NPASS Compound

Structure

Physi-Chem Properties

Molecular Weight:	166.06
Volume:	171.489
LogP:	1.244
LogD:	1.318
LogS:	-1.517
# Rotatable Bonds:	2
TPSA:	46.53
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	1
# Heavy Atoms:	3

MedChem Properties

QED Drug-Likeness Score:	0.679
Synthetic Accessibility Score:	1.579
Fsp3:	0.222
Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Accepted
GSK Rule:	Accepted
BMS Rule:	0
Golden Triangle Rule:	Rejected
Chelating Alert:	1
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-4.501
MDCK Permeability:	1.8226091924589127e-05
Pgp-inhibitor:	0.001
Pgp-substrate:	0.014
Human Intestinal Absorption (HIA):	0.006
20% Bioavailability (F20%):	0.003
30% Bioavailability (F30%):	0.242

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.506
Plasma Protein Binding (PPB):	76.92346954345703%
Volume Distribution (VD):	0.774
Pgp-substrate:	23.608354568481445%

ADMET: Metabolism

CYP1A2-inhibitor:	0.945
CYP1A2-substrate:	0.934
CYP2C19-inhibitor:	0.387
CYP2C19-substrate:	0.262
CYP2C9-inhibitor:	0.158
CYP2C9-substrate:	0.859
CYP2D6-inhibitor:	0.113
CYP2D6-substrate:	0.826
CYP3A4-inhibitor:	0.11
CYP3A4-substrate:	0.335

ADMET: Excretion

Clearance (CL):	9.113
Half-life (T1/2):	0.901

ADMET: Toxicity

hERG Blockers:	0.036
Human Hepatotoxicity (H-HT):	0.029
Drug-inuced Liver Injury (DILI):	0.383
AMES Toxicity:	0.117
Rat Oral Acute Toxicity:	0.06
Maximum Recommended Daily Dose:	0.042
Skin Sensitization:	0.187
Carcinogencity:	0.401
Eye Corrosion:	0.884
Eye Irritation:	0.99
Respiratory Toxicity:	0.1

Download Data

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

Natural Product: NPC32163

Natural Product ID:	NPC32163
*Common Name:**	Apocynin
IUPAC Name:	1-(4-hydroxy-3-methoxyphenyl)ethanone
Synonyms:	Acetovanillone; Apocynin
Standard InCHIKey:	DFYRUELUNQRZTB-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
SMILES:	CC(=O)c1ccc(c(c1)OC)O
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL346919
PubChem CID:	2214
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0004603] Organic oxygen compounds [CHEMONTID:0000323] Organooxygen compounds [CHEMONTID:0001831] Carbonyl compounds [CHEMONTID:0000118] Ketones [CHEMONTID:0003670] Aryl ketones [CHEMONTID:0004296] Phenylketones [CHEMONTID:0004298] Alkyl-phenylketones

