NPASS Compound

Structure

Physi-Chem Properties

Molecular Weight:	150.1
Volume:	173.841
LogP:	2.41
LogD:	2.452
LogS:	-2.129
# Rotatable Bonds:	2
TPSA:	20.23
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	1
# Heavy Atoms:	1

MedChem Properties

QED Drug-Likeness Score:	0.685
Synthetic Accessibility Score:	1.48
Fsp3:	0.4
Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Accepted
GSK Rule:	Accepted
BMS Rule:	0
Golden Triangle Rule:	Rejected
Chelating Alert:	0
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-4.131
MDCK Permeability:	1.9498058463796042e-05
Pgp-inhibitor:	0.001
Pgp-substrate:	0.009
Human Intestinal Absorption (HIA):	0.004
20% Bioavailability (F20%):	0.026
30% Bioavailability (F30%):	0.027

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.977
Plasma Protein Binding (PPB):	81.9879379272461%
Volume Distribution (VD):	2.35
Pgp-substrate:	19.87444305419922%

ADMET: Metabolism

CYP1A2-inhibitor:	0.865
CYP1A2-substrate:	0.921
CYP2C19-inhibitor:	0.635
CYP2C19-substrate:	0.619
CYP2C9-inhibitor:	0.234
CYP2C9-substrate:	0.187
CYP2D6-inhibitor:	0.723
CYP2D6-substrate:	0.563
CYP3A4-inhibitor:	0.027
CYP3A4-substrate:	0.616

ADMET: Excretion

Clearance (CL):	8.497
Half-life (T1/2):	0.673

ADMET: Toxicity

hERG Blockers:	0.027
Human Hepatotoxicity (H-HT):	0.029
Drug-inuced Liver Injury (DILI):	0.261
AMES Toxicity:	0.019
Rat Oral Acute Toxicity:	0.077
Maximum Recommended Daily Dose:	0.016
Skin Sensitization:	0.158
Carcinogencity:	0.146
Eye Corrosion:	0.018
Eye Irritation:	0.986
Respiratory Toxicity:	0.022

