NPASS Compound

Structure

CID303422 OpenBabel06191716112D 28 30 0 0 1 0 0 0 0 0999 V2000 -5.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6603 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 11 2 0 0 0 0 4 6 2 0 0 0 0 4 11 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 12 1 0 0 0 0 8 15 2 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 15 27 1 0 0 0 0 16 10 1 1 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 6 0 0 0 18 19 1 0 0 0 0 18 25 1 1 0 0 0 19 20 1 0 0 0 0 19 26 1 6 0 0 0 20 27 1 1 0 0 0 20 28 1 0 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	390.13
Volume:	380.673
LogP:	1.367
LogD:	1.721
LogS:	-1.975
# Rotatable Bonds:	5
TPSA:	139.84
# H-Bond Aceptor:	8
# H-Bond Donor:	6
# Rings:	3
# Heavy Atoms:	8

MedChem Properties

QED Drug-Likeness Score:	0.405
Synthetic Accessibility Score:	3.69
Fsp3:	0.3
Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Accepted
GSK Rule:	Accepted
BMS Rule:	0
Golden Triangle Rule:	Accepted
Chelating Alert:	0
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-6.14
MDCK Permeability:	5.688093551725615e-06
Pgp-inhibitor:	0.003
Pgp-substrate:	0.531
Human Intestinal Absorption (HIA):	0.379
20% Bioavailability (F20%):	0.036
30% Bioavailability (F30%):	0.991

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.091
Plasma Protein Binding (PPB):	97.44561767578125%
Volume Distribution (VD):	0.702
Pgp-substrate:	1.5441728830337524%

ADMET: Metabolism

CYP1A2-inhibitor:	0.342
CYP1A2-substrate:	0.041
CYP2C19-inhibitor:	0.029
CYP2C19-substrate:	0.065
CYP2C9-inhibitor:	0.011
CYP2C9-substrate:	0.682
CYP2D6-inhibitor:	0.046
CYP2D6-substrate:	0.778
CYP3A4-inhibitor:	0.194
CYP3A4-substrate:	0.054

ADMET: Excretion

Clearance (CL):	8.592
Half-life (T1/2):	0.823

ADMET: Toxicity

hERG Blockers:	0.305
Human Hepatotoxicity (H-HT):	0.116
Drug-inuced Liver Injury (DILI):	0.031
AMES Toxicity:	0.192
Rat Oral Acute Toxicity:	0.167
Maximum Recommended Daily Dose:	0.016
Skin Sensitization:	0.948
Carcinogencity:	0.244
Eye Corrosion:	0.003
Eye Irritation:	0.155
Respiratory Toxicity:	0.076

Download Data

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

Natural Product: NPC303422

Natural Product ID:	NPC303422
*Common Name:**	Piceid
IUPAC Name:	(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms:	(E)-Piceid; (E)-Polydatin; Piceid; Trans-Piceid
Standard InCHIKey:	HSTZMXCBWJGKHG-CUYWLFDKSA-N
Standard InCHI:	InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
SMILES:	C(=Cc1cc(cc(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)/c1ccc(cc1)O
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL142652
PubChem CID:	5281718
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000261] Phenylpropanoids and polyketides [CHEMONTID:0000253] Stilbenes [CHEMONTID:0000142] Stilbene glycosides