*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
NPO8680	Polypodium niponicum	Species	Polypodiaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/S0031-9422(00)80275-7]
NPO27831	Phakellia flabellata	Species	Bubaridae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1021/jo00445a028]
NPO14417	Iris tectorum	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10075762]
NPO8809	Cynanchum wilfordii	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10217732]
NPO30270	Cordyceps sinensis	Species	Cordycipitaceae	Eukaryota	n.a.	mycelium	n.a.	PMID[10423860]
NPO29042	Vincetoxicum atratum	Species	Apocynaceae	Eukaryota	Roots	n.a.	n.a.	PMID[11374953]
NPO21361	Anastatica hierochuntica	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12643908]
NPO28107	Penicillium expansum	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15056914]
NPO30241	Picrorhiza scrophulariiflora	Species	Plantaginaceae	Eukaryota	n.a.	root	n.a.	PMID[15133218]
NPO28107	Penicillium expansum	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15270557]
NPO11597	Stellaria dichotoma	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15387643]
NPO30241	Picrorhiza scrophulariiflora	Species	Plantaginaceae	Eukaryota	n.a.	root	n.a.	PMID[15706916]
NPO30270	Cordyceps sinensis	Species	Cordycipitaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15863936]
NPO11597	Stellaria dichotoma	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16309326]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16499335]
NPO626	Indigofera tinctoria	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16644212]
NPO280	Dysidea chlorea	Species	Dysideidae	Eukaryota	n.a.	Okinawan	n.a.	PMID[16872148]
NPO27850	Trichilia catigua	Species	Meliaceae	Eukaryota	n.a.	bark	n.a.	PMID[18020420]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota	rhizomes	n.a.	n.a.	PMID[18177011]
NPO2421	Picea glauca	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18636777]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19271742]
NPO28574	Oroxylum indicum	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19948405]
NPO21361	Anastatica hierochuntica	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20189399]
NPO28107	Penicillium expansum	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20415462]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20590154]
NPO30270	Cordyceps sinensis	Species	Cordycipitaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21848266]
NPO30270	Cordyceps sinensis	Species	Cordycipitaceae	Eukaryota	n.a.	mycelium	n.a.	PMID[21848266]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	roots	Whitessence Srl, Viterbo, Italy	2005-OCT	PMID[21954959]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	n.a.	root	n.a.	PMID[21954959]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	n.a.	seed	n.a.	PMID[23497864]
NPO28574	Oroxylum indicum	Species	Bignoniaceae	Eukaryota	n.a.	seed	n.a.	PMID[23672042]
NPO28107	Penicillium expansum	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24024763]
NPO30241	Picrorhiza scrophulariiflora	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24035096]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	Roots	n.a.	n.a.	PMID[24054487]
NPO55	Croton urucurana	Species	Euphorbiaceae	Eukaryota	n.a.	leaf	n.a.	PMID[24354204]
NPO55	Croton urucurana	Species	Euphorbiaceae	Eukaryota	n.a.	twig	n.a.	PMID[24354204]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	roots	n.a.	n.a.	PMID[24412339]
NPO14417	Iris tectorum	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24433009]
NPO40058	Camarops sp.	Species	Boliniaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24588269]
NPO55	Croton urucurana	Species	Euphorbiaceae	Eukaryota	Latex	n.a.	n.a.	PMID[26561866]
NPO8809	Cynanchum wilfordii	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26716755]
NPO27620	Pteris cretica	Species	Pteridaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28006909]
NPO14417	Iris tectorum	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28032759]
NPO691	Tarchonanthus camphoratus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29244495]
NPO2722	Humulus japonicus	Species	Cannabaceae	Eukaryota	Aerial Parts	n.a.	n.a.	PMID[29254897]
NPO284	Albizia procera	Species	Fabaceae	Eukaryota	Bark	n.a.	n.a.	PMID[30520635]
NPO4554	Isatis tinctoria	Species	Brassicaceae	Eukaryota	Roots	n.a.	n.a.	PMID[32004936]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	DingXi, GanSu, China	early autumn (from August to the beginning of September	PMID[32545196]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	LanZhou, GanSu, China	early autumn (from August to the beginning of September	PMID[32545196]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	20 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	30 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	70 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	40 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	80 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	50 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	90 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	60 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	Maturation	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	10 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	20 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	30 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	40 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	50 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	60 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	70 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	80 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	90 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	Maturation	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	10 days after pollination	PMID[33131958]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	rhizome	n.a.	PMID[7714541]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7760071]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	rhizome	n.a.	PMID[7798964]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7964801]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[8064299]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota	n.a.	rhizome	n.a.	PMID[8064299]
NPO8475	Chiloscyphus rivularis	Species	Lophocoleaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[9463110]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota	Resin, Exudate, Sap	n.a.	n.a.	Database[FooDB]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota	Rhizome	n.a.	n.a.	Database[FooDB]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota	Root	n.a.	n.a.	Database[FooDB]
NPO8865	Rubus occidentalis	Species	Rosaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO11066	Fabiana imbricata	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28197	Huperzia selago	Species	Lycopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO30307	Iris sp	Species	Tarachodidae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4156	Apocynum androsaemifolium	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO30270	Cordyceps sinensis	Species	Cordycipitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7770	Lactuca laciniata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO99	Artemisia porrecta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4554	Isatis tinctoria	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11411	Gossypium herbaceum	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8416	Picrorhiza kurrooa	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28300	Sorbaria arborea	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO10994	Sargentodoxa cuneata	Species	Lardizabalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO30641	Cynanchum atratum	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO626	Indigofera tinctoria	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO12693	Mesembryanthemum tortuosum	Species	Aizoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25957	Apocynum cannabinum	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7155	Cypripedium calceolus	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28050	Thalictrum podocarpum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO2722	Humulus japonicus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28574	Oroxylum indicum	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14417	Iris tectorum	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28372	Corydalis pallida	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14370	Ceratostigma willmottianum	Species	Plumbaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8680	Polypodium niponicum	Species	Polypodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15565	Pinus resinosa	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO30241	Picrorhiza scrophulariiflora	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28158	Polygala fruticosa	Species	Polygalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20990	Garcinia ovalifolia	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5588	Bursera tonkinensis	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO8865	Rubus occidentalis	Species	Rosaceae	Eukaryota	Fruits	n.a.		Database[Phenol-Explorer]
