana Species Caryophyllaceae Eukaryota n.a. root n.a. PMID[16880670]
NPO27260 Polygala tenuifolia Species Polygalaceae Eukaryota roots n.a. n.a. PMID[16989524]
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota n.a. n.a. n.a. PMID[17157006]
NPO25660 Gypsophila oldhamiana Species Caryophyllaceae Eukaryota n.a. root n.a. PMID[17409564]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. root n.a. PMID[17997069]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota rhizomes n.a. n.a. PMID[18177011]
NPO25660 Gypsophila oldhamiana Species Caryophyllaceae Eukaryota roots n.a. n.a. PMID[18194870]
NPO3578 Andrographis paniculata Species Acanthaceae Eukaryota n.a. n.a. n.a. PMID[18357994]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. leaf n.a. PMID[18409045]
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota n.a. n.a. n.a. PMID[19217780]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[19271742]
NPO29141 Panax ginseng Species Araliaceae Eukaryota flower buds n.a. n.a. PMID[19926279]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[20590154]
NPO28265 Morus alba Species Moraceae Eukaryota n.a. n.a. n.a. PMID[20815207]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. root n.a. PMID[2092947]
NPO28542 Streptocarpus dunnii Species Gesneriaceae Eukaryota n.a. n.a. n.a. PMID[21174407]
NPO29141 Panax ginseng Species Araliaceae Eukaryota berry n.a. n.a. PMID[21216145]
NPO28265 Morus alba Species Moraceae Eukaryota n.a. root n.a. PMID[21319773]
NPO28265 Morus alba Species Moraceae Eukaryota n.a. bark n.a. PMID[21319773]
NPO28265 Morus alba Species Moraceae Eukaryota n.a. leaf n.a. PMID[21319773]
NPO3578 Andrographis paniculata Species Acanthaceae Eukaryota n.a. leaf n.a. PMID[21598983]
NPO3578 Andrographis paniculata Species Acanthaceae Eukaryota n.a. leaf n.a. PMID[22026410]
NPO23270 Neolitsea daibuensis Species Lauraceae Eukaryota n.a. root n.a. PMID[22148193]
NPO28265 Morus alba Species Moraceae Eukaryota n.a. leaf n.a. PMID[22207282]
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota n.a. n.a. n.a. PMID[22281186]
NPO28542 Streptocarpus dunnii Species Gesneriaceae Eukaryota n.a. n.a. n.a. PMID[22472691]
NPO25114 Linum usitatissimum Species Linaceae Eukaryota n.a. n.a. n.a. PMID[22537213]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota Fruits n.a. n.a. PMID[22703163]
NPO27260 Polygala tenuifolia Species Polygalaceae Eukaryota n.a. rhizome n.a. PMID[22863942]
NPO28265 Morus alba Species Moraceae Eukaryota n.a. root n.a. PMID[23806866]
NPO27260 Polygala tenuifolia Species Polygalaceae Eukaryota aerial parts n.a. n.a. PMID[24042007]
NPO29141 Panax ginseng Species Araliaceae Eukaryota leaves n.a. n.a. PMID[24290061]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota Fruits n.a. n.a. PMID[24328283]
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]
NPO25114 Linum usitatissimum Species Linaceae Eukaryota n.a. n.a. n.a. PMID[24417583]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. aerial part n.a. PMID[24704554]
NPO28265 Morus alba Species Moraceae Eukaryota n.a. Konya, Turkey 2007-APR PMID[24901948]
NPO28265 Morus alba Species Moraceae Eukaryota root bark University of Veterinary and Pharmaceutical Sciences Brno (UVPS Brno), Brno, Czech Republic 2011-APR PMID[24901948]
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]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[25538068]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota Twigs n.a. n.a. PMID[25894905]
NPO28265 Morus alba Species Moraceae Eukaryota leaves Chungbuk, Korea n.a. PMID[25935644]
NPO28265 Morus alba Species Moraceae Eukaryota n.a. root n.a. PMID[25981820]
NPO11898 Lobophora variegata Species Dictyotaceae Eukaryota n.a. at depths of 630 m at El Mdano (Tenerife, Canary Islands) n.a. PMID[26126835]
NPO29141 Panax ginseng Species Araliaceae Eukaryota stems-leaves n.a. n.a. PMID[26420067]
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[26521454]
NPO5247 Elaphoglossum lindbergii Species Dryopteridaceae Eukaryota n.a. n.a. n.a. PMID[26689830]
NPO25114 Linum usitatissimum Species Linaceae Eukaryota Seeds n.a. n.a. PMID[26923696]
NPO8247 Austrobaileya scandens Species Austrobaileyaceae Eukaryota n.a. n.a. n.a. PMID[27214307]
NPO28265 Morus alba Species Moraceae Eukaryota n.a. latex n.a. PMID[27294120]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[27400088]
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota n.a. n.a. n.a. PMID[27588326]
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]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota Twigs n.a. n.a. PMID[28358502]
NPO2861 Pentaceraster regulus Species n.a. n.a. n.a. n.a. n.a. PMID[28981263]
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota n.a. n.a. n.a. PMID[29099182]
NPO12182 Murraya exotica Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[29303577]
NPO28265 Morus alba Species Moraceae Eukaryota Root barks n.a. n.a. PMID[3097265]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. PMID[32129622]
NPO26277 Euphorbia hirta Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[32141299]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[32935986]
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota n.a. n.a. n.a. PMID[3373224]
