NPASS Compound

Structure

CID192744 OpenBabel06191715582D 33 37 0 0 1 0 0 0 0 0999 V2000 5.7215 0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1861 0.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4517 1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9589 0.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0243 1.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8712 -1.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0003 -0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6452 0.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6443 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6457 2.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 2.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2915 -1.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8231 -1.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -1.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7838 0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1127 -0.4738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6455 0.0005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6446 0.9495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0003 0.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4677 2.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4684 -0.4743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4689 -2.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4672 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8226 1.4247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8229 -0.4748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4686 -1.4237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3206 2.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -2.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1746 -3.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 18 1 0 0 0 0 3 26 1 0 0 0 0 4 26 1 0 0 0 0 6 28 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 22 1 0 0 0 0 10 15 1 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 27 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 30 1 0 0 0 0 19 18 1 6 0 0 0 19 24 1 0 0 0 0 20 24 1 0 0 0 0 20 28 1 6 0 0 0 21 26 1 0 0 0 0 21 27 1 1 0 0 0 22 27 1 1 0 0 0 22 29 1 0 0 0 0 23 26 1 0 0 0 0 23 31 2 0 0 0 0 24 30 1 1 0 0 0 25 32 2 0 0 0 0 25 33 1 0 0 0 0 27 5 1 1 0 0 0 28 29 1 1 0 0 0 29 7 1 1 0 0 0 30 25 1 1 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	454.34
Volume:	503.115
LogP:	5.553
LogD:	5.337
LogS:	-4.961
# Rotatable Bonds:	2
TPSA:	54.37
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	3

MedChem Properties

QED Drug-Likeness Score:	0.445
Synthetic Accessibility Score:	4.667
Fsp3:	0.867
Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Rejected
GSK Rule:	Rejected
BMS Rule:	0
Golden Triangle Rule:	Rejected
Chelating Alert:	0
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-5.408
MDCK Permeability:	2.036120895354543e-05
Pgp-inhibitor:	0.011
Pgp-substrate:	0.0
Human Intestinal Absorption (HIA):	0.005
20% Bioavailability (F20%):	0.102
30% Bioavailability (F30%):	0.974

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.009
Plasma Protein Binding (PPB):	87.96173095703125%
Volume Distribution (VD):	0.755
Pgp-substrate:	3.3422489166259766%

ADMET: Metabolism

CYP1A2-inhibitor:	0.022
CYP1A2-substrate:	0.798
CYP2C19-inhibitor:	0.044
CYP2C19-substrate:	0.952
CYP2C9-inhibitor:	0.214
CYP2C9-substrate:	0.927
CYP2D6-inhibitor:	0.007
CYP2D6-substrate:	0.791
CYP3A4-inhibitor:	0