NPO8416	Picrorhiza kurrooa	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14417	Iris tectorum	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11066	Fabiana imbricata	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO27620	Pteris cretica	Species	Pteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19432	Millettia pinnata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4554	Isatis tinctoria	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20990	Garcinia ovalifolia	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28050	Thalictrum podocarpum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14720	Neopicrorhiza scrophulariiflora	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5745	Randia formosa	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28300	Sorbaria arborea	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25957	Apocynum cannabinum	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8680	Polypodium niponicum	Species	Polypodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28507	Hymenoxys grandiflora	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14370	Ceratostigma willmottianum	Species	Plumbaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11411	Gossypium herbaceum	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO626	Indigofera tinctoria	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1757	Aconitum liljestrandii	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28372	Corydalis pallida	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4156	Apocynum androsaemifolium	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7770	Lactuca laciniata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO2722	Humulus japonicus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5588	Bursera tonkinensis	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28176	Russula lepida	Species	Russulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO99	Artemisia porrecta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28197	Huperzia selago	Species	Lycopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10994	Sargentodoxa cuneata	Species	Lardizabalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15565	Pinus resinosa	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28158	Polygala fruticosa	Species	Polygalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13597	Iris sp.	Species	Tarachodidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28574	Oroxylum indicum	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29042	Vincetoxicum atratum	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7155	Cypripedium calceolus	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12693	Mesembryanthemum tortuosum	Species	Aizoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21188	Merremia quinquefolia	Species	Convolvulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28372	Corydalis pallida	Species	Papaveraceae	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]
NPO30241	Picrorhiza scrophulariiflora	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO4156	Apocynum androsaemifolium	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO28197	Huperzia selago	Species	Lycopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO30641	Cynanchum atratum	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO8680	Polypodium niponicum	Species	Polypodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7155	Cypripedium calceolus	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO15565	Pinus resinosa	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO2722	Humulus japonicus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14417	Iris tectorum	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO11597	Stellaria dichotoma	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO30270	Cordyceps sinensis	Species	Cordycipitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO28300	Sorbaria arborea	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO25957	Apocynum cannabinum	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO10994	Sargentodoxa cuneata	Species	Lardizabalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO29042	Vincetoxicum atratum	Species	Apocynaceae	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]
NPO8416	Picrorhiza kurrooa	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO8809	Cynanchum wilfordii	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO14417	Iris tectorum	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO10994	Sargentodoxa cuneata	Species	Lardizabalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4554	Isatis tinctoria	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO14720	Neopicrorhiza scrophulariiflora	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO11597	Stellaria dichotoma	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29287	Alectoria ochroleuca	Species	Parmeliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28404	Chasmanthera dependens	Species	Menispermaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28543	Alcyonium coralloides	Species	Alcyoniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28300	Sorbaria arborea	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8531	Centaurea ferox	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15565	Pinus resinosa	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28611	Phragmatobia fuliginosa	Species	Erebidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8276	Harpullia ramiflora	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16093	Achillea atrata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6312	Picea engelmannii	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8865	Rubus occidentalis	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28176	Russula lepida	Species	Russulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11066	Fabiana imbricata	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28158	Polygala fruticosa	Species	Polygalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17969	Unona lawii	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8809	Cynanchum wilfordii	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28282	Turbina corymbosa	Species	Convolvulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28372	Corydalis pallida	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28443	Larix lyallii	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28197	Huperzia selago	Species	Lycopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27620	Pteris cretica	Species	Pteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11786	Cylindropuntia leptocaulis	Species	Cactaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5745	Randia formosa	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8407	Polyporus fomentarius	Species	Polyporaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27973	Simaba cuneata	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10994	Sargentodoxa cuneata	Species	Lardizabalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3415	Perymenium mendezii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14803	Phebalium clavatum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28214	Phyllosticta cirsii	Species	Phyllostictaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28668	Agave cocui	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28593	Pteris pedata	Species	Pteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21261	Funtumia africana	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7220	Artemisia latifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20531	Helichrysum splendidum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27938	Meliosma wightii	Species	Sabiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3263	Thea sasanqua	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO29042	Vincetoxicum atratum	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8942	Hedysarum coronarium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4983	Bromelia pinguin	Species	Bromeliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28071	Dendrobates auratus	Species	Dendrobatidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28107	Penicillium expansum	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4117	Nauclea rhynchophylla	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1539	Artemisia giraldii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28525	Urginea riparia	Species	Hyacinthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8680	Polypodium niponicum	Species	Polypodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27891	Lethariella sinensis	Species	Parmeliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28100	Jacobaea othonnae	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27831	Phakellia flabellata	Species	Bubaridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5486	Helicoon richonis	Species	Orbiliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6086	Axinella polypoides	Species	Axinellidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3834	Periplaneta americana	Species	Blattoidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO99	Artemisia porrecta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4421	Penicillium cyclopium	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25330	Maackia floribunda	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4156	Apocynum androsaemifolium	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10092	Hesperocyparis bakeri	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20302	Betonica grandiflora	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14370	Ceratostigma willmottianum	Species	Plumbaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19951	Parmelia amphixanthoides	Species	Parmeliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19591	Dendrocalamus strictus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO691	Tarchonanthus camphoratus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28574	Oroxylum indicum	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27906	Philadelphus coronarius	Species	Hydrangeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6844	Bulbophyllum protractum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4554	Isatis tinctoria	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8416	Picrorhiza kurrooa	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10513	Lupinus pilosus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11411	Gossypium herbaceum	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9245	Ventilago madraspatana	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO280	Dysidea chlorea	Species	Dysideidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5981	Achlys triphylla	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2963	Diospyros glaucifolia	Species	Ebenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12693	Mesembryanthemum tortuosum	Species	Aizoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21361	Anastatica hierochuntica	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20990	Garcinia ovalifolia	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28009	Pellina semitubulosa	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO855	Elymnias thryallis	Species	Nymphalidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25348	Metapochonia suchlasporia	Species	Clavicipitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20192	Sonchus macrocarpus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15597	Calystegia pubescens	Species	Convolvulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10135	Tripteris microcarpa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO626	Indigofera tinctoria	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14818	Neofusicoccum mangiferae	Species	Botryosphaeriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28228	Kielmeyera rubriflora	Species	Calophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13333	Paenibacillus thiaminolyticus	Species	Paenibacillaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO15845	Acacia suaveolens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7155	Cypripedium calceolus	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11597	Stellaria dichotoma	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO55	Croton urucurana	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28425	Senecio miser	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6030	Magnolia fraseri	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28479	Campanula hypopolia	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27850	Trichilia catigua	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7770	Lactuca laciniata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28316	Scandix pecten-veneris	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO284	Albizia procera	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23643	Thalictrum aquilegiifolium	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16158	Conocarpus erectus	Species	Combretaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14417	Iris tectorum	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2421	Picea glauca	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2722	Humulus japonicus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7464	Uruparia lanosa	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO1757	Aconitum liljestrandii	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3963	Hortonia floribunda	Species	Monimiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27956	Eupatoriastrum nelsonii	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO28333	Syzygium levinei	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27918	Pterocarpus macrocarpus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1017	Dendrobium gibsonii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25957	Apocynum cannabinum	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21188	Merremia quinquefolia	Species	Convolvulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29373	Trichoplusia ni	Species	0ctuidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19432	Millettia pinnata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4952	Pertusaria amara	Species	Pertusariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2641	Marsupella aquatica	Species	Gymnomitriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3093	Phyllanthus tenellus	Species	Phyllanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28050	Thalictrum podocarpum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28494	Hydroclathrus tenuis	Species	Scytosiphonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28507	Hymenoxys grandiflora	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16029	Stereocaulon corticulatum	Species	Stereocaulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28461	Crepis czerepanovii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8475	Chiloscyphus rivularis	Species	Lophocoleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7616	Melanargia galathea	Species	Nymphalidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28651	Othonna tagetes	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5588	Bursera tonkinensis	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3255	Lampranthus sociorum	Species	Aizoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14720	Neopicrorhiza scrophulariiflora	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]