*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
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	Nigeria(latitude 80°N and longitude 4°E)	2005; 2006	DOI[10.1002/ejlt.201000080]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1007/s11306-010-0259-y]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1007/s11306-014-0638-x]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	n.a.	n.a.	2007; 2008	DOI[10.1007/s11746-010-1589-7]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1007/s11746-997-0093-1]
NPO14685	Swertia franchetiana	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.bse.2004.02.008]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.phytol.2008.07.007]
NPO15401	Theobroma cacao	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/S0031-9422(00)00169-2]
NPO22796	Cyperus rotundus	Species	Cyperaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/S0040-4039(01)90945-1]
NPO12079	Dysoxylum cumingianum	Species	Meliaceae	Eukaryota	n.a.	leaf	n.a.	DOI[10.1021/jo00051a050]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	Seeds	Plovdiv, Plovdiv region in South Bulgaria		DOI[10.1051/CTV/20163101031]
NPO947	Rauvolfia vomitoria	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1080/01496395.2011.635623]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	cone	n.a.	PMID[10336650]
NPO11391	Polygonum cuspidatum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11076555]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11170689]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	n.a.	cotyledon	n.a.	PMID[11283027]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	fruit	n.a.	PMID[11312782]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	leaf	n.a.	PMID[11312782]
NPO15659	Zanthoxylum tetraspermum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11324918]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11408943]
NPO14520	Bassia muricata	Species	Chenopodiaceae	Eukaryota	n.a.	aerial part	n.a.	PMID[11454355]
NPO11391	Polygonum cuspidatum	Species	Polygonaceae	Eukaryota	Roots	n.a.	n.a.	PMID[11459643]
NPO5650	Eupatorium glutinosum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12027751]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	fruit	n.a.	PMID[12105962]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	n.a.	seed	n.a.	PMID[12670184]
NPO26327	Chaenomeles sinensis	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[14600382]
NPO15401	Theobroma cacao	Species	Malvaceae	Eukaryota	n.a.	fruit	n.a.	PMID[15128023]
NPO11391	Polygonum cuspidatum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[1517743]
NPO32936	calligonum leucocladum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15217293]
NPO1782	Piper caninum	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15270572]
NPO15063	Leathesia nana	Species	Chordariaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15497936]
NPO98	Leucosceptrum canum	Species	Lamiaceae	Eukaryota	n.a.	aerial part	n.a.	PMID[15524427]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15679315]
NPO9516	Gnetum latifolium	Species	Gnetaceae	Eukaryota	stem bark	Veikabu bridge along the Hiritano highway 40 km from Port Moresby, Papua New Guinea	1998-FEB	PMID[16038553]
NPO25611	Smilax china	Species	Smilacaceae	Eukaryota	stems	n.a.	n.a.	PMID[16252910]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16252923]
NPO6160	Vaccinium oxycoccos	Species	Ericaceae	Eukaryota	n.a.	fruit	n.a.	PMID[16417304]
NPO6522	Polyalthia evecta	Species	Annonaceae	Eukaryota	n.a.	root	n.a.	PMID[16441071]
NPO6522	Polyalthia evecta	Species	Annonaceae	Eukaryota	roots	n.a.	n.a.	PMID[16441071]
NPO29417	Fallopia multiflora	Species	Polygonaceae	Eukaryota	n.a.	root	n.a.	PMID[16564530]
NPO9804	Cinnamosma macrocarpa	Species	Canellaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[17286431]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	cone	n.a.	PMID[17624889]
NPO15401	Theobroma cacao	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18068204]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18611049]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18768384]
NPO33047	lysidice brevicalyx wei	Species	n.a.	Eukaryota	Barks	n.a.	n.a.	PMID[18847246]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	Esuela Tecnica Superior de Ingenieros Agrónomos de Albacete	2007	PMID[19256538]
NPO21036	Celaenodendron mexicanum	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[19299148]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19476340]
NPO12477	Dodonaea viscosa	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19719093]
NPO11917	Asterospicularia laurae	Species	Xeniidae	Eukaryota	n.a.	n.a.	n.a.	PMID[19863101]
NPO28574	Oroxylum indicum	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19948405]
NPO17094	Sinularia depressa	Species	Alcyoniidae	Eukaryota	n.a.	n.a.	n.a.	PMID[20121250]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20826702]
NPO4181	Pseudoalteromonas luteoviolacea	Species	Pseudoalteromonadaceae	Bacteria	n.a.	n.a.	n.a.	PMID[20973551]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	n.a.	seed	n.a.	PMID[21348467]
NPO28219	Euphorbia peplus	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21612217]
NPO13642	Pastinaca sativa	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21800857]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21912858]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	cone	n.a.	PMID[22111577]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	flower	n.a.	PMID[22166201]
NPO26194	Shorea roxburghii	Species	Dipterocarpaceae	Eukaryota	Barks	n.a.	n.a.	PMID[22209731]
NPO12477	Dodonaea viscosa	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22512738]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[22537213]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22537213]
NPO17094	Sinularia depressa	Species	Alcyoniidae	Eukaryota	n.a.	Hainan soft coral	n.a.	PMID[23357636]
NPO28574	Oroxylum indicum	Species	Bignoniaceae	Eukaryota	n.a.	seed	n.a.	PMID[23672042]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23759170]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23790907]
NPO31520	Polygonum multiflorum	Species	Polygonaceae	Eukaryota	roots	n.a.	n.a.	PMID[24499304]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	Stalks	n.a.	n.a.	PMID[24521157]
NPO22796	Cyperus rotundus	Species	Cyperaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24704449]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24948953]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25564559]
NPO13847	Streptomyces avermectinius	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[25611131]
NPO26327	Chaenomeles sinensis	Species	Rosaceae	Eukaryota	Twigs	n.a.	n.a.	PMID[25894905]
NPO22796	Cyperus rotundus	Species	Cyperaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26967731]
NPO28219	Euphorbia peplus	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27203291]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	Peanut Skins	n.a.	n.a.	PMID[28231711]
NPO26327	Chaenomeles sinensis	Species	Rosaceae	Eukaryota	Twigs	n.a.	n.a.	PMID[28358502]
NPO13237	Teucrium yemense	Species	n.a.	n.a.	Aerial Parts	n.a.	n.a.	PMID[28581290]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29154541]
NPO29417	Fallopia multiflora	Species	Polygonaceae	Eukaryota	Roots	n.a.	n.a.	PMID[29359942]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	Seeds	Benedictine Pannonhalma Archabbey, Hungary		PMID[29803478]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31433178]
NPO29417	Fallopia multiflora	Species	Polygonaceae	Eukaryota	Roots	n.a.	n.a.	PMID[31944695]
NPO13847	Streptomyces avermectinius	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[464561]
NPO14685	Swertia franchetiana	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7513747]
NPO14685	Swertia franchetiana	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7561895]
NPO29417	Fallopia multiflora	Species	Polygonaceae	Eukaryota	Roots; Tubers	n.a.	n.a.	PMID[7714535]
NPO11391	Polygonum cuspidatum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[8277318]
NPO20665	Erythrophleum lasianthum	Species	Fabaceae	Eukaryota	Seeds	n.a.	n.a.	PMID[9392877]
NPO15401	Theobroma cacao	Species	Malvaceae	Eukaryota	Root	n.a.	n.a.	Database[FooDB]
NPO13642	Pastinaca sativa	Species	Apiaceae	Eukaryota	Root	n.a.	n.a.	Database[FooDB]
NPO13642	Pastinaca sativa	Species	Apiaceae	Eukaryota	Root Essent. Oil	n.a.	n.a.	Database[FooDB]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.		n.a.	n.a.	Database[FooDB]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	Seed	n.a.	n.a.	Database[FooDB]
NPO22782	Lens culinaris	Species	Fabaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO13642	Pastinaca sativa	Species	Apiaceae	Eukaryota	Roots	n.a.		Database[FooDB]
NPO22782	Lens culinaris	Species	Fabaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO15401	Theobroma cacao	Species	Malvaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	Fruits	n.a.		Database[FooDB]
NPO15401	Theobroma cacao	Species	Malvaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO13642	Pastinaca sativa	Species	Apiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO22782	Lens culinaris	Species	Fabaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO13642	Pastinaca sativa	Species	Apiaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO15401	Theobroma cacao	Species	Malvaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	n.a.	n.a.		Database[FooDB]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO9500	Vitis rotundifolia	Species	Vitaceae	Eukaryota	Fruits	n.a.		Database[FooDB]