NPO25825 Saussurea lappa Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[3572418]
NPO11421 Arnebia euchroma Species Boraginaceae Eukaryota n.a. n.a. n.a. PMID[7775984]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. rhizome n.a. PMID[8064299]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[8064299]
NPO3578 Andrographis paniculata Species Acanthaceae Eukaryota n.a. n.a. n.a. PMID[8377022]
NPO13981 Helianthella quinquenervis Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[8882437]
NPO4331 Plakortis lita Species Plakinidae Eukaryota n.a. n.a. n.a. PMID[9722494]
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota n.a. n.a. n.a. Database[Article]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. Database[FooDB]
NPO25114 Linum usitatissimum Species Linaceae Eukaryota n.a. n.a. Database[FooDB]
NPO25114 Linum usitatissimum Species Linaceae Eukaryota n.a. n.a. Database[FooDB]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. Database[FooDB]
NPO13274 Illicium verum Species Schisandraceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO13274 Illicium verum Species Schisandraceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota Resin, Exudate, Sap n.a. n.a. Database[FooDB]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota Rhizome n.a. n.a. Database[FooDB]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO13274 Illicium verum Species Schisandraceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO25114 Linum usitatissimum Species Linaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO25114 Linum usitatissimum Species Linaceae Eukaryota Seed Oil n.a. n.a. Database[FooDB]
NPO27288 Citrus maxima Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO13274 Illicium verum Species Schisandraceae Eukaryota n.a. n.a. Database[FooDB]
NPO13274 Illicium verum Species Schisandraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22033 Cnidium officinale Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO21824 Lycopus lucidus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO12853 Leucocarpus perfoliatus Species Phrymaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO10530 Aconitum subcuneatum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22500 Stephania dielsiana Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO569 Micromelum integerrimum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO27260 Polygala tenuifolia Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO21600 Aconitum variegatum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO6541 Scrophularia buergeriana Species Scrophulariaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16741 Codonopsis pilosula Species Campanulaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO21485 Polygala sibirica Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11421 Arnebia euchroma Species Boraginaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO3578 Andrographis paniculata Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26277 Euphorbia hirta Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9266 Stephania delavayi Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO28265 Morus alba Species Moraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO20297 Arnebia guttata Species Boraginaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25114 Linum usitatissimum Species Linaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO12633 Rapanea neurophylla Species Primulaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO31073 Ligusticum chuanxiong Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. Database[MetaboLights]
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota n.a. pericarp n.a. PMID[p25172756]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO27288 Citrus maxima Species Rutaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO27661 Radix codonopsis pilosulae Species Lymnaeidae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26277 Euphorbia hirta Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11327 Lactarius necator Species Russulaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3578 Andrographis paniculata Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28265 Morus alba Species Moraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22033 Cnidium officinale Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO27260 Polygala tenuifolia Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29399 Microdochium nivale Species Microdochiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12182 Murraya exotica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21824 Lycopus lucidus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25214 Uvaria narum Species Annonaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3465 Aconitum leucostomum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25114 Linum usitatissimum Species Linaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21600 Aconitum variegatum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO10530 Aconitum subcuneatum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO6541 Scrophularia buergeriana Species Scrophulariaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25825 Saussurea lappa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16741 