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

NP Quantity Composition/Concentration

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

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

Biological Activity

Activity Type	# Activity
IC50	5
Others	22
Potency	5

Activity Type	# Activity
Cell Line	3
Individual Protein	3
NON-MOLECULAR	1
Organism	10
Others	14
SINGLE PROTEIN	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT113	Cell Line	RAW264.7	Mus musculus	Inhibition	=	-19.8	%	PMID[569164]
NPT848	Cell Line	N9	Homo sapiens	Inhibition	=	-22.6	%	PMID[569164]
NPT521	Cell Line	RBL-2H3	Rattus norvegicus	Inhibition	=	2.3	%	PMID[569165]
NPT135	Individual Protein	Chromobox protein homolog 1	Homo sapiens	Potency	n.a.	89125.1	nM	PMID[569170]
NPT10	Individual Protein	Geminin	Homo sapiens	Potency	n.a.	25929.0	nM	PMID[569170]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	3264.3	nM	PMID[569170]
NPT1017	Organism	Cricetinae gen. sp.	Cricetinae gen. sp.	Inhibition	=	59.0	%	PMID[569163]
NPT2547	Organism	Hamster	Cricetinae	Inhibition	=	40.0	%	PMID[569166]
NPT2	Others	Unspecified		IC50	=	1090000.0	nM	PMID[569167]
NPT2	Others	Unspecified		IC50	=	61000000.0	nM	PMID[569167]
NPT2	Others	Unspecified		logIC50	=	3.04	n.a.	PMID[569167]
NPT2	Others	Unspecified		logIC50	=	4.78	n.a.	PMID[569167]
NPT2	Others	Unspecified		Inhibition	=	16.8	%	PMID[569168]
NPT2	Others	Unspecified		Inhibition	=	17.5	%	PMID[569168]
NPT2	Others	Unspecified		Inhibition	=	18.9	%	PMID[569168]
NPT2	Others	Unspecified		Inhibition	=	20.2	%	PMID[569168]
NPT27	Others	Unspecified		Inhibition	<	8.8	%	PMID[569168]
NPT2	Others	Unspecified		Potency	n.a.	2511.9	nM	PMID[569170]
NPT2	Others	Unspecified		Potency	n.a.	3981.1	nM	PMID[569170]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	3900.0	nM	PMID[569171]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-5.93	%	PMID[569174]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	5.5	%	PMID[569175]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.24	%	PMID[569176]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	=	-44.4	%	PMID[569177]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	Inhibition	=	9.5	%	PMID[569177]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	=	-15.14	%	PMID[569177]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	20000.0	nM	PMID[569178]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	19952.62	nM	PMID[569178]
NPT2	Others	Unspecified		Percent Effect	=	1.957	%	PMID[569179]
NPT2	Others	Unspecified		Percent Effect	=	-0.7345	%	PMID[569179]
NPT2	Others	Unspecified		Percent Effect	=	1.39	%	PMID[569179]