Download Data

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

Natural Product: NPC93843

Natural Product ID:	NPC93843
*Common Name:**	(4-Propan-2-Ylphenyl)Methanol
IUPAC Name:	(4-propan-2-ylphenyl)methanol
Synonyms:
Standard InCHIKey:	OIGWAXDAPKFNCQ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
SMILES:	OCc1ccc(cc1)C(C)C
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL3183500
PubChem CID:	325
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
NPO163	Daucus carota	Species	Apiaceae	Eukaryota		n.a.	n.a.	DOI[10.1016/0045-6535(91)90110-Y]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.1016/j.foodchem.2009.03.042]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.jfca.2004.07.004]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.jfca.2005.08.001]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	retail stores, supermarkets and market stalls in Forssa and in the Helsinki area	2003–2005	DOI[10.1016/j.jfca.2006.05.007]
NPO5852	Litsea glutinosa	Species	Lauraceae	Eukaryota	n.a.	stem	n.a.	DOI[10.1016/S0031-9422(00)88469-1]
NPO5852	Litsea glutinosa	Species	Lauraceae	Eukaryota	n.a.	leaf	n.a.	DOI[10.1016/S0031-9422(00)88469-1]
NPO15810	Zea mays	Species	Poaceae	Eukaryota		n.a.	n.a.	DOI[10.1021/jf00055a023]
NPO26266	Isodon japonicus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1039/C39730000707]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.3136/fstr.15.499]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.5897/AJB10.140]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.5897/AJB2010.000-3252]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.5897/JMPR.9000078]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	1996-Sep	PMID[10352947]
NPO11438	Angelica gigas	Species	Apiaceae	Eukaryota	n.a.	root	n.a.	PMID[11374978]
NPO25769	Heterotheca inuloides	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11473412]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	n.a.	seed	n.a.	PMID[11539687]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11908994]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	flower	n.a.	PMID[12130858]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12713418]
NPO9290	Zanthoxylum piperitum	Species	Rutaceae	Eukaryota	n.a.	leaf	n.a.	PMID[15388977]
NPO11438	Angelica gigas	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15679317]
NPO26927	Salacia madagascariensis	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15730255]
NPO26927	Salacia madagascariensis	Species	Celastraceae	Eukaryota	n.a.	root	n.a.	PMID[15730255]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15877880]
NPO25870	Vaccinium vitis-idaea	Species	Ericaceae	Eukaryota	n.a.	fruit	n.a.	PMID[16417304]
NPO15462	Angelica sinensis	Species	Apiaceae	Eukaryota	roots	purchased from Kiu Shun Trading Ltd., Vancouver, Canada	2000	PMID[16643021]
NPO26834	Eutypella scoparia	Species	Diatrypaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16724861]
NPO9290	Zanthoxylum piperitum	Species	Rutaceae	Eukaryota	n.a.	stem	n.a.	PMID[17202689]
NPO26211	Knightia excelsa	Species	Proteaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[17315967]
NPO11438	Angelica gigas	Species	Apiaceae	Eukaryota	n.a.	root	n.a.	PMID[17997069]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	seeds	n.a.	n.a.	PMID[17998162]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	root	n.a.	PMID[1823989]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18460139]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	Northeastern Regional Plant Introduction Station at Geneva	1966, 1967, and 1968 crop seasons	PMID[18460139]
NPO26266	Isodon japonicus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18491868]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	root	n.a.	PMID[18975262]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[1955885]
NPO26507	Galenia africana	Species	Aizoaceae	Eukaryota	leaf	n.a.	n.a.	PMID[20035557]
NPO11871	Illicium difengpi	Species	Schisandraceae	Eukaryota	stem bark	n.a.	n.a.	PMID[20411974]
NPO26654	Penicillium citreonigrum	Species	Aspergillaceae	Eukaryota	n.a.	atlantic-forest-soil	n.a.	PMID[20450206]
NPO8256	Zanthoxylum armatum	Species	Rutaceae	Eukaryota	n.a.	seed	n.a.	PMID[20628994]
NPO9290	Zanthoxylum piperitum	Species	Rutaceae	Eukaryota	n.a.	pericarp	n.a.	PMID[20628994]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	n.a.	fruit	n.a.	PMID[20879744]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21080643]
NPO26834	Eutypella scoparia	Species	Diatrypaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21302965]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	n.a.	leaf	n.a.	PMID[21574561]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	n.a.	husk	n.a.	PMID[21574561]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	exocarp	n.a.	PMID[21800857]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21800857]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	root	n.a.	PMID[21800857]
NPO14077	Chamaecyparis lawsoniana	Species	Cupressaceae	Eukaryota	n.a.	stem	n.a.	PMID[23157017]
NPO14077	Chamaecyparis lawsoniana	Species	Cupressaceae	Eukaryota	n.a.	leaf	n.a.	PMID[23157017]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	n.a.	seed	n.a.	PMID[23292602]
NPO14621	Cuminum cyminum	Species	Apiaceae	Eukaryota	n.a.	seed	n.a.	PMID[23507295]
NPO5315	Zanthoxylum bungeanum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24175626]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24333010]
NPO8256	Zanthoxylum armatum	Species	Rutaceae	Eukaryota	n.a.	stem	n.a.	PMID[24412550]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	Tongxiang, China	n.a.	PMID[24621197]
NPO15462	Angelica sinensis	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25538068]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26099993]
NPO18951	Ligusticum sinense	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26521454]
NPO25769	Heterotheca inuloides	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26566007]
NPO15462	Angelica sinensis	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27400088]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27419473]
NPO26451	Ophiocoma scolopendrina	Species	Ophiocomidae	Eukaryota	n.a.	n.a.	n.a.	PMID[27684202]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	PMID[28156114]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	PMID[28248102]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[2831703]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29400471]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29762032]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	Aerial Parts	n.a.	n.a.	PMID[30726671]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31747281]
NPO12970	Aspergillus fischeri	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31920082]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[6821187]
NPO26927	Salacia madagascariensis	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7288445]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[8594148]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	n.a.	pollen	n.a.	PMID[8987503]
NPO10128	Aplysia punctata	Species	Aplysiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[9213585]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	Seed Essent. Oil	n.a.	n.a.	Database[FooDB]
NPO17752	Mentha X piperita	Strain	Lamiaceae	Eukaryota	Shoot	n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Shoot	n.a.	n.a.	Database[FooDB]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	Leaf Essent. Oil	n.a.	n.a.	Database[FooDB]
NPO15810	Zea mays	Species	Poaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	Shoot	n.a.	n.a.	Database[FooDB]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	Oil	n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	Silk Essent. Oil	n.a.	n.a.	Database[FooDB]
NPO7698	Elettaria cardamomum	Species	Zingiberaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO25870	Vaccinium vitis-idaea	Species	Ericaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	Silk Stigma Style	n.a.	n.a.	Database[FooDB]
NPO17752	Mentha X piperita	Strain	Lamiaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO14621	Cuminum cyminum	Species	Apiaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	Aril	n.a.	n.a.	Database[FooDB]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	Stem	n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Roots	n.a.		Database[FooDB]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	Bark	n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Tissue Culture	n.a.	n.a.	Database[FooDB]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO17752	Mentha X piperita	Strain	Lamiaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO25870	Vaccinium vitis-idaea	Species	Ericaceae	Eukaryota	Fruits	n.a.		Database[FooDB]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	Cob	n.a.	n.a.	Database[FooDB]