NPO22782	Lens culinaris	Species	Fabaceae	Eukaryota	Sprout Seedling	n.a.	n.a.	Database[FooDB]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	Leaf	n.a.	n.a.	Database[FooDB]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	Stem	n.a.	n.a.	Database[FooDB]
NPO13642	Pastinaca sativa	Species	Apiaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO15401	Theobroma cacao	Species	Malvaceae	Eukaryota	Testa	n.a.	n.a.	Database[FooDB]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	Leaf Essent. Oil	n.a.	n.a.	Database[FooDB]
NPO9500	Vitis rotundifolia	Species	Vitaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	Oil	n.a.	n.a.	Database[FooDB]
NPO6160	Vaccinium oxycoccos	Species	Ericaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO15401	Theobroma cacao	Species	Malvaceae	Eukaryota	Petiole	n.a.	n.a.	Database[FooDB]
NPO15401	Theobroma cacao	Species	Malvaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO28024	Rheum palmatum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20715	Astragalus cibarius	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14685	Swertia franchetiana	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13642	Pastinaca sativa	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4897	Veratrum grandiflorum	Species	Melanthiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7132	Smilax glabra	Species	Smilacaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11541	Curcuma xanthorrhiza	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22796	Cyperus rotundus	Species	Cyperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25611	Smilax china	Species	Smilacaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25661	Vatica rassak	Species	Dipterocarpaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO12477	Dodonaea viscosa	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO947	Rauvolfia vomitoria	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28574	Oroxylum indicum	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26327	Chaenomeles sinensis	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22782	Lens culinaris	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11391	Polygonum cuspidatum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15401	Theobroma cacao	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO31520	Polygonum multiflorum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13167	Scutellaria amoena	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7632	Rheum tanguticum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO10915	Heliotropium hirsutum	Species	Heliotropiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14014	Eriocheir sinensis	Species	Varunidae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14304	Physalis alkekengi	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[HerDing]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[MetaboLights]
NPO9500	Vitis rotundifolia	Species	Vitaceae	Eukaryota	Fruits	n.a.		Database[Phenol-Explorer]
NPO13642	Pastinaca sativa	Species	Apiaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO15401	Theobroma cacao	Species	Malvaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO22782	Lens culinaris	Species	Fabaceae	Eukaryota	Seeds	n.a.		Database[Phenol-Explorer]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	Oils	n.a.		Database[Phenol-Explorer]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	Seeds	n.a.		Database[Phenol-Explorer]
NPO6160	Vaccinium oxycoccos	Species	Ericaceae	Eukaryota	Fruits	n.a.		Database[Phenol-Explorer]
NPO9500	Vitis rotundifolia	Species	Vitaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO22796	Cyperus rotundus	Species	Cyperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11541	Curcuma xanthorrhiza	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9516	Gnetum latifolium	Species	Gnetaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13642	Pastinaca sativa	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO947	Rauvolfia vomitoria	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28574	Oroxylum indicum	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11641	Solanum laxum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12477	Dodonaea viscosa	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13167	Scutellaria amoena	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11391	Polygonum cuspidatum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10915	Heliotropium hirsutum	Species	Heliotropiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7632	Rheum tanguticum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28024	Rheum palmatum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20715	Astragalus cibarius	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14685	Swertia franchetiana	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15401	Theobroma cacao	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25661	Vatica rassak	Species	Dipterocarpaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29417	Fallopia multiflora	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22782	Lens culinaris	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4897	Veratrum grandiflorum	Species	Melanthiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14304	Physalis alkekengi	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16857	Hypericum laricifolium	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26327	Chaenomeles sinensis	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25611	Smilax china	Species	Smilacaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14014	Eriocheir sinensis	Species	Varunidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7132	Smilax glabra	Species	Smilacaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15297	Aconitum seravschanicum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO28024	Rheum palmatum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO28574	Oroxylum indicum	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7132	Smilax glabra	Species	Smilacaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO15401	Theobroma cacao	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO30121	Picea glehnll	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO31520	Polygonum multiflorum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO12477	Dodonaea viscosa	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14014	Eriocheir sinensis	Species	Varunidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO29449	Boehmeria nivea	Species	Urticaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO22796	Cyperus rotundus	Species	Cyperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO25611	Smilax china	Species	Smilacaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO11391	Polygonum cuspidatum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO13642	Pastinaca sativa	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO13167	Scutellaria amoena	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7632	Rheum tanguticum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7632	Rheum tanguticum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO28574	Oroxylum indicum	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO22796	Cyperus rotundus	Species	Cyperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO28024	Rheum palmatum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29417	Fallopia multiflora	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO14304	Physalis alkekengi	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO25611	Smilax china	Species	Smilacaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29449	Boehmeria nivea	Species	Urticaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO11391	Polygonum cuspidatum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO7132	Smilax glabra	Species	Smilacaceae	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]
NPO9500	Vitis rotundifolia	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17544	Acacia adunca	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9516	Gnetum latifolium	Species	Gnetaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10688	Flacourtia jangomas	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14395	Lysimachia mauritiana	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27974	Swertia leduci	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14439	Marasmius oreades	Species	Marasmiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14859	Bishovia boliviensis	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO1782	Piper caninum	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11749	Eria mollis	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13523	Neobalanocarpus heimii	Species	Dipterocarpaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11580	Onobrychis arenaria	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22782	Lens culinaris	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO98	Leucosceptrum canum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16857	Hypericum laricifolium	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15640	Sideritis chamaedryfolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11391	Polygonum cuspidatum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8386	Enceliopsis argophylla	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10989	Annona cornifolia	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20715	Astragalus cibarius	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7632	Rheum