☑ 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 NPC32163 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	358
0.1-0.2	1862
0.2-0.3	5205
0.3-0.4	11785
0.4-0.5	5231
0.5-0.6	4403
0.6-0.7	8319
0.7-0.8	5072
0.8-0.85	315
0.85-0.9	113
0.9-0.95	30
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC16651
0.96	High Similarity	NPC50763
0.9512	High Similarity	NPC203719
0.9512	High Similarity	NPC117237
0.944	High Similarity	NPC66905
0.9421	High Similarity	NPC114298
0.9417	High Similarity	NPC225245
0.9375	High Similarity	NPC139519
0.9344	High Similarity	NPC242372
0.9344	High Similarity	NPC164778
0.9344	High Similarity	NPC4181
0.9344	High Similarity	NPC257976
0.9291	High Similarity	NPC111888
0.9286	High Similarity	NPC298268
0.9268	High Similarity	NPC312404
0.9268	High Similarity	NPC273686
0.925	High Similarity	NPC299406
0.9225	High Similarity	NPC208760
0.9219	High Similarity	NPC159418
0.9219	High Similarity	NPC283823
0.9187	High Similarity	NPC474691
0.916	High Similarity	NPC325625
0.912	High Similarity	NPC179777
0.9083	High Similarity	NPC150919
0.9048	High Similarity	NPC123228
0.9048	High Similarity	NPC5018
0.9048	High Similarity	NPC151167
0.9048	High Similarity	NPC276466
0.9048	High Similarity	NPC123722
0.9024	High Similarity	NPC201777
0.9023	High Similarity	NPC908
0.9023	High Similarity	NPC138438
0.9	High Similarity	NPC144662
0.8984	High Similarity	NPC285776
0.8968	High Similarity	NPC84076
0.8968	High Similarity	NPC303680
0.8968	High Similarity	NPC90128
0.896	High Similarity	NPC30216
0.8955	High Similarity	NPC84273
0.8947	High Similarity	NPC4796
0.8943	High Similarity	NPC158949
0.8943	High Similarity	NPC295317
0.8931	High Similarity	NPC204592
0.8906	High Similarity	NPC304622
0.8906	High Similarity	NPC261759
0.8898	High Similarity	NPC281020
0.8898	High Similarity	NPC286683
0.8889	High Similarity	NPC169214
0.8889	High Similarity	NPC229218
0.8889	High Similarity	NPC176030
0.8889	High Similarity	NPC312256
0.8889	High Similarity	NPC141817
0.8889	High Similarity	NPC192597
0.8881	High Similarity	NPC50823
0.888	High Similarity	NPC163083
0.8871	High Similarity	NPC194416
0.8871	High Similarity	NPC177291
0.8855	High Similarity	NPC237330
0.8837	High Similarity	NPC172673
0.8824	High Similarity	NPC46161
0.8824	High Similarity	NPC239608
0.8824	High Similarity	NPC46880
0.8815	High Similarity	NPC110419
0.8797	High Similarity	NPC112068
0.8797	High Similarity	NPC110899
0.8797	High Similarity	NPC25305
0.8797	High Similarity	NPC125417
0.8797	High Similarity	NPC95679
0.8788	High Similarity	NPC274613
0.8779	High Similarity	NPC327410
0.8759	High Similarity	NPC207732
0.8759	High Similarity	NPC142165
0.875	High Similarity	NPC158654
0.8741	High Similarity	NPC326065
0.874	High Similarity	NPC53305
0.874	High Similarity	NPC257589
0.8731	High Similarity	NPC284409
0.8722	High Similarity	NPC324929
0.8702	High Similarity	NPC239302
0.8696	High Similarity	NPC160777
0.8696	High Similarity	NPC73416
0.8686	High Similarity	NPC469615
0.8686	High Similarity	NPC254659
0.8686	High Similarity	NPC50954
0.8672	High Similarity	NPC92207
0.8672	High Similarity	NPC154275
0.8672	High Similarity	NPC127937
0.8672	High Similarity	NPC276014
0.8651	High Similarity	NPC286573
0.8633	High Similarity	NPC165389
0.8623	High Similarity	NPC469683
0.8618	High Similarity	NPC39793
0.8615	High Similarity	NPC226855
0.8613	High Similarity	NPC299154
0.8605	High Similarity	NPC293641
0.8605	High Similarity	NPC20404
0.8605	High Similarity	NPC12022
0.8605	High Similarity	NPC20287
0.8603	High Similarity	NPC28398
0.8594	High Similarity	NPC473626
0.8594	High Similarity	NPC280767
0.8583	High Similarity	NPC156840
0.8583	High Similarity	NPC160900
0.8583	High Similarity	NPC8547
0.8583	High Similarity	NPC106659
0.8583	High Similarity	NPC18984
0.8583	High Similarity	NPC23332
0.8583	High Similarity	NPC229084
0.8583	High Similarity	NPC173746
0.8583	High Similarity	NPC257124
0.8571	High Similarity	NPC469539
0.8571	High Similarity	NPC469540
0.8571	High Similarity	NPC155098
0.8571	High Similarity	NPC471110
0.8561	High Similarity	NPC9370
0.8561	High Similarity	NPC287495
0.8561	High Similarity	NPC153453
0.8561	High Similarity	NPC157133
0.8551	High Similarity	NPC287722
0.8548	High Similarity	NPC137537
0.8548	High Similarity	NPC205502
0.8548	High Similarity	NPC70744
0.8548	High Similarity	NPC164706
0.8548	High Similarity	NPC272471
0.8548	High Similarity	NPC107588
0.8538	High Similarity	NPC278308
0.8538	High Similarity	NPC226661
0.8529	High Similarity	NPC474784
0.8511	High Similarity	NPC287395
0.8511	High Similarity	NPC183655
0.8511	High Similarity	NPC474903
0.85	High Similarity	NPC143903
0.85	High Similarity	NPC226987
0.85	High Similarity	NPC183648
0.8496	Intermediate Similarity	NPC475468
0.8496	Intermediate Similarity	NPC307006
0.8496	Intermediate Similarity	NPC129889
0.8492	Intermediate Similarity	NPC109083
0.8492	Intermediate Similarity	NPC60962
0.8492	Intermediate Similarity	NPC189844
0.8492	Intermediate Similarity	NPC269843
0.8492	Intermediate Similarity	NPC224814
0.8492	Intermediate Similarity	NPC14007
0.8489	Intermediate Similarity	NPC196941
0.8489	Intermediate Similarity	NPC309169
0.8489	Intermediate Similarity	NPC105213
0.8489	Intermediate Similarity	NPC275278
0.8489	Intermediate Similarity	NPC113397
0.8478	Intermediate Similarity	NPC301178
0.8478	Intermediate Similarity	NPC284556
0.8478	Intermediate Similarity	NPC11314
0.8468	Intermediate Similarity	NPC240664
0.8455	Intermediate Similarity	NPC278102
0.8451	Intermediate Similarity	NPC205054
0.8451	Intermediate Similarity	NPC195763
0.8451	Intermediate Similarity	NPC264289
0.8451	Intermediate Similarity	NPC102003
0.8451	Intermediate Similarity	NPC200060
0.8451	Intermediate Similarity	NPC142876
0.8451	Intermediate Similarity	NPC333691
0.8451	Intermediate Similarity	NPC92722
0.8451	Intermediate Similarity	NPC139293
0.8451	Intermediate Similarity	NPC264550
0.8451	Intermediate Similarity	NPC237441
0.8451	Intermediate Similarity	NPC40290
0.8451	Intermediate Similarity	NPC69430
0.845	Intermediate Similarity	NPC3221
0.8444	Intermediate Similarity	NPC90431
0.844	Intermediate Similarity	NPC188074
0.844	Intermediate Similarity	NPC472969
0.844	Intermediate Similarity	NPC125449
0.8433	Intermediate Similarity	NPC45404
0.8429	Intermediate Similarity	NPC225351
0.8417	Intermediate Similarity	NPC119663
0.8417	Intermediate Similarity	NPC7097
0.8417	Intermediate Similarity	NPC246358
0.8417	Intermediate Similarity	NPC473090
0.8417	Intermediate Similarity	NPC36108
0.8417	Intermediate Similarity	NPC233731
0.8417	Intermediate Similarity	NPC471417
0.8413	Intermediate Similarity	NPC202474
0.8409	Intermediate Similarity	NPC65935
0.8409	Intermediate Similarity	NPC137427
0.8409	Intermediate Similarity	NPC195292
0.8409	Intermediate Similarity	NPC215941
0.8409	Intermediate Similarity	NPC319282
0.8409	Intermediate Similarity	NPC244246
0.8409	Intermediate Similarity	NPC275724
0.8409	Intermediate Similarity	NPC311419
0.8409	Intermediate Similarity	NPC123196
0.8409	Intermediate Similarity	NPC142985
0.84	Intermediate Similarity	NPC212743
0.8394	Intermediate Similarity	NPC322021
0.8392	Intermediate Similarity	NPC29231
0.8392	Intermediate Similarity	NPC472279
0.838	Intermediate Similarity	NPC15329
0.838	Intermediate Similarity	NPC254702
0.838	Intermediate Similarity	NPC80710
0.838	Intermediate Similarity	NPC203747
0.838	Intermediate Similarity	NPC194653