NPO17752	Mentha X piperita	Strain	Lamiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	Pollen Or Spore	n.a.	n.a.	Database[FooDB]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO7698	Elettaria cardamomum	Species	Zingiberaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO14621	Cuminum cyminum	Species	Apiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Root	n.a.	n.a.	Database[FooDB]
NPO7698	Elettaria cardamomum	Species	Zingiberaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO7698	Elettaria cardamomum	Species	Zingiberaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	Root	n.a.	n.a.	Database[FooDB]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	Husk Essent. Oil	n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO14621	Cuminum cyminum	Species	Apiaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO7698	Elettaria cardamomum	Species	Zingiberaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO17752	Mentha X piperita	Strain	Lamiaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO11438	Angelica gigas	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO6320	Echinosophora koreensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO9290	Zanthoxylum piperitum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8471	Angelica taiwaniana	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO30851	Magnolia liliflora	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO18951	Ligusticum sinense	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO1070	Matricaria suffruticosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4120	Ulmus americana	Species	Ulmaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO2892	Wikstroemia chamaedaphne	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4340	Peucedanum praeruptorum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26134	Epimedium davidii	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14621	Cuminum cyminum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5315	Zanthoxylum bungeanum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8650.1	Perilla frutescens var. arguta	Varieties	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5852	Litsea glutinosa	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25870	Vaccinium vitis-idaea	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22230	Rhodiola crenulata	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8698	Zanthoxylum schinifolium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8642	Lithospermum officinale	Species	Boraginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO31073	Ligusticum chuanxiong	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO9087	Sarcococca vagans	Species	Buxaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15462	Angelica sinensis	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22033	Cnidium officinale	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11871	Illicium difengpi	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO2921	Angelica acutiloba	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17752	Mentha X piperita	Strain	Lamiaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO7698	Elettaria cardamomum	Species	Zingiberaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO14621	Cuminum cyminum	Species	Apiaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO22230	Rhodiola crenulata	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8650.1	Perilla frutescens var. arguta	Varieties	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25870	Vaccinium vitis-idaea	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11871	Illicium difengpi	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1070	Matricaria suffruticosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22505	Bombax ceiba	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8698	Zanthoxylum schinifolium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO2892	Wikstroemia chamaedaphne	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26699	Leonurus glaucescens	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26134	Epimedium davidii	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8642	Lithospermum officinale	Species	Boraginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15462	Angelica sinensis	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26349	Frullania tamarisci	Species	Frullaniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18951	Ligusticum sinense	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4340	Peucedanum praeruptorum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17752	Mentha X piperita	Strain	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5852	Litsea glutinosa	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6320	Echinosophora koreensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13730	Magnolia liliiflora	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9290	Zanthoxylum piperitum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8256	Zanthoxylum armatum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO27606	Ulva clathrata	Species	Ulvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO2921	Angelica acutiloba	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14621	Cuminum cyminum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22033	Cnidium officinale	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26898	Jacobaea vulgaris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11438	Angelica gigas	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5510	Lepidium draba	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5315	Zanthoxylum bungeanum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8471	Angelica taiwaniana	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9087	Sarcococca vagans	Species	Buxaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4120	Ulmus americana	Species	Ulmaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8642	Lithospermum officinale	Species	Boraginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO22230	Rhodiola crenulata	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO15462	Angelica sinensis	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO5315	Zanthoxylum bungeanum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO30851	Magnolia liliflora	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO5510	Lepidium draba	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9087	Sarcococca vagans	Species	Buxaceae	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]
NPO5241	Myristica fragrans	Species	Myristicaceae	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]
NPO25972	Eupolyphaga sinensis	Species	Corydiidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO11871	Illicium difengpi	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9290	Zanthoxylum piperitum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO18951	Ligusticum sinense	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO11438	Angelica gigas	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO4340	Peucedanum praeruptorum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO8698	Zanthoxylum schinifolium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[Title]