tanguticum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19969	Dermocybe canaria	Species	Cortinariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11641	Solanum laxum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3964	Calostephane divaricata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15297	Aconitum seravschanicum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15063	Leathesia nana	Species	Chordariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14217	Adansonia grandidieri	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28982	Calliandra confusa	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3214	Lavandula vera	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17169	Adiantum lunulatum	Species	Pteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16611	Alstonia spathulata	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13716	Aconitum tasiromontanum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16590	Cytophaga hutchinsoni	Species	Cytophagaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO17786	Marrubium anisodon	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13847	Streptomyces avermectinius	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO21542	Vernonia menthaefolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11202	Maytenus imbricata	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13642	Pastinaca sativa	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4181	Pseudoalteromonas luteoviolacea	Species	Pseudoalteromonadaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO13403	Gadus morhua callarias	Species	Gadidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2631	Aster sedifolius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17942	Wikstroemia retusa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23882	Cremastosperma microcarpum	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7562	Premna odorata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16089	Dumortiera hirsuta	Species	Dumortieraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6522	Polyalthia evecta	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2507	Rumex maritimus	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17702	Astragalus sempervirens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10417	Ipomoea digitata	Species	Convolvulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26194	Shorea roxburghii	Species	Dipterocarpaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25661	Vatica rassak	Species	Dipterocarpaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15659	Zanthoxylum tetraspermum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28219	Euphorbia peplus	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16493	Nasutitermes ephratae	Species	Termitoidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17472	Drechslera avenae	Species	Pleosporaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22796	Cyperus rotundus	Species	Cyperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17242	Laurencia spectabilis	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16731	Phoebe pittieri	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12703	Eucalyptus melliodora	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15467	Hedysarum connatum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26327	Chaenomeles sinensis	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11538	Salvia syriaca	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12477	Dodonaea viscosa	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21164	Veratrum dahuricum	Species	Melanthiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13421	Sphaerella laricina	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO11541	Curcuma xanthorrhiza	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12252	Psychotria stachyoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25611	Smilax china	Species	Smilacaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO986	Rattus rattus	Species	Muridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO947	Rauvolfia vomitoria	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20665	Erythrophleum lasianthum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14412	Aphyllocladus denticulatus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28310	Phacelocarpus labillardieri	Species	Phacelocarpaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4325	Blastochloris viridis	Species	Hyphomicrobiaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO18859	Carica pennata	Species	Caricaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9448	Dictyopteris australis	Species	Dictyotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO624	Isaria fumosorosea	Species	Cordycipitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11917	Asterospicularia laurae	Species	Xeniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15401	Theobroma cacao	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17865	Amathia pinnata	Species	Vesiculariidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28574	Oroxylum indicum	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7132	Smilax glabra	Species	Smilacaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13237	Teucrium yemense	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO17130	Hylotelephium telephium	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13407	Goniothalamus malayanus	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25426	Arachis hypogaea	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO2906	Leptactina senegambica	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17400	Peltostigma guatemalense	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1501	Senecio subdentatus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28024	Rheum palmatum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17094	Sinularia depressa	Species	Alcyoniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7819.1	Epichloe festucae var. lolii	Varieties	Clavicipitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15227	Helipterum roseum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14104	Dendriopoterium menendezii	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6160	Vaccinium oxycoccos	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9406	Cotula filicula	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8506	Cotyledon secunda	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14685	Swertia franchetiana	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22526	Justicia secunda	Species	Acanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9752	Miliusa velutina	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21724	Sabina sargentii	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO5650	Eupatorium glutinosum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21036	Celaenodendron mexicanum	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO18022	Naucleopsis ternstroemiiflora	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10915	Heliotropium hirsutum	Species	Heliotropiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14014	Eriocheir sinensis	Species	Varunidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9996	Garcinia quaesita	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6881	Caragana aurantiaca	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13167	Scutellaria amoena	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14697	Ustilago esculenta	Species	Ustilaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15803	Artemisia assoana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13334	Senecio toluccanus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14304	Physalis alkekengi	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23676	Fleroya rubrostipulata	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28114	Peltophorum adnatum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14520	Bassia muricata	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28129	Reticulitermes virginicus	Species	Termitoidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12079	Dysoxylum cumingianum	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9804	Cinnamosma macrocarpa	Species	Canellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4345	Caulocystis cephalornithos	Species	Sargassaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17633	Viguiera incana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15552	Anacystis montana	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO29449	Boehmeria nivea	Species	Urticaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11736	Bulla striata	Species	Bullidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4897	Veratrum grandiflorum	Species	Melanthiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21918	Aconitum heterophylloides	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2198	Rivularia firma	Species	Rivulariaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO16369	Lepisorus ussuriensis	Species	Polypodiaceae	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
NPO15401	NPC303422	n.a.	n.a.	0.1	n.a.	n.a.	mg/100g of FW	Database [Phenol-Explorer]
NPO9500	NPC303422	n.a.	n.a.	0.055	n.a.	n.a.	mg/100mL	Database [Phenol-Explorer]
NPO9500	NPC303422	n.a.	n.a.	0.195	n.a.	n.a.	mg/100mL	Database [Phenol-Explorer]
NPO25426	NPC303422	n.a.	Oils	0.01091	n.a.	n.a.	mg/100g of FW	Database [Phenol-Explorer]
NPO22782	NPC303422	n.a.	Seeds	0.09	n.a.	n.a.	mg/100g of FW	Database [Phenol-Explorer]