Codonopsis pilosula Species Campanulaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12633 Rapanea neurophylla Species Primulaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11206 Trifolium hybridum Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9266 Stephania delavayi Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5844 Schlumbergera truncata Species Cactaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO20297 Arnebia guttata Species Boraginaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13274 Illicium verum Species Schisandraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO569 Micromelum integerrimum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12853 Leucocarpus perfoliatus Species Phrymaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2715 Murraya paniculata 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]
NPO11421 Arnebia euchroma Species Boraginaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO27288 Citrus maxima Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22500 Stephania dielsiana Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21485 Polygala sibirica Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19649 Akebia quinata Species Lardizabalaceae 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]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO6541 Scrophularia buergeriana Species Scrophulariaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO28265 Morus alba Species Moraceae 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]
NPO20297 Arnebia guttata Species Boraginaceae 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]
NPO10530 Aconitum subcuneatum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO9266 Stephania delavayi Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO13274 Illicium verum Species Schisandraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO21824 Lycopus lucidus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO31286 Dolichos lablab Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO3578 Andrographis paniculata Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO27260 Polygala tenuifolia Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO11421 Arnebia euchroma Species Boraginaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO21600 Aconitum variegatum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO21485 Polygala sibirica Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO569 Micromelum integerrimum Species Rutaceae 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]
NPO3465 Aconitum leucostomum Species Ranunculaceae 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]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO16741 Codonopsis pilosula Species Campanulaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO16741 Codonopsis pilosula Species Campanulaceae 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]
NPO2943 Sraitia grosvenorii n.a. n.a. n.a. n.a. n.a. n.a. Database[TM-MC]
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO27288 Citrus maxima Species Rutaceae 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]
NPO21485 Polygala sibirica Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO6541 Scrophularia buergeriana Species Scrophulariaceae 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]
NPO20297 Arnebia guttata Species Boraginaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO26277 Euphorbia hirta Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO11421 Arnebia euchroma Species Boraginaceae 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]
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO25825 Saussurea lappa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO25660 Gypsophila oldhamiana Species Caryophyllaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO13274 Illicium verum Species Schisandraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO3578 Andrographis paniculata Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO28265 Morus alba Species Moraceae 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]
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO27260 Polygala tenuifolia Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO21824 Lycopus lucidus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO25114 Linum usitatissimum Species Linaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO21534 Ostrya carpinifolia Species Betulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO569 Micromelum integerrimum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6541 Scrophularia buergeriana Species Scrophulariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25660 Gypsophila oldhamiana Species Caryophyllaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8243 Euphorbia supina Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22500 Stephania dielsiana Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11327 Lactarius necator Species Russulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25214 Uvaria narum Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1116 Periconia atropurpurea Species Periconiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29141 Panax ginseng Species Araliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21600 Aconitum variegatum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2207 Sphaerella rubella n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO13724 Garcinia celebica Species Clusiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11527 Ibacus peronii Species Scyllaridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5844 Schlumbergera truncata Species Cactaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5247 Elaphoglossum lindbergii Species Dryopteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11421 Arnebia euchroma Species Boraginaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28891 Trichocline reptans Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25554 Yucca filifera Species Asparagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4331 Plakortis lita Species Plakinidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25126 Sarcophyton latum Species Orchidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6791 Malva rotundifolia Species Malvaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO345 Quercus laurifolia Species Fagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2040 Inocybe patouillardii Species Inocybaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21824 Lycopus lucidus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15351 Streptomyces prunicolor Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11206 Trifolium hybridum Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3331 Hedysarum sachalinense Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1044 Caiman crocodilus Species Alligatoridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23270 Neolitsea daibuensis Species Lauraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6053 Veronica intercedens Species Plantaginaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9215 Papaver glaucum Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9266 Stephania delavayi Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12853 Leucocarpus perfoliatus Species Phrymaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23479 Elaeodendron buchananii Species Celastraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27260 Polygala tenuifolia Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6305 Euphorbia jaxartica Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10530 Aconitum subcuneatum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12633 Rapanea neurophylla Species Primulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2996 Pistacia atlantica Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16741 Codonopsis pilosula Species Campanulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25247 Dendrobium tosaense Species Orchidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11898 Lobophora variegata Species Dictyotaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1462 Amomum sulcatum Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10139 Sarcomelicope follicularis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27884 Sphacelaria arctica Species Sphacelariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25581 Coelospermum paniculatum Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7560 Tachardia acaciae n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO23374 Cortinarius bulbiger Species Cortinariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4888 Salvia divaricata Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5582 Inocybe aeruginascens Species Inocybaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9606 Castanea dentata Species Fagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28265 Morus alba Species Moraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28077 Phytophthora cactorum Species n.a. Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9363 Ferula ammoniacum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13981 Helianthella quinquenervis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26277 Euphorbia hirta Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24350 Hammarbya paludosa Species Orchidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25825 Saussurea lappa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3465 Aconitum leucostomum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11438 Angelica gigas Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20655 Virola pavonis Species Myristicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1394 Penicillium sclerotigenum Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20584 Cheilanthes fragrans Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO134 Cassia artemisioides Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12182 Murraya exotica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12146 Stemodia maritima Species Plantaginaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29399 Microdochium nivale Species Microdochiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27288 Citrus maxima Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO772 Bosistoa floydii Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2861 Pentaceraster regulus Species n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO8247 