NPO15462	Angelica sinensis	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO22230	Rhodiola crenulata	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO22033	Cnidium officinale	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4340	Peucedanum praeruptorum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO11438	Angelica gigas	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO7698	Elettaria cardamomum	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO5315	Zanthoxylum bungeanum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO8698	Zanthoxylum schinifolium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO9290	Zanthoxylum piperitum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO2921	Angelica acutiloba	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO11871	Illicium difengpi	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO18951	Ligusticum sinense	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO26624	Ilex amara	Species	Aquifoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2921	Angelica acutiloba	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26287	Spodoptera eridania	Species	0ctuidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26374	Alangium premnifolium	Species	Cornaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25896	Bragantia wallichii	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO15870	Corydalis nakaii	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4895	Coleus esquirolii	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25995	Laurencia distichophylla	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26211	Knightia excelsa	Species	Proteaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26806	Nidula candida	Species	Nidulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26161	Globba malaccensis	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25792	Delphinium andersoni	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8256	Zanthoxylum armatum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6320	Echinosophora koreensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7841	Solanum transcaucasicum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7847	Senecio densiflorus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26699	Leonurus glaucescens	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12970	Aspergillus fischeri	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9476	Metapenaeus bennettae	Species	Penaeidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7447	Nemalion vermiculare	Species	Liagoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17752	Mentha X piperita	Strain	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8471	Angelica taiwaniana	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2892	Wikstroemia chamaedaphne	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1467	Wedelia prostrata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8022	Consolida hohenackeri	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15810	Zea mays	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26561	Micromeria pineolens	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2999	Coprinellus flocculosus	Species	Psathyrellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO777	Kielmeyera coriacea	Species	Calophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25769	Heterotheca inuloides	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26898	Jacobaea vulgaris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2199	Tecoma pentaphylla	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26052	Swertia delavayi	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26349	Frullania tamarisci	Species	Frullaniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22230	Rhodiola crenulata	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26134	Epimedium davidii	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7028	Sida veronicaefolia	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14621	Cuminum cyminum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27606	Ulva clathrata	Species	Ulvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26834	Eutypella scoparia	Species	Diatrypaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25739	Erysimum odoratum	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26900	Vallota purpurea	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO5510	Lepidium draba	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26451	Ophiocoma scolopendrina	Species	Ophiocomidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5852	Litsea glutinosa	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8650.1	Perilla frutescens var. arguta	Varieties	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25972	Eupolyphaga sinensis	Species	Corydiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26584	Gnidia lamprantha	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15462	Angelica sinensis	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16266	Didymium bahiense	Species	Didymiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24083.1	Melanelixia fuliginosa subsp. glabratula	Subspecies	Parmeliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10128	Aplysia punctata	Species	Aplysiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14077	Chamaecyparis lawsoniana	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26927	Salacia madagascariensis	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5604	Chelonia japonica	Species	Cheloniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9590	Xanthoria aureola	Species	Teloschistaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13730	Magnolia liliiflora	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9995	Cynara humilis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9733	Spongia bilamellata	Species	Spongiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15558	Leucas neufliseana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2898	Quercus sessiliflora	Species	Fagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9087	Sarcococca vagans	Species	Buxaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26023	Angelica tarokoensis	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7698	Elettaria cardamomum	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10264	Platonia insignis	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4120	Ulmus americana	Species	Ulmaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24347	Stereocaulon sasakii	Species	Stereocaulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8698	Zanthoxylum schinifolium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1682	Rhytidoponera metallica	Species	Formicidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22505	Bombax ceiba	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25870	Vaccinium vitis-idaea	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23075	Primula macrophylla	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26950	Maba buxifolia	Species	Ebenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7650	Salvia munzii	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26654	Penicillium citreonigrum	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26406	Saussurea carthamoides	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4340	Peucedanum praeruptorum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26266	Isodon japonicus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5315	Zanthoxylum bungeanum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2015	Udotea petiolata	Species	Udoteaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3341	Leishmania major	Species	Trypanosomatidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8642	Lithospermum officinale	Species	Boraginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18951	Ligusticum sinense	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6378	Wilcoxia viperina	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO25949	Streptomyces griseovariabilis	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO22258	Chrysanthemum indicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25923	Vismia jefensis	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4523	Reaumuria hirtella	Species	Tamaricaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11438	Angelica gigas	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8253	Alexandrium hiranoi	Species	Gonyaulacaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26607	Colobocentrotus atratus	Species	Echinidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9221	Trachelospermum lucidum	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14793	Erica glauca	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20059.1	Lactobacillus delbrueckii subsp. bulgaricus	Subspecies	Lactobacillaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO26507	Galenia africana	Species	Aizoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6894	Elegia deusta	Species	Restionaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9290	Zanthoxylum piperitum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6801	Bellium bellidioides	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1070	Matricaria suffruticosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26319	Solanum acaule	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13438	Centaurea calcitrapa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6556	Garcinia intermedia	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26184	Diphasia angolensis	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4200	Artemisia messerschmidtiana	Species	Asteraceae	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
NPO17752	NPC93843	Other	Leaf	0.00055	0.0001	0.001	mg/100g	Database [DUKE]
NPO14621	NPC93843	Other	Seed	1098	30	2166	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