☑ 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
EC50	2
GI50	53
IC50	18
Others	37
Potency	10

Activity Type	# Activity
Cell Line	54
CELL-LINE	4
Individual Protein	15
NON-MOLECULAR	4
Organism	29
Others	9
Protein Family	1
SINGLE PROTEIN	2
Uncleic Acid	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	13500.0	nM	PMID[476401]
NPT48	Individual Protein	Lysine-specific demethylase 4D-like	Homo sapiens	Potency	=	31622.8	nM	PMID[476410]
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	39810.7	nM	PMID[476410]
NPT282	Individual Protein	MAP kinase ERK2	Homo sapiens	Potency	=	28183.8	nM	PMID[476410]
NPT60	Individual Protein	Lysosomal alpha-glucosidase	Homo sapiens	Potency	=	35481.3	nM	PMID[476410]
NPT59	Individual Protein	DNA polymerase beta	Homo sapiens	Potency	=	19952.6	nM	PMID[476410]
NPT4	Individual Protein	Large T antigen	Simian virus 40	IC50	n.a.	11180.0	nM	PMID[476411]
NPT484	Individual Protein	Luciferin 4-monooxygenase	Photinus pyralis	Potency	n.a.	19011.5	nM	PMID[476410]
NPT462	Individual Protein	Sucrase-isomaltase	Rattus norvegicus	IC50	>	400000.0	nM	PMID[476413]
NPT462	Individual Protein	Sucrase-isomaltase	Rattus norvegicus	Inhibition	=	48.0	%	PMID[476413]
NPT368	Cell Line	SN12C	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT367	Cell Line	MDA-N	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT369	Cell Line	ACHN	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT371	Cell Line	UO-31	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT372	Cell Line	HOP-92	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT116	Cell Line	HL-60	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT90	Cell Line	DU-145	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT374	Cell Line	SF-539	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT111	Cell Line	K562	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT376	Cell Line	A498	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT379	Cell Line	HOP-62	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT380	Cell Line	U-251	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT383	Cell Line	SNB-19	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT385	Cell Line	SR	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT384	Cell Line	TK-10	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT323	Cell Line	SW-620	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT455	Cell Line	NCI-H522	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT386	Cell Line	KM12	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT389	Cell Line	RPMI-8226	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT457	Cell Line	BT-549	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT81	Cell Line	A549	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT392	Cell Line	SNB-75	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT148	Cell Line	HCT-15	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT393	Cell Line	HCT-116	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT83	Cell Line	MCF7	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT394	Cell Line	EKVX	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT306	Cell Line	PC-3	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT398	Cell Line	UACC-62	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT308	Cell Line	CAKI-1	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT399	Cell Line	SF-295	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT402	Cell Line	Hs-578T	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT401	Cell Line	786-0	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT403	Cell Line	UACC-257	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT139	Cell Line	HT-29	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT406	Cell Line	RXF 393	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[476414]
NPT105	Individual Protein	Muscleblind-like protein 1	Homo sapiens	Potency	n.a.	10000.0	nM	PMID[476410]
NPT49	Individual Protein	DNA-(apurinic or apyrimidinic site) lyase	Homo sapiens	Potency	n.a.	35481.3	nM	PMID[476410]
NPT1166	Individual Protein	Angiotensin-converting enzyme	Homo sapiens	Inhibition	=	8.9	%	PMID[476417]
NPT2	Others	Unspecified		IC50	=	200000.0	nM	PMID[476400]
NPT2	Others	Unspecified		Relative IC50	=	0.37	n.a.	PMID[476400]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	EC50	=	4700.0	nM	PMID[476402]
NPT1	Others	Radical scavenging activity		IC50	=	198000.0	nM	PMID[476403]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	19100.0	nM	PMID[476403]
NPT35	Others	n.a.		Ratio	=	0.54	n.a.	PMID[476404]
NPT2	Others	Unspecified		IC50	=	200.0	ug.mL-1	PMID[476405]
NPT1284	Protein Family	Protein kinase C (PKC)	Rattus norvegicus	IC50	=	200.0	ug.mL-1	PMID[476405]
NPT20967	CELL-LINE	Platelet	n.a.	IC50	=	32.55	ug	PMID[476406]
NPT20967	CELL-LINE	Platelet	n.a.	IC50	=	49.27	ug	PMID[476406]
NPT20967	CELL-LINE	Platelet	n.a.	IC50	=	57.21	ug	PMID[476406]
NPT20967	CELL-LINE	Platelet	n.a.	IC50	=	84.9	ug	PMID[476406]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	29.0	%	PMID[476407]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	100.0	%	PMID[476407]
NPT2	Others	Unspecified		Inhibition	=	62.0	%	PMID[476409]
NPT2	Others	Unspecified		EC50	=	6000.0	nM	PMID[476409]
NPT2	Others	Unspecified		IC50	=	7700.0	nM	PMID[476411]
NPT536	Uncleic Acid	microRNA 21	Homo sapiens	Potency	=	4645.1	nM	PMID[476410]
NPT671	Individual Protein	Acidic alpha-glucosidase	Rattus norvegicus	IC50	>	400000.0	nM	PMID[476413]
NPT671	Individual Protein	Acidic alpha-glucosidase	Rattus norvegicus	Inhibition	=	38.2	%	PMID[476413]
NPT68	Individual Protein	Aldose reductase	Rattus norvegicus	IC50	=	100000.0	nM	PMID[476413]
NPT953	Organism	Diplodia seriata	Diplodia seriata	GI	=	24.0	%	PMID[476415]
NPT952	Organism	Lasiodiplodia theobromae	Lasiodiplodia theobromae	GI	=	24.0	%	PMID[476415]
NPT1318	Organism	Diplodia mutila	Diplodia mutila	GI	=	24.0	%	PMID[476415]
NPT1319	Organism	Neofusicoccum luteum	Neofusicoccum luteum	GI	=	14.0	%	PMID[476415]
NPT1320	Organism	Neofusicoccum parvum	Neofusicoccum parvum	GI	=	14.0	%	PMID[476415]
NPT950	Organism	Botryosphaeria dothidea	Botryosphaeria dothidea	GI	=	14.0	%	PMID[476415]
NPT617	Organism	Danio rerio	Danio rerio	NOAEL	=	100.0	uM	PMID[476418]
NPT617	Organism	Danio rerio	Danio rerio	LOAEL	=	1000.0	uM	PMID[476418]
NPT617	Organism	Danio rerio	Danio rerio	LC50	=	114000.0	nM	PMID[476418]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	5.17	%	PMID[476419]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Hit score	=	0.1094	n.a.	PMID[476420]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Hit score	=	0.06165	n.a.	PMID[476420]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	20.51	%	PMID[476422]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	0.24	%	PMID[476423]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.15	%	PMID[476424]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	0.0	%	PMID[476425]
NPT20	Organism	Candida albicans	Candida albicans	Inhibition	=	3.19	%	PMID[476426]
NPT85	Organism	Filobasidiella neoformans	Cryptococcus neoformans	Inhibition	=	-0.2	%	PMID[476426]
NPT19	Organism	Escherichia coli	Escherichia coli	Inhibition	=	8.13	%	PMID[476426]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	Inhibition	=	6.92	%	PMID[476426]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	=	7.23	%	PMID[476426]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	Inhibition	=	8.91	%	PMID[476426]
NPT2922	Organism	Staphylococcus aureus subsp. aureus	Staphylococcus aureus subsp. aureus	Inhibition	=	5.5	%	PMID[476426]
NPT2	Others	Unspecified		IC50	>	100000.0	nM	PMID[476427]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	20000.0	nM	PMID[476428]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	19952.62	nM	PMID[476428]