Austrobaileya scandens Species Austrobaileyaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13274 Illicium verum Species Schisandraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10785 Hypotrachyna neodamaziana Species Parmeliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21344 Fadogia agrestis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23613 Hypselodoris capensis Species Chromodorididae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23883 Penicillium abidjanum Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5714 Rogeria adenophylla Species Pedaliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25114 Linum usitatissimum Species Linaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3471 Suillellus luridus Species Boletaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20297 Arnebia guttata Species Boraginaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28542 Streptocarpus dunnii Species Gesneriaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21485 Polygala sibirica Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7401 Centaurea dealbata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3578 Andrographis paniculata Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7167 Hosta undulata Species Asparagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]

☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

  NP Quantity Composition/Concentration

Organism ID NP ID Organism Material Preparation Organism Part NP Quantity (Standard) NP Quantity (Minimum) NP Quantity (Maximum) Quantity Unit Reference

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

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency n.a. 48972.2 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency n.a. 68589.6 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency n.a. 21875.1 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency n.a. 43646.5 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency n.a. 54947.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 43646.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 24544.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 48972.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 3814 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 54947.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 61652.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 38900 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 27539.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 30637.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 24064.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 15486.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 60996.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 8538.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 3848.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 21689.9 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency n.a. 43646.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 34669.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 17376 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 27306 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 NPC39633 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 NPC309606
1.0 High Similarity NPC139545
0.9608 High Similarity NPC128061
0.9608 High Similarity NPC228473
0.9608 High Similarity NPC200845
0.9608 High Similarity NPC223677
0.9608 High Similarity NPC28779
0.9608 High Similarity NPC10316
0.9592 High Similarity NPC262968
0.9388 High Similarity NPC224227
0.9216 High Similarity NPC71761
0.9038 High Similarity NPC424
0.9038 High Similarity NPC281972
0.9038 High Similarity NPC85813
0.9038 High Similarity NPC154245
0.9038 High Similarity NPC87564
0.9038 High Similarity NPC25417
0.9038 High Similarity NPC261831
0.9038 High Similarity NPC88966
0.9038 High Similarity NPC32467
0.9038 High Similarity NPC290563
0.9038 High Similarity NPC6095
0.898 High Similarity NPC216130
0.8846 High Similarity NPC1813
0.8846 High Similarity NPC139029
0.8846 High Similarity NPC70387
0.8846 High Similarity NPC321062
0.8846 High Similarity NPC36061
0.8846 High Similarity NPC294548
0.875 High Similarity NPC229252
0.875 High Similarity NPC143857
0.8704 High Similarity NPC18951
0.8704 High Similarity NPC477201
0.8654 High Similarity NPC92114
0.8654 High Similarity NPC161366
0.8654 High Similarity NPC281245
0.8596 High Similarity NPC201939
0.8448 Intermediate Similarity NPC54925
0.8431 Intermediate Similarity NPC207815
0.8421 Intermediate Similarity NPC243532
0.8364 Intermediate Similarity NPC187777
0.8364 Intermediate Similarity NPC179764
0.8305 Intermediate Similarity NPC68343
0.8305 Intermediate Similarity NPC328089
0.8269 Intermediate Similarity NPC59051
0.8246 Intermediate Similarity NPC274927
0.8246 Intermediate Similarity NPC106851
0.8214 Intermediate Similarity NPC225929
0.8182 Intermediate Similarity NPC54766
0.8182 Intermediate Similarity NPC274290
0.8182 Intermediate Similarity NPC473863
0.8077 Intermediate Similarity NPC163345
0.8077 Intermediate Similarity NPC5413
0.8077 Intermediate Similarity NPC149821
0.7966 Intermediate Similarity NPC328776
0.7966 Intermediate Similarity NPC320305
0.7963 Intermediate Similarity NPC310746