Activity Type	# Activity
IC50	3
Others	3
Potency	8

Activity Type	# Activity
Individual Protein	1
Organism	6
Others	7

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT106	Individual Protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	n.a.	27542.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	43651.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	54482.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	1380.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	6166	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	9771.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	34669.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	24544.2	nM	PubChem BioAssay data set
NPT554	Organism	Candida glabrata	Candida glabrata	MFC	=	500.0	ug ml-1	PMID[566626]
NPT554	Organism	Candida glabrata	Candida glabrata	IC50	=	7.09	ug.mL-1	PMID[566626]
NPT20	Organism	Candida albicans	Candida albicans	MFC	=	1000.0	ug ml-1	PMID[566626]
NPT20	Organism	Candida albicans	Candida albicans	IC50	=	81.47	ug.mL-1	PMID[566626]
NPT186	Organism	Candida tropicalis	Candida tropicalis	IC50	=	44.77	ug.mL-1	PMID[566626]
NPT186	Organism	Candida tropicalis	Candida tropicalis	MFC	=	1000.0	ug ml-1	PMID[566626]

☑ 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 NPC93843 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	191
0.1-0.2	1378
0.2-0.3	3745
0.3-0.4	13161
0.4-0.5	13723
0.5-0.6	7979
0.6-0.7	2010
0.7-0.8	455
0.8-0.85	34
0.85-0.9	13
0.9-0.95	7
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9405	High Similarity	NPC1793
0.9268	High Similarity	NPC168855
0.9186	High Similarity	NPC79917
0.9157	High Similarity	NPC474354
0.9146	High Similarity	NPC172984
0.9048	High Similarity	NPC474211
0.9036	High Similarity	NPC304538
0.9024	High Similarity	NPC103326
0.9024	High Similarity	NPC87299
0.9024	High Similarity	NPC99394
0.9024	High Similarity	NPC329319
0.9	High Similarity	NPC224544
0.8902	High Similarity	NPC133050
0.8902	High Similarity	NPC117180
0.8875	High Similarity	NPC66655
0.8864	High Similarity	NPC128645
0.8652	High Similarity	NPC314690
0.8523	High Similarity	NPC199567
0.85	High Similarity	NPC108218
0.8421	Intermediate Similarity	NPC19856
0.8404	Intermediate Similarity	NPC289117
0.8353	Intermediate Similarity	NPC106313
0.8333	Intermediate Similarity	NPC475225
0.8333	Intermediate Similarity	NPC328178
0.8333	Intermediate Similarity	NPC315794
0.828	Intermediate Similarity	NPC259512
0.828	Intermediate Similarity	NPC312132
0.825	Intermediate Similarity	NPC208302
0.8247	Intermediate Similarity	NPC243601
0.8247	Intermediate Similarity	NPC471133
0.8242	Intermediate Similarity	NPC304541
0.8229	Intermediate Similarity	NPC471228
0.8229	Intermediate Similarity	NPC235762
0.8211	Intermediate Similarity	NPC469481
0.8211	Intermediate Similarity	NPC174911
0.8191	Intermediate Similarity	NPC79241
0.8191	Intermediate Similarity	NPC6597
0.8171	Intermediate Similarity	NPC189371
0.809	Intermediate Similarity	NPC211237
0.8081	Intermediate Similarity	NPC472980
0.8081	Intermediate Similarity	NPC472979
0.8081	Intermediate Similarity	NPC66834
0.8081	Intermediate Similarity	NPC27252
0.8022	Intermediate Similarity	NPC258219
0.8021	Intermediate Similarity	NPC72729
0.8	Intermediate Similarity	NPC64642
0.8	Intermediate Similarity	NPC474073
0.8	Intermediate Similarity	NPC149455
0.8	Intermediate Similarity	NPC472982
0.7979	Intermediate Similarity	NPC21959
0.7978	Intermediate Similarity	NPC243166
0.7957	Intermediate Similarity	NPC138117
0.7957	Intermediate Similarity	NPC325292
0.7957	Intermediate Similarity	NPC55903
0.7938	Intermediate Similarity	NPC60373
0.7938	Intermediate Similarity	NPC154905
0.7938	Intermediate Similarity	NPC304873
0.7935	Intermediate Similarity	NPC220596
0.7935	Intermediate Similarity	NPC300017
0.7931	Intermediate Similarity	NPC283012
0.7931	Intermediate Similarity	NPC475199
0.7917	Intermediate Similarity	NPC33675
0.7917	Intermediate Similarity	NPC299762
0.7912	Intermediate Similarity	NPC27974
0.7875	Intermediate Similarity	NPC82770
0.7875	Intermediate Similarity	NPC78954
0.7875	Intermediate Similarity	NPC239931
0.7872	Intermediate Similarity	NPC152415
0.7872	Intermediate Similarity	NPC316301
0.7872	Intermediate Similarity	NPC27323
0.7865	Intermediate Similarity	NPC99482
0.7849	Intermediate Similarity	NPC231150
0.7849	Intermediate Similarity	NPC155908
0.7849	Intermediate Similarity	NPC306074
0.7843	Intermediate Similarity	NPC133308
0.7826	Intermediate Similarity	NPC242240
0.7826	Intermediate Similarity	NPC318325
0.7826	Intermediate Similarity	NPC123273
0.7812	Intermediate Similarity	NPC77492
0.7802	Intermediate Similarity	NPC307235
0.7802	Intermediate Similarity	NPC407
0.7802	Intermediate Similarity	NPC23167
0.7791	Intermediate Similarity	NPC469894