☑ 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 NPC303422 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	408
0.1-0.2	1627
0.2-0.3	4874
0.3-0.4	11093
0.4-0.5	6959
0.5-0.6	5166
0.6-0.7	7609
0.7-0.8	4059
0.8-0.85	670
0.85-0.9	153
0.9-0.95	60
0.95-1	19

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC85799
1.0	High Similarity	NPC26080
1.0	High Similarity	NPC165686
0.9921	High Similarity	NPC115022
0.9921	High Similarity	NPC294166
0.992	High Similarity	NPC121376
0.9843	High Similarity	NPC130496
0.9843	High Similarity	NPC188555
0.9766	High Similarity	NPC238243
0.976	High Similarity	NPC218003
0.969	High Similarity	NPC242028
0.969	High Similarity	NPC3293
0.969	High Similarity	NPC40664
0.969	High Similarity	NPC197723
0.969	High Similarity	NPC203230
0.969	High Similarity	NPC165482
0.969	High Similarity	NPC138350
0.9615	High Similarity	NPC124149
0.9615	High Similarity	NPC65530
0.9615	High Similarity	NPC59324
0.9542	High Similarity	NPC212770
0.9542	High Similarity	NPC98777
0.9398	High Similarity	NPC273932
0.9398	High Similarity	NPC257095
0.9398	High Similarity	NPC469661
0.9398	High Similarity	NPC89686
0.9398	High Similarity	NPC210192
0.9328	High Similarity	NPC475084
0.9328	High Similarity	NPC469559
0.9328	High Similarity	NPC189115
0.9308	High Similarity	NPC49074
0.9302	High Similarity	NPC475067
0.9286	High Similarity	NPC12308
0.9259	High Similarity	NPC473044
0.9259	High Similarity	NPC252169
0.9242	High Similarity	NPC164857
0.9231	High Similarity	NPC162093
0.9191	High Similarity	NPC138227
0.9191	High Similarity	NPC168579
0.9191	High Similarity	NPC25292
0.9191	High Similarity	NPC469313
0.9191	High Similarity	NPC473045
0.9191	High Similarity	NPC76176
0.9173	High Similarity	NPC87777
0.9173	High Similarity	NPC262328
0.9173	High Similarity	NPC134260
0.9167	High Similarity	NPC470236
0.916	High Similarity	NPC132895
0.9124	High Similarity	NPC475096
0.9118	High Similarity	NPC37793
0.9091	High Similarity	NPC13745
0.9091	High Similarity	NPC48863
0.9091	High Similarity	NPC251981
0.9084	High Similarity	NPC299144
0.9077	High Similarity	NPC262606
0.9058	High Similarity	NPC125755
0.9058	High Similarity	NPC190714
0.9058	High Similarity	NPC99515
0.9044	High Similarity	NPC472353
0.903	High Similarity	NPC470413
0.903	High Similarity	NPC138738
0.9023	High Similarity	NPC185778
0.9015	High Similarity	NPC69513
0.9015	High Similarity	NPC215833
0.9008	High Similarity	NPC469698
0.9008	High Similarity	NPC473412
0.9	High Similarity	NPC248355
0.8993	High Similarity	NPC39657
0.8993	High Similarity	NPC15538
0.8993	High Similarity	NPC473480
0.8993	High Similarity	NPC227902
0.8986	High Similarity	NPC161700
0.8986	High Similarity	NPC277867
0.8955	High Similarity	NPC25695
0.8955	High Similarity	NPC172818
0.8947	High Similarity	NPC170694
0.8947	High Similarity	NPC107478
0.8947	High Similarity	NPC187194
0.8947	High Similarity	NPC476411
0.8939	High Similarity	NPC470270
0.8929	High Similarity	NPC478237
0.8929	High Similarity	NPC280945
0.8929	High Similarity	NPC175976
0.8923	High Similarity	NPC302378
0.8923	High Similarity	NPC40377
0.8905	High Similarity	NPC139976
0.8905	High Similarity	NPC84207
0.8905	High Similarity	NPC49542
0.8905	High Similarity	NPC5262
0.8905	High Similarity	NPC230718
0.8905	High Similarity	NPC5253
0.8905	High Similarity	NPC145319
0.8905	High Similarity	NPC472714
0.8905	High Similarity	NPC128337
0.8897	High Similarity	NPC106944
0.8889	High Similarity	NPC198734
0.8889	High Similarity	NPC195196
0.8889	High Similarity	NPC469412
0.8889	High Similarity	NPC269242
0.8881	High Similarity	NPC79957
0.8865	High Similarity	NPC55158
0.8865	High Similarity	NPC286235
0.8865	High Similarity	NPC106138
0.8865	High Similarity	NPC51328
0.8864	High Similarity	NPC9912
0.8855	High Similarity	NPC166040
0.8855	High Similarity	NPC307110
0.8832	High Similarity	NPC108674
0.8832	High Similarity	NPC186406
0.8824	High Similarity	NPC292487
0.8815	High Similarity	NPC199459
0.8815	High Similarity	NPC166180
0.8815	High Similarity	NPC177035
0.8815	High Similarity	NPC104167
0.8815	High Similarity	NPC52277
0.881	High Similarity	NPC469708
0.881	High Similarity	NPC60589
0.8806	High Similarity	NPC87696
0.8797	High Similarity	NPC7903
0.8797	High Similarity	NPC160991
0.8797	High Similarity	NPC184447
0.8797	High Similarity	NPC16208
0.8797	High Similarity	NPC35932
0.8794	High Similarity	NPC130449
0.8794	High Similarity	NPC248132
0.8788	High Similarity	NPC472024
0.8788	High Similarity	NPC80600
0.8777	High Similarity	NPC472713
0.8777	High Similarity	NPC472712
0.8777	High Similarity	NPC187774
0.8777	High Similarity	NPC292443
0.8777	High Similarity	NPC225445
0.8777	High Similarity	NPC118385
0.8777	High Similarity	NPC473046
0.8768	High Similarity	NPC157816
0.876	High Similarity	NPC287429
0.8759	High Similarity	NPC210478
0.8741	High Similarity	NPC61946
0.8741	High Similarity	NPC164787
0.8741	High Similarity	NPC473621
0.8731	High Similarity	NPC25821
0.8731	High Similarity	NPC215037
0.8722	High Similarity	NPC30043
0.8722	High Similarity	NPC166168
0.8722	High Similarity	NPC65942
0.8722	High Similarity	NPC469613
0.8722	High Similarity	NPC472597
0.8722	High Similarity	NPC248307
0.8722	High Similarity	NPC103799
0.8722	High Similarity	NPC469625
0.8714	High Similarity	NPC226722
0.8712	High Similarity	NPC190629
0.8712	High Similarity	NPC3439
0.8712	High Similarity	NPC222004
0.8712	High Similarity	NPC97326
0.8712	High Similarity	NPC210623
0.8712	High Similarity	NPC470258
0.8712	High Similarity	NPC285339
0.8712	High Similarity	NPC270849
0.8712	High Similarity	NPC273295
0.8712	High Similarity	NPC226788
0.8712	High Similarity	NPC26653
0.8712	High Similarity	NPC218856
0.8712	High Similarity	NPC202582
0.8705	High Similarity	NPC185307
0.8705	High Similarity	NPC46092
0.8705	High Similarity	NPC116922
0.8705	High Similarity	NPC81638
0.8705	High Similarity	NPC478239
0.8705	High Similarity	NPC470950
0.8692	High Similarity	NPC167571
0.8692	High Similarity	NPC207179
0.8692	High Similarity	NPC278552
0.8681	High Similarity	NPC169404
0.8681	High Similarity	NPC59692
0.8681	High Similarity	NPC53587
0.8681	High Similarity	NPC233467
0.8681	High Similarity	NPC21902
0.8681	High Similarity	NPC176186
0.8676	High Similarity	NPC16435
0.8676	High Similarity	NPC269091
0.8676	High Similarity	NPC306441
0.8676	High Similarity	NPC302701
0.8672	High Similarity	NPC226712
0.8671	High Similarity	NPC472710
0.8671	High Similarity	NPC472709
0.8667	High Similarity	NPC310854
0.8667	High Similarity	NPC35731
0.8662	High Similarity	NPC270751
0.8662	High Similarity	NPC93924
0.8657	High Similarity	NPC185604
0.8657	High Similarity	NPC78770
0.8657	High Similarity	NPC252833
0.8657	High Similarity	NPC261619
0.8657	High Similarity	NPC201587
0.8657	High Similarity	NPC219876
0.8657	High Similarity	NPC61477
0.8657	High Similarity	NPC470752
0.8657	High Similarity	NPC126029
0.8657	High Similarity	NPC15658