0.7903 Intermediate Similarity NPC148192
0.7903 Intermediate Similarity NPC127091
0.7903 Intermediate Similarity NPC475443
0.7903 Intermediate Similarity NPC271921
0.7903 Intermediate Similarity NPC22101
0.7903 Intermediate Similarity NPC473829
0.7903 Intermediate Similarity NPC104537
0.7903 Intermediate Similarity NPC330426
0.7885 Intermediate Similarity NPC207292
0.7885 Intermediate Similarity NPC180534
0.7885 Intermediate Similarity NPC91495
0.7869 Intermediate Similarity NPC255863
0.7869 Intermediate Similarity NPC318420
0.7869 Intermediate Similarity NPC136164
0.7869 Intermediate Similarity NPC245947
0.7869 Intermediate Similarity NPC326268
0.7857 Intermediate Similarity NPC474672
0.7857 Intermediate Similarity NPC52264
0.7797 Intermediate Similarity NPC235242
0.7797 Intermediate Similarity NPC45097
0.7797 Intermediate Similarity NPC174447
0.7797 Intermediate Similarity NPC122521
0.7797 Intermediate Similarity NPC251042
0.7778 Intermediate Similarity NPC48218
0.7778 Intermediate Similarity NPC473559
0.7778 Intermediate Similarity NPC324981
0.7778 Intermediate Similarity NPC141481
0.7705 Intermediate Similarity NPC470320
0.7692 Intermediate Similarity NPC110234
0.7692 Intermediate Similarity NPC44363
0.7692 Intermediate Similarity NPC163751
0.7679 Intermediate Similarity NPC87394
0.7679 Intermediate Similarity NPC137538
0.7667 Intermediate Similarity NPC174560
0.7667 Intermediate Similarity NPC125312
0.7667 Intermediate Similarity NPC40082
0.7667 Intermediate Similarity NPC321838
0.7656 Intermediate Similarity NPC317583
0.7656 Intermediate Similarity NPC473772
0.7636 Intermediate Similarity NPC216407
0.7636 Intermediate Similarity NPC18357
0.7619 Intermediate Similarity NPC26500
0.7619 Intermediate Similarity NPC99619
0.7551 Intermediate Similarity NPC28598
0.7551 Intermediate Similarity NPC161097
0.7538 Intermediate Similarity NPC476660
0.7538 Intermediate Similarity NPC42526
0.75 Intermediate Similarity NPC218477
0.75 Intermediate Similarity NPC239754
0.75 Intermediate Similarity NPC117572
0.746 Intermediate Similarity NPC304665
0.746 Intermediate Similarity NPC154728
0.746 Intermediate Similarity NPC126899
0.7458 Intermediate Similarity NPC34416
0.7458 Intermediate Similarity NPC267817
0.7455 Intermediate Similarity NPC28205
0.7455 Intermediate Similarity NPC470412
0.7455 Intermediate Similarity NPC470410
0.7455 Intermediate Similarity NPC284212
0.7419 Intermediate Similarity NPC226592
0.7407 Intermediate Similarity NPC98284
0.7407 Intermediate Similarity NPC250919
0.7313 Intermediate Similarity NPC474705
0.7313 Intermediate Similarity NPC167145
0.7313 Intermediate Similarity NPC470237
0.7288 Intermediate Similarity NPC211752
0.7288 Intermediate Similarity NPC323597
0.7288 Intermediate Similarity NPC323498
0.7273 Intermediate Similarity NPC475310
0.7255 Intermediate Similarity NPC236579
0.7255 Intermediate Similarity NPC203531
0.7241 Intermediate Similarity NPC477984
0.7213 Intermediate Similarity NPC299730
0.7213 Intermediate Similarity NPC328311
0.7213 Intermediate Similarity NPC327112
0.7206 Intermediate Similarity NPC166797
0.7206 Intermediate Similarity NPC474321
0.7206 Intermediate Similarity NPC330016
0.72 Intermediate Similarity NPC12156
0.7188 Intermediate Similarity NPC16119
0.7188 Intermediate Similarity NPC284447
0.7167 Intermediate Similarity NPC469373
0.7164 Intermediate Similarity NPC84038
0.7143 Intermediate Similarity NPC477458
0.7143 Intermediate Similarity NPC201622
0.7143 Intermediate Similarity NPC34883
0.7143 Intermediate Similarity NPC54980
0.7143 Intermediate Similarity NPC22903
0.7143 Intermediate Similarity NPC48162
0.7143 Intermediate Similarity NPC305660
0.7121 Intermediate Similarity NPC143396
0.7121 Intermediate Similarity NPC199557
0.7119 Intermediate Similarity NPC327388
0.7119 Intermediate Similarity NPC325977
0.7115 Intermediate Similarity NPC270796
0.7101 Intermediate Similarity NPC228978
0.7097 Intermediate Similarity NPC477829
0.7077 Intermediate Similarity NPC474619
0.7049 Intermediate Similarity NPC474267
0.7031 Intermediate Similarity NPC98897
0.7031 Intermediate Similarity NPC476657
0.7031 Intermediate Similarity NPC476654
0.7031 Intermediate Similarity NPC476655
0.7018 Intermediate Similarity NPC170167
0.7 Intermediate Similarity NPC474447
0.7 Intermediate Similarity NPC31551
0.7 Intermediate Similarity NPC239127
0.7 Intermediate Similarity NPC323436
0.7 Intermediate Similarity NPC219536
0.6984 Remote Similarity NPC477707
0.6981 Remote Similarity NPC287231
0.6981 Remote Similarity NPC47363
0.697 Remote Similarity NPC134385
0.697 Remote Similarity NPC476614
0.6957 Remote Similarity NPC227396
0.6957 Remote Similarity NPC306928
0.6949 Remote Similarity NPC45626
0.6935 Remote Similarity NPC81896
0.6935 Remote Similarity NPC321919
0.6923 Remote Similarity NPC476656
0.6923 Remote Similarity NPC476659
0.6912 Remote Similarity NPC186531
0.6912 Remote Similarity NPC320119
0.6901 Remote Similarity NPC145898
0.6885 Remote Similarity NPC329819
0.6875 Remote Similarity NPC234767
0.6875 Remote Similarity NPC474400
0.6875 Remote Similarity NPC34622
0.6866 Remote Similarity NPC296522
0.6866 Remote Similarity NPC144511
0.6866 Remote Similarity NPC470436
0.6863 Remote Similarity NPC149299
0.6863 Remote Similarity NPC256163