0.7789	Intermediate Similarity	NPC8392
0.7789	Intermediate Similarity	NPC313650
0.7778	Intermediate Similarity	NPC323810
0.7767	Intermediate Similarity	NPC111108
0.7767	Intermediate Similarity	NPC471188
0.7766	Intermediate Similarity	NPC306884
0.7766	Intermediate Similarity	NPC162314
0.7766	Intermediate Similarity	NPC94139
0.7766	Intermediate Similarity	NPC3358
0.7766	Intermediate Similarity	NPC210497
0.7766	Intermediate Similarity	NPC147284
0.7755	Intermediate Similarity	NPC252105
0.7753	Intermediate Similarity	NPC95429
0.7742	Intermediate Similarity	NPC192
0.7742	Intermediate Similarity	NPC312304
0.7732	Intermediate Similarity	NPC217621
0.7732	Intermediate Similarity	NPC128723
0.7717	Intermediate Similarity	NPC25493
0.7717	Intermediate Similarity	NPC104216
0.7717	Intermediate Similarity	NPC113460
0.7701	Intermediate Similarity	NPC164449
0.7701	Intermediate Similarity	NPC184030
0.7692	Intermediate Similarity	NPC197783
0.7692	Intermediate Similarity	NPC198747
0.7692	Intermediate Similarity	NPC228452
0.7692	Intermediate Similarity	NPC155393
0.7684	Intermediate Similarity	NPC289769
0.7684	Intermediate Similarity	NPC245187
0.7684	Intermediate Similarity	NPC20142
0.7684	Intermediate Similarity	NPC215351
0.767	Intermediate Similarity	NPC132720
0.766	Intermediate Similarity	NPC265521
0.7653	Intermediate Similarity	NPC294741
0.7634	Intermediate Similarity	NPC274455
0.7634	Intermediate Similarity	NPC86670
0.7634	Intermediate Similarity	NPC70940
0.7634	Intermediate Similarity	NPC177420
0.7634	Intermediate Similarity	NPC280347
0.7629	Intermediate Similarity	NPC290515
0.7629	Intermediate Similarity	NPC164514
0.7629	Intermediate Similarity	NPC226096
0.7629	Intermediate Similarity	NPC108606
0.7629	Intermediate Similarity	NPC225464
0.7629	Intermediate Similarity	NPC303611
0.7614	Intermediate Similarity	NPC165212
0.7604	Intermediate Similarity	NPC222146
0.76	Intermediate Similarity	NPC238696
0.7582	Intermediate Similarity	NPC248817
0.7582	Intermediate Similarity	NPC286904
0.7582	Intermediate Similarity	NPC175313
0.7582	Intermediate Similarity	NPC150837
0.7579	Intermediate Similarity	NPC271440
0.7576	Intermediate Similarity	NPC25458
0.7553	Intermediate Similarity	NPC47950
0.7553	Intermediate Similarity	NPC300478
0.7553	Intermediate Similarity	NPC55561
0.7551	Intermediate Similarity	NPC122005
0.7551	Intermediate Similarity	NPC132078
0.7551	Intermediate Similarity	NPC92730
0.7551	Intermediate Similarity	NPC252821
0.7551	Intermediate Similarity	NPC78119
0.7551	Intermediate Similarity	NPC216468
0.7551	Intermediate Similarity	NPC51333
0.7528	Intermediate Similarity	NPC121478
0.7528	Intermediate Similarity	NPC73637
0.7527	Intermediate Similarity	NPC19680
0.7526	Intermediate Similarity	NPC216520
0.7526	Intermediate Similarity	NPC132271
0.7526	Intermediate Similarity	NPC253423
0.7526	Intermediate Similarity	NPC82664
0.7526	Intermediate Similarity	NPC324602
0.7526	Intermediate Similarity	NPC292730
0.7526	Intermediate Similarity	NPC473388
0.7525	Intermediate Similarity	NPC117115
0.7525	Intermediate Similarity	NPC471350
0.7525	Intermediate Similarity	NPC105899
0.7525	Intermediate Similarity	NPC47284
0.7524	Intermediate Similarity	NPC302371
0.75	Intermediate Similarity	NPC322387
0.75	Intermediate Similarity	NPC76938
0.7476	Intermediate Similarity	NPC64586
0.7475	Intermediate Similarity	NPC245927
0.7475	Intermediate Similarity	NPC214200
0.7475	Intermediate Similarity	NPC228400
0.7475	Intermediate Similarity	NPC130103
0.7475	Intermediate Similarity	NPC225506
0.7475	Intermediate Similarity	NPC213730
0.7474	Intermediate Similarity	NPC45040
0.7474	Intermediate Similarity	NPC204210
0.7473	Intermediate Similarity	NPC124436
0.7473	Intermediate Similarity	NPC265146
0.7473	Intermediate Similarity	NPC58616
0.7453	Intermediate Similarity	NPC319803
0.7451	Intermediate Similarity	NPC21594
0.7451	Intermediate Similarity	NPC310456
0.7451	Intermediate Similarity	NPC53740
0.7449	Intermediate Similarity	NPC175852
0.7449	Intermediate Similarity	NPC160548
0.7449	Intermediate Similarity	NPC317280
0.7449	Intermediate Similarity	NPC210529
0.7449	Intermediate Similarity	NPC329387
0.7447	Intermediate Similarity	NPC70436
0.7444	Intermediate Similarity	NPC146703
0.7426	Intermediate Similarity	NPC272029
0.7426	Intermediate Similarity	NPC472221
0.7426	Intermediate Similarity	NPC472222
0.7426	Intermediate Similarity	NPC56168
0.7426	Intermediate Similarity	NPC475580
0.7423	Intermediate Similarity	NPC274678
0.7423	Intermediate Similarity	NPC32714
0.7423	Intermediate Similarity	NPC144682
0.7423	Intermediate Similarity	NPC26244
0.7419	Intermediate Similarity	NPC304760
0.7419	Intermediate Similarity	NPC184169
0.7416	Intermediate Similarity	NPC242628
0.7407	Intermediate Similarity	NPC212891
0.7407	Intermediate Similarity	NPC92