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 NPC32163 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	362
0.1-0.2	1019
0.2-0.3	1642
0.3-0.4	2685
0.4-0.5	1738
0.5-0.6	1123
0.6-0.7	479
0.7-0.8	95
0.8-0.85	5
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9512	High Similarity	NPD9494	Approved
0.8583	High Similarity	NPD228	Approved
0.8583	High Similarity	NPD4379	Clinical (unspecified phase)
0.8222	Intermediate Similarity	NPD230	Phase 1
0.8108	Intermediate Similarity	NPD3882	Suspended
0.8095	Intermediate Similarity	NPD2801	Approved
0.8088	Intermediate Similarity	NPD447	Suspended
0.8069	Intermediate Similarity	NPD824	Approved
0.8031	Intermediate Similarity	NPD5536	Phase 2
0.8027	Intermediate Similarity	NPD1934	Approved
0.7972	Intermediate Similarity	NPD1511	Approved
0.7969	Intermediate Similarity	NPD9545	Approved
0.7883	Intermediate Similarity	NPD943	Approved
0.7883	Intermediate Similarity	NPD1240	Approved
0.7862	Intermediate Similarity	NPD1512	Approved
0.7857	Intermediate Similarity	NPD1241	Discontinued
0.7803	Intermediate Similarity	NPD9269	Phase 2
0.7803	Intermediate Similarity	NPD3972	Approved
0.777	Intermediate Similarity	NPD1607	Approved
0.7733	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7724	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7676	Intermediate Similarity	NPD2344	Approved
0.766	Intermediate Similarity	NPD1510	Phase 2
0.766	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7639	Intermediate Similarity	NPD4628	Phase 3
0.7632	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7606	Intermediate Similarity	NPD2935	Discontinued
0.7568	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7556	Intermediate Similarity	NPD1876	Approved
0.7538	Intermediate Similarity	NPD9493	Approved
0.7532	Intermediate Similarity	NPD3818	Discontinued
0.752	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD6166	Phase 2
0.7516	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD9268	Approved
0.75	Intermediate Similarity	NPD1465	Phase 2
0.75	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7466	Intermediate Similarity	NPD2309	Approved
0.7451	Intermediate Similarity	NPD3817	Phase 2
0.7442	Intermediate Similarity	NPD5283	Phase 1
0.7426	Intermediate Similarity	NPD1283	Approved
0.741	Intermediate Similarity	NPD3027	Phase 3
0.7407	Intermediate Similarity	NPD9717	Approved
0.7407	Intermediate Similarity	NPD1608	Approved
0.7405	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7389	Intermediate Similarity	NPD6232	Discontinued
0.7379	Intermediate Similarity	NPD1549	Phase 2
0.7375	Intermediate Similarity	NPD7054	Approved
0.7368	Intermediate Similarity	NPD1651	Approved
0.7368	Intermediate Similarity	NPD6385	Approved
0.7368	Intermediate Similarity	NPD1357	Approved
0.7368	Intermediate Similarity	NPD6386	Approved
0.7358	Intermediate Similarity	NPD7473	Discontinued
0.7351	Intermediate Similarity	NPD3455	Phase 2
0.7347	Intermediate Similarity	NPD2354	Approved
0.7347	Intermediate Similarity	NPD6190	Approved
0.7338	Intermediate Similarity	NPD5977	Approved
0.7338	Intermediate Similarity	NPD5978	Approved
0.7333	Intermediate Similarity	NPD9296	Approved
0.7329	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD7472	Approved
0.7329	Intermediate Similarity	NPD7074	Phase 3
0.7319	Intermediate Similarity	NPD2798	Approved
0.731	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD2674	Phase 3
0.7303	Intermediate Similarity	NPD4380	Phase 2
0.7292	Intermediate Similarity	NPD2799	Discontinued
0.7279	Intermediate Similarity	NPD8166	Discontinued
0.7273	Intermediate Similarity	NPD1006	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD3142	Approved
0.7254	Intermediate Similarity	NPD3140	Approved
0.7248	Intermediate Similarity	NPD6799	Approved
0.7246	Intermediate Similarity	NPD1203	Approved
0.7244	Intermediate Similarity	NPD1358	Approved
0.7239	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD7685	Pre-registration
0.7237	Intermediate Similarity	NPD7458	Discontinued
0.7234	Intermediate Similarity	NPD411	Approved
0.7206	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7206	Intermediate Similarity	NPD1281	Approved
0.7203	Intermediate Similarity	NPD1933	Approved
0.72	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7195	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD2684	Approved
0.7185	Intermediate Similarity	NPD4626	Approved
0.7185	Intermediate Similarity	NPD17	Approved
0.7178	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD6797	Phase 2
0.7162	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD4110	Phase 3
0.7153	Intermediate Similarity	NPD1481	Phase 2
0.7152	Intermediate Similarity	NPD5494	Approved
0.7134	Intermediate Similarity	NPD7075	Discontinued