0.6863 Remote Similarity NPC250028
0.6863 Remote Similarity NPC40597
0.6863 Remote Similarity NPC165533
0.6857 Remote Similarity NPC469414
0.6857 Remote Similarity NPC329826
0.6857 Remote Similarity NPC255060
0.6857 Remote Similarity NPC244166
0.6857 Remote Similarity NPC324762
0.6852 Remote Similarity NPC76976
0.6852 Remote Similarity NPC30195

  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 NPC39633 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
0.9592 High Similarity NPD29 Approved
0.9592 High Similarity NPD28 Approved
0.9038 High Similarity NPD3194 Approved
0.9038 High Similarity NPD3196 Approved
0.9038 High Similarity NPD3195 Phase 2
0.9038 High Similarity NPD4266 Approved
0.8846 High Similarity NPD3172 Approved
0.8571 High Similarity NPD3174 Discontinued
0.8235 Intermediate Similarity NPD5343 Approved
0.8077 Intermediate Similarity NPD3173 Approved
0.8 Intermediate Similarity NPD3197 Phase 1
0.7885 Intermediate Similarity NPD622 Approved
0.7647 Intermediate Similarity NPD6097 Approved
0.7647 Intermediate Similarity NPD6096 Approved
0.75 Intermediate Similarity NPD4222 Approved
0.75 Intermediate Similarity NPD39 Approved
0.7213 Intermediate Similarity NPD4246 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD6108 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3206 Approved
0.7115 Intermediate Similarity NPD5326 Phase 3
0.7101 Intermediate Similarity NPD8039 Approved
0.6981 Remote Similarity NPD2699 Approved
0.6842 Remote Similarity NPD6927 Phase 3
0.6731 Remote Similarity NPD2270 Approved
0.6613 Remote Similarity NPD6109 Phase 1
0.6575 Remote Similarity NPD3732 Approved
0.6567 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6533 Remote Similarity NPD5369 Approved
0.6447 Remote Similarity NPD6435 Approved
0.6438 Remote Similarity NPD4756 Discovery
0.6418 Remote Similarity NPD7331 Phase 2
0.64 Remote Similarity NPD5368 Approved
0.6364 Remote Similarity NPD3199 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7154 Phase 3
0.6364 Remote Similarity NPD5362 Discontinued
0.6351 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6346 Remote Similarity NPD633 Phase 3
0.6346 Remote Similarity NPD9448 Phase 2
0.6316 Remote Similarity NPD6125 Clinical (unspecified phase)
0.6234 Remote Similarity NPD4270 Approved
0.6234 Remote Similarity NPD4269 Approved
0.6212 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6184 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6184 Remote Similarity NPD4252 Approved
0.6133 Remote Similarity NPD4271 Approved
0.6133 Remote Similarity NPD4268 Approved
0.6125 Remote Similarity NPD5786 Approved
0.6038 Remote Similarity NPD9655 Approved
0.6038 Remote Similarity NPD5783 Phase 3
0.6029 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6026 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6 Remote Similarity NPD5363 Approved
0.6 Remote Similarity NPD387 Clinical (unspecified phase)
0.5974 Remote Similarity NPD4819 Approved
0.5974 Remote Similarity NPD4821 Approved
0.5974 Remote Similarity NPD4820 Approved
0.5974 Remote Similarity NPD4822 Approved
0.5968 Remote Similarity NPD3728 Approved
0.5968 Remote Similarity NPD3730 Approved
0.5942 Remote Similarity NPD3704 Approved
0.5926 Remote Similarity NPD7521 Approved
0.5926 Remote Similarity NPD7146 Approved
0.5926 Remote Similarity NPD6409 Approved
0.5926 Remote Similarity NPD5330 Approved
0.5926 Remote Similarity NPD6422 Discontinued
0.5926 Remote Similarity NPD6684 Approved
0.5926 Remote Similarity NPD7334 Approved
0.5904 Remote Similarity NPD6101 Approved
0.5904 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5882 Remote Similarity NPD5325 Clinical (unspecified phase)
0.5833 Remote Similarity NPD5785 Approved
0.5797 Remote Similarity NPD7341 Phase 2
0.5783 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5783 Remote Similarity NPD6672 Approved
0.5783 Remote Similarity NPD5737 Approved
0.5783 Remote Similarity NPD6903 Approved
0.5765 Remote Similarity NPD7983 Approved
0.5765 Remote Similarity NPD6411 Approved
0.575 Remote Similarity NPD5331 Approved
0.575 Remote Similarity NPD5332 Approved
0.5732 Remote Similarity NPD6098 Approved
0.5714 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5370 Suspended
0.5698 Remote Similarity NPD5778 Approved
0.5698 Remote Similarity NPD5779 Approved
0.5696 Remote Similarity NPD4790 Discontinued
0.5692 Remote Similarity NPD8779 Phase 3
0.569 Remote Similarity NPD634 Phase 3
0.5667 Remote Similarity NPD4220 Pre-registration
0.5663 Remote Similarity NPD4250 Approved
0.5663 Remote Similarity NPD4251 Approved
0.5663 Remote Similarity NPD3573 Approved
0.5647 Remote Similarity NPD6698 Approved
0.5647 Remote Similarity NPD3673 Approved
0.5647 Remote Similarity NPD46 Approved
0.5647 Remote Similarity NPD3672 Approved
0.5645 Remote Similarity NPD3186 Phase 1
0.5625 Remote Similarity NPD4627 Clinical (unspecified phase)
0.5625 Remote Similarity NPD5209 Approved
0.561 Remote Similarity NPD1694 Approved
0.561 Remote Similarity NPD1733 Clinical (unspecified phase)

  Bioactivity similarity: Similar Natural Products in NPASS

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

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

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