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 NPC303422 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	333
0.1-0.2	827
0.2-0.3	1951
0.3-0.4	2823
0.4-0.5	1638
0.5-0.6	959
0.6-0.7	523
0.7-0.8	92
0.8-0.85	3
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8672	High Similarity	NPD1091	Approved
0.8657	High Similarity	NPD1612	Clinical (unspecified phase)
0.8657	High Similarity	NPD1613	Approved
0.8472	Intermediate Similarity	NPD1653	Approved
0.8433	Intermediate Similarity	NPD3027	Phase 3
0.8358	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.8284	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.8146	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8106	Intermediate Similarity	NPD1610	Phase 2
0.8088	Intermediate Similarity	NPD4908	Phase 1
0.8077	Intermediate Similarity	NPD1548	Phase 1
0.8028	Intermediate Similarity	NPD7266	Discontinued
0.7971	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7911	Intermediate Similarity	NPD7054	Approved
0.7883	Intermediate Similarity	NPD2861	Phase 2
0.7862	Intermediate Similarity	NPD7074	Phase 3
0.7862	Intermediate Similarity	NPD7472	Approved
0.7848	Intermediate Similarity	NPD3818	Discontinued
0.7812	Intermediate Similarity	NPD6797	Phase 2
0.7764	Intermediate Similarity	NPD6559	Discontinued
0.7764	Intermediate Similarity	NPD7251	Discontinued
0.7755	Intermediate Similarity	NPD5058	Phase 3
0.7721	Intermediate Similarity	NPD2983	Phase 2
0.7721	Intermediate Similarity	NPD2982	Phase 2
0.7716	Intermediate Similarity	NPD7808	Phase 3
0.7716	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7671	Intermediate Similarity	NPD6674	Discontinued
0.7647	Intermediate Similarity	NPD37	Approved
0.7647	Intermediate Similarity	NPD2981	Phase 2
0.7643	Intermediate Similarity	NPD4625	Phase 3
0.7628	Intermediate Similarity	NPD6234	Discontinued
0.7625	Intermediate Similarity	NPD7228	Approved
0.7613	Intermediate Similarity	NPD4965	Approved
0.7613	Intermediate Similarity	NPD4967	Phase 2
0.7613	Intermediate Similarity	NPD4966	Approved
0.7613	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7612	Intermediate Similarity	NPD1357	Approved
0.7597	Intermediate Similarity	NPD8455	Phase 2
0.7591	Intermediate Similarity	NPD4749	Approved
0.7589	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7569	Intermediate Similarity	NPD4538	Approved
0.7569	Intermediate Similarity	NPD4536	Approved
0.7569	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD1652	Phase 2
0.7532	Intermediate Similarity	NPD1934	Approved
0.7532	Intermediate Similarity	NPD7199	Phase 2
0.7517	Intermediate Similarity	NPD5588	Approved
0.7517	Intermediate Similarity	NPD5960	Phase 3
0.7516	Intermediate Similarity	NPD4380	Phase 2
0.75	Intermediate Similarity	NPD3018	Phase 2
0.7484	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7481	Intermediate Similarity	NPD7843	Approved
0.7465	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7445	Intermediate Similarity	NPD3705	Approved
0.7444	Intermediate Similarity	NPD7157	Approved
0.7442	Intermediate Similarity	NPD2684	Approved
0.744	Intermediate Similarity	NPD1242	Phase 1
0.7422	Intermediate Similarity	NPD968	Approved
0.7391	Intermediate Similarity	NPD6166	Phase 2
0.7391	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7375	Intermediate Similarity	NPD3787	Discontinued
0.7364	Intermediate Similarity	NPD290	Approved
0.7361	Intermediate Similarity	NPD4060	Phase 1
0.7342	Intermediate Similarity	NPD7075	Discontinued
0.7329	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7325	Intermediate Similarity	NPD5402	Approved
0.7319	Intermediate Similarity	NPD422	Phase 1
0.731	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD5124	Phase 1
0.7299	Intermediate Similarity	NPD6516	Phase 2
0.7299	Intermediate Similarity	NPD5846	Approved
0.7297	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7292	Intermediate Similarity	NPD6233	Phase 2
0.7261	Intermediate Similarity	NPD2801	Approved
0.7248	Intermediate Similarity	NPD1549	Phase 2
0.7237	Intermediate Similarity	NPD1511	Approved
0.7237	Intermediate Similarity	NPD7213	Phase 3
0.7237	Intermediate Similarity	NPD7212	Phase 2
0.7229	Intermediate Similarity	NPD7240	Approved
0.7219	Intermediate Similarity	NPD6190	Approved
0.7215	Intermediate Similarity	NPD3817	Phase 2
0.7214	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD7097	Phase 1
0.7208	Intermediate Similarity	NPD5403	Approved
0.7195	Intermediate Similarity	NPD3751	Discontinued
0.7192	Intermediate Similarity	NPD4340	Discontinued
0.719	Intermediate Similarity	NPD7447	Phase 1
0.7185	Intermediate Similarity	NPD6671	Approved
0.7183	Intermediate Similarity	NPD6584	Phase 3
0.7179	Intermediate Similarity	NPD4675	Approved