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 NPC93843 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	221
0.1-0.2	1000
0.2-0.3	1380
0.3-0.4	3053
0.4-0.5	2046
0.5-0.6	1086
0.6-0.7	302
0.7-0.8	58
0.8-0.85	2
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8875	High Similarity	NPD9294	Approved
0.8421	Intermediate Similarity	NPD5700	Clinical (unspecified phase)
0.828	Intermediate Similarity	NPD288	Approved
0.7979	Intermediate Similarity	NPD844	Approved
0.7957	Intermediate Similarity	NPD845	Approved
0.7872	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7835	Intermediate Similarity	NPD1616	Discontinued
0.7802	Intermediate Similarity	NPD1101	Approved
0.7732	Intermediate Similarity	NPD3020	Approved
0.7634	Intermediate Similarity	NPD1089	Approved
0.7634	Intermediate Similarity	NPD1090	Approved
0.7634	Intermediate Similarity	NPD1086	Approved
0.7629	Intermediate Similarity	NPD9609	Approved
0.7629	Intermediate Similarity	NPD9612	Approved
0.7629	Intermediate Similarity	NPD9611	Approved
0.7527	Intermediate Similarity	NPD800	Approved
0.75	Intermediate Similarity	NPD4814	Discontinued
0.7475	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.7474	Intermediate Similarity	NPD1088	Approved
0.7473	Intermediate Similarity	NPD111	Approved
0.7449	Intermediate Similarity	NPD9495	Approved
0.7423	Intermediate Similarity	NPD2859	Approved
0.7423	Intermediate Similarity	NPD1809	Phase 2
0.7423	Intermediate Similarity	NPD2860	Approved
0.7419	Intermediate Similarity	NPD531	Approved
0.7416	Intermediate Similarity	NPD9250	Approved
0.74	Intermediate Similarity	NPD854	Approved
0.74	Intermediate Similarity	NPD855	Approved
0.74	Intermediate Similarity	NPD4818	Approved
0.74	Intermediate Similarity	NPD4817	Approved
0.7396	Intermediate Similarity	NPD1409	Phase 3
0.7396	Intermediate Similarity	NPD3718	Approved
0.7396	Intermediate Similarity	NPD3719	Approved
0.732	Intermediate Similarity	NPD2933	Approved
0.732	Intermediate Similarity	NPD1693	Approved
0.732	Intermediate Similarity	NPD2934	Approved
0.7312	Intermediate Similarity	NPD1087	Approved
0.7292	Intermediate Similarity	NPD9251	Approved
0.7292	Intermediate Similarity	NPD159	Clinical (unspecified phase)
0.729	Intermediate Similarity	NPD4869	Clinical (unspecified phase)
0.7282	Intermediate Similarity	NPD1444	Approved
0.7282	Intermediate Similarity	NPD1445	Approved
0.7255	Intermediate Similarity	NPD314	Approved
0.7255	Intermediate Similarity	NPD309	Approved
0.7255	Intermediate Similarity	NPD310	Approved
0.7255	Intermediate Similarity	NPD315	Approved
0.7255	Intermediate Similarity	NPD1237	Approved
0.7255	Intermediate Similarity	NPD311	Approved
0.7255	Intermediate Similarity	NPD10	Approved
0.7238	Intermediate Similarity	NPD4750	Phase 3
0.7212	Intermediate Similarity	NPD2342	Discontinued
0.7212	Intermediate Similarity	NPD4095	Clinical (unspecified phase)
0.7196	Intermediate Similarity	NPD7635	Approved
0.7188	Intermediate Similarity	NPD530	Approved
0.7188	Intermediate Similarity	NPD1239	Approved
0.7172	Intermediate Similarity	NPD1565	Approved
0.7172	Intermediate Similarity	NPD1566	Phase 3
0.7172	Intermediate Similarity	NPD1564	Approved
0.7157	Intermediate Similarity	NPD3682	Approved
0.7157	Intermediate Similarity	NPD3680	Approved
0.7157	Intermediate Similarity	NPD3681	Approved
0.7157	Intermediate Similarity	NPD4231	Approved
0.7157	Intermediate Similarity	NPD4229	Approved
0.7157	Intermediate Similarity	NPD3683	Approved
0.7143	Intermediate Similarity	NPD7725	Approved
0.7117	Intermediate Similarity	NPD3091	Approved
0.7117	Intermediate Similarity	NPD2227	Clinical (unspecified phase)
0.7087	Intermediate Similarity	NPD179	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD3022	Approved
0.7075	Intermediate Similarity	NPD1792	Phase 2
0.7075	Intermediate Similarity	NPD3021	Approved
0.7065	Intermediate Similarity	NPD9491	Approved
0.7064	Intermediate Similarity	NPD2629	Approved
0.7059	Intermediate Similarity	NPD940	Approved
0.7059	Intermediate Similarity	NPD846	Approved
0.7054	Intermediate Similarity	NPD1710	Approved
0.7033	Intermediate Similarity	NPD226	Approved
0.703	Intermediate Similarity	NPD2066	Phase 3
0.7009	Intermediate Similarity	NPD4025	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD4198	Discontinued
0.699	Remote Similarity	NPD5738	Clinical (unspecified phase)
0.699	Remote Similarity	NPD6647	Phase 2
0.699	Remote Similarity	NPD4658	Approved
0.699	Remote Similarity	NPD4656	Approved
0.6981	Remote Similarity	NPD4718	Approved
0.6981	Remote Similarity	NPD4720	Approved
0.6981	Remote Similarity	NPD4717	Approved
0.6964	Remote Similarity	NPD7741	Discontinued
0.6939	Remote Similarity	NPD752	Approved
0.6909	Remote Similarity	NPD5951	Approved
0.6907	Remote Similarity	NPD9256	Approved
0.6907	Remote Similarity	NPD9258	Approved
0.69	Remote Similarity	NPD1989	Approved
0.6893	Remote Similarity	NPD4719	Phase 2