0.7134	Intermediate Similarity	NPD7251	Discontinued
0.7133	Intermediate Similarity	NPD3620	Phase 2
0.7133	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7133	Intermediate Similarity	NPD1558	Phase 1
0.7132	Intermediate Similarity	NPD3021	Approved
0.7132	Intermediate Similarity	NPD3022	Approved
0.7123	Intermediate Similarity	NPD2796	Approved
0.7113	Intermediate Similarity	NPD3144	Approved
0.7113	Intermediate Similarity	NPD3764	Approved
0.7113	Intermediate Similarity	NPD2313	Discontinued
0.7113	Intermediate Similarity	NPD3145	Approved
0.7107	Intermediate Similarity	NPD1247	Approved
0.7092	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7091	Intermediate Similarity	NPD7808	Phase 3
0.7089	Intermediate Similarity	NPD919	Approved
0.708	Intermediate Similarity	NPD1535	Discovery
0.7078	Intermediate Similarity	NPD7028	Phase 2
0.7078	Intermediate Similarity	NPD1337	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD2353	Approved
0.7075	Intermediate Similarity	NPD2346	Discontinued
0.7075	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD257	Approved
0.7071	Intermediate Similarity	NPD258	Approved
0.7066	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD259	Phase 1
0.7059	Intermediate Similarity	NPD1778	Approved
0.7055	Intermediate Similarity	NPD5844	Phase 1
0.7051	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7047	Intermediate Similarity	NPD3750	Approved
0.7047	Intermediate Similarity	NPD7003	Approved
0.7041	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD1894	Discontinued
0.7032	Intermediate Similarity	NPD6873	Phase 2
0.7031	Intermediate Similarity	NPD3134	Approved
0.7025	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7023	Intermediate Similarity	NPD1609	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.702	Intermediate Similarity	NPD4357	Discontinued
0.7019	Intermediate Similarity	NPD3926	Phase 2
0.7014	Intermediate Similarity	NPD825	Approved
0.7014	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD826	Approved
0.7014	Intermediate Similarity	NPD1613	Approved
0.7013	Intermediate Similarity	NPD2649	Approved
0.7013	Intermediate Similarity	NPD2651	Approved
0.7006	Intermediate Similarity	NPD5353	Approved
0.7	Intermediate Similarity	NPD1470	Approved
0.7	Intermediate Similarity	NPD2821	Approved
0.7	Intermediate Similarity	NPD3887	Approved
0.6993	Remote Similarity	NPD6798	Discontinued
0.6992	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6977	Remote Similarity	NPD290	Approved
0.6974	Remote Similarity	NPD2532	Approved
0.6974	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD2534	Approved
0.6974	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD2533	Approved
0.6974	Remote Similarity	NPD3146	Approved
0.697	Remote Similarity	NPD7843	Approved
0.6968	Remote Similarity	NPD6599	Discontinued
0.6966	Remote Similarity	NPD6355	Discontinued
0.6966	Remote Similarity	NPD555	Phase 2
0.6959	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD1471	Phase 3
0.6957	Remote Similarity	NPD1201	Approved
0.695	Remote Similarity	NPD5647	Approved
0.6946	Remote Similarity	NPD3534	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD4062	Phase 3
0.6944	Remote Similarity	NPD6233	Phase 2
0.6943	Remote Similarity	NPD7819	Suspended
0.694	Remote Similarity	NPD7157	Approved
0.6939	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD4308	Phase 3
0.6928	Remote Similarity	NPD6273	Approved
0.6923	Remote Similarity	NPD9266	Approved
0.6923	Remote Similarity	NPD74	Approved
0.6923	Remote Similarity	NPD7095	Approved
0.6923	Remote Similarity	NPD958	Approved
0.6914	Remote Similarity	NPD5242	Approved
0.6903	Remote Similarity	NPD3226	Approved
0.6901	Remote Similarity	NPD9569	Approved
0.6899	Remote Similarity	NPD2296	Approved
0.6897	Remote Similarity	NPD4060	Phase 1
0.6892	Remote Similarity	NPD1551	Phase 2
0.689	Remote Similarity	NPD2163	Approved
0.6884	Remote Similarity	NPD3847	Discontinued
0.6884	Remote Similarity	NPD3496	Discontinued
0.6883	Remote Similarity	NPD6662	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD2797	Approved
0.6879	Remote Similarity	NPD6801	Discontinued
0.6875	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD6234	Discontinued
0.6875	Remote Similarity	NPD3268	Approved
0.6867	Remote Similarity	NPD2800	Approved
0.6861	Remote Similarity	NPD5691	Approved
0.6853	Remote Similarity	NPD6832	Phase 2
0.6849	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6846	Remote Similarity	NPD9267	Approved
0.6846	Remote Similarity	NPD9264	Approved
0.6846	Remote Similarity	NPD7266	Discontinued
0.6846	Remote Similarity	NPD9263	Approved
0.6842	Remote Similarity	NPD6377	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD9377	Approved
0.6842	Remote Similarity	NPD9379	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