0.7179	Intermediate Similarity	NPD4678	Approved
0.7174	Intermediate Similarity	NPD5126	Approved
0.7174	Intermediate Similarity	NPD5125	Phase 3
0.7169	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD8651	Approved
0.7162	Intermediate Similarity	NPD4108	Discontinued
0.7153	Intermediate Similarity	NPD7095	Approved
0.7152	Intermediate Similarity	NPD4628	Phase 3
0.7152	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD2231	Phase 2
0.7143	Intermediate Similarity	NPD1512	Approved
0.7143	Intermediate Similarity	NPD2235	Phase 2
0.7143	Intermediate Similarity	NPD228	Approved
0.7126	Intermediate Similarity	NPD7685	Pre-registration
0.7125	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7103	Intermediate Similarity	NPD6798	Discontinued
0.7097	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD4978	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD6801	Discontinued
0.7078	Intermediate Similarity	NPD5401	Approved
0.7078	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD5735	Approved
0.7063	Intermediate Similarity	NPD3882	Suspended
0.7063	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD5844	Phase 1
0.7044	Intermediate Similarity	NPD2978	Approved
0.7044	Intermediate Similarity	NPD2977	Approved
0.7044	Intermediate Similarity	NPD7819	Suspended
0.7041	Intermediate Similarity	NPD8312	Approved
0.7041	Intermediate Similarity	NPD8313	Approved
0.7039	Intermediate Similarity	NPD3892	Phase 2
0.7039	Intermediate Similarity	NPD3750	Approved
0.7039	Intermediate Similarity	NPD4535	Phase 3
0.7037	Intermediate Similarity	NPD5283	Phase 1
0.7027	Intermediate Similarity	NPD6653	Approved
0.7025	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD6799	Approved
0.7007	Intermediate Similarity	NPD1558	Phase 1
0.7	Intermediate Similarity	NPD6099	Approved
0.7	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD1551	Phase 2
0.7	Intermediate Similarity	NPD6100	Approved
0.7	Intermediate Similarity	NPD6374	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD2677	Approved
0.6972	Remote Similarity	NPD6582	Phase 2
0.6972	Remote Similarity	NPD6583	Phase 3
0.6972	Remote Similarity	NPD3685	Discontinued
0.6963	Remote Similarity	NPD5535	Approved
0.6959	Remote Similarity	NPD6355	Discontinued
0.6954	Remote Similarity	NPD3540	Phase 1
0.6954	Remote Similarity	NPD5763	Approved
0.6954	Remote Similarity	NPD5762	Approved
0.6939	Remote Similarity	NPD4062	Phase 3
0.6937	Remote Similarity	NPD1465	Phase 2
0.6933	Remote Similarity	NPD1510	Phase 2
0.6933	Remote Similarity	NPD7033	Discontinued
0.6928	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD3225	Approved
0.6918	Remote Similarity	NPD7411	Suspended
0.6918	Remote Similarity	NPD3180	Approved
0.6918	Remote Similarity	NPD3179	Approved
0.6908	Remote Similarity	NPD2424	Discontinued
0.6906	Remote Similarity	NPD1182	Approved
0.6903	Remote Similarity	NPD4357	Discontinued
0.6899	Remote Similarity	NPD6055	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD3620	Phase 2
0.6892	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD5837	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD2238	Phase 2
0.6892	Remote Similarity	NPD4140	Approved
0.689	Remote Similarity	NPD6959	Discontinued
0.6887	Remote Similarity	NPD2796	Approved
0.6887	Remote Similarity	NPD3454	Phase 3
0.6887	Remote Similarity	NPD3539	Phase 1
0.6883	Remote Similarity	NPD5307	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD6842	Approved
0.6879	Remote Similarity	NPD3496	Discontinued
0.6879	Remote Similarity	NPD6841	Approved
0.6879	Remote Similarity	NPD6843	Phase 3
0.6863	Remote Similarity	NPD3060	Approved
0.6859	Remote Similarity	NPD4123	Phase 3
0.6859	Remote Similarity	NPD3536	Discontinued
0.6857	Remote Similarity	NPD5585	Approved
0.6857	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6846	Remote Similarity	NPD291	Approved
0.6846	Remote Similarity	NPD230	Phase 1
0.6842	Remote Similarity	NPD2029	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD1375	Discontinued
0.6842	Remote Similarity	NPD1358	Approved
0.6835	Remote Similarity	NPD5536	Phase 2
0.6831	Remote Similarity	NPD1535	Discovery
0.6818	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6816	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD1778	Approved
0.68	Remote Similarity	NPD3052	Approved
0.68	Remote Similarity	NPD3054	Approved
0.68	Remote Similarity	NPD9365	Approved
0.6792	Remote Similarity	NPD4005	Discontinued
0.6786	Remote Similarity	NPD1894	Discontinued
0.6783	Remote Similarity	NPD1608	Approved
0.6783	Remote Similarity	NPD1481	Phase 2
0.6776	Remote Similarity	NPD6032	Approved
0.677	Remote Similarity	NPD3382	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