0.6887	Remote Similarity	NPD9532	Phase 3
0.6887	Remote Similarity	NPD6406	Approved
0.687	Remote Similarity	NPD3092	Approved
0.6869	Remote Similarity	NPD719	Approved
0.6869	Remote Similarity	NPD720	Approved
0.6869	Remote Similarity	NPD1563	Approved
0.6852	Remote Similarity	NPD4254	Approved
0.6852	Remote Similarity	NPD4253	Approved
0.6842	Remote Similarity	NPD5125	Phase 3
0.6842	Remote Similarity	NPD5126	Approved
0.6842	Remote Similarity	NPD3095	Discontinued
0.6822	Remote Similarity	NPD2684	Approved
0.6818	Remote Similarity	NPD2228	Approved
0.6818	Remote Similarity	NPD2229	Approved
0.6818	Remote Similarity	NPD2234	Approved
0.6804	Remote Similarity	NPD9249	Phase 1
0.6804	Remote Similarity	NPD5346	Phase 2
0.6804	Remote Similarity	NPD5347	Phase 2
0.68	Remote Similarity	NPD688	Clinical (unspecified phase)
0.6796	Remote Similarity	NPD2558	Approved
0.6796	Remote Similarity	NPD2550	Approved
0.6796	Remote Similarity	NPD2555	Approved
0.6796	Remote Similarity	NPD2549	Approved
0.6796	Remote Similarity	NPD2552	Approved
0.6796	Remote Similarity	NPD2553	Approved
0.6789	Remote Similarity	NPD6124	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD7325	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD6775	Clinical (unspecified phase)
0.6771	Remote Similarity	NPD9538	Approved
0.6762	Remote Similarity	NPD9608	Approved
0.6762	Remote Similarity	NPD3048	Approved
0.6762	Remote Similarity	NPD3047	Approved
0.6762	Remote Similarity	NPD3046	Approved
0.6762	Remote Similarity	NPD9610	Approved
0.6759	Remote Similarity	NPD9380	Clinical (unspecified phase)
0.6757	Remote Similarity	NPD9614	Approved
0.6757	Remote Similarity	NPD9618	Approved
0.6742	Remote Similarity	NPD9716	Approved
0.6737	Remote Similarity	NPD5734	Clinical (unspecified phase)
0.6735	Remote Similarity	NPD3673	Approved
0.6735	Remote Similarity	NPD3672	Approved
0.6731	Remote Similarity	NPD4188	Approved
0.6731	Remote Similarity	NPD4189	Approved
0.6729	Remote Similarity	NPD290	Approved
0.6724	Remote Similarity	NPD5350	Clinical (unspecified phase)
0.6724	Remote Similarity	NPD5351	Clinical (unspecified phase)
0.6703	Remote Similarity	NPD225	Approved
0.6703	Remote Similarity	NPD227	Approved
0.6702	Remote Similarity	NPD3971	Phase 1
0.67	Remote Similarity	NPD5122	Clinical (unspecified phase)
0.6699	Remote Similarity	NPD9712	Approved
0.6697	Remote Similarity	NPD4141	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD7157	Approved
0.6667	Remote Similarity	NPD1930	Approved
0.6667	Remote Similarity	NPD1929	Approved
0.6667	Remote Similarity	NPD7159	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1931	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5765	Approved
0.6667	Remote Similarity	NPD9500	Approved
0.6667	Remote Similarity	NPD6831	Clinical (unspecified phase)
0.6639	Remote Similarity	NPD3094	Phase 2
0.6636	Remote Similarity	NPD6685	Approved
0.6636	Remote Similarity	NPD2499	Approved
0.6636	Remote Similarity	NPD2500	Approved
0.6636	Remote Similarity	NPD228	Approved
0.6636	Remote Similarity	NPD968	Approved
0.6635	Remote Similarity	NPD1242	Phase 1
0.6634	Remote Similarity	NPD6049	Phase 2
0.6634	Remote Similarity	NPD6048	Clinical (unspecified phase)
0.6634	Remote Similarity	NPD3772	Phase 3
0.6633	Remote Similarity	NPD689	Discontinued
0.663	Remote Similarity	NPD9490	Approved
0.6629	Remote Similarity	NPD9087	Approved
0.6607	Remote Similarity	NPD1791	Approved
0.6607	Remote Similarity	NPD475	Phase 2
0.6607	Remote Similarity	NPD1793	Approved
0.6602	Remote Similarity	NPD9711	Approved
0.6602	Remote Similarity	NPD9710	Approved
0.6598	Remote Similarity	NPD4793	Discontinued
0.6583	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6581	Remote Similarity	NPD804	Clinical (unspecified phase)
0.6579	Remote Similarity	NPD9613	Approved
0.6579	Remote Similarity	NPD9616	Approved
0.6579	Remote Similarity	NPD9615	Approved
0.6577	Remote Similarity	NPD7843	Approved
0.6552	Remote Similarity	NPD1751	Approved
0.6552	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD5238	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD5306	Approved
0.6552	Remote Similarity	NPD5305	Approved
0.6552	Remote Similarity	NPD4059	Approved
0.6552	Remote Similarity	NPD3019	Approved
0.6552	Remote Similarity	NPD2932	Approved
0.6552	Remote Similarity	NPD4626	Approved
0.6548	Remote Similarity	NPD675	Discontinued
0.6542	Remote Similarity	NPD5048	Discontinued
0.6535	Remote Similarity	NPD1066	Discontinued
0.6522	Remote Similarity	NPD316	Approved
0.6509	Remote Similarity	NPD1415	Approved
0.6505	Remote Similarity	NPD1875	Phase 1
0.6495	Remote Similarity	NPD9257	Approved
0.6495	Remote Similarity	NPD9259	Approved
0.6491	Remote Similarity	NPD694	Clinical (unspecified phase)
0.6491	Remote Similarity	NPD3123	Discovery
0.6491	Remote Similarity	NPD4230	Clinical (unspecified phase)
0.6486	Remote Similarity	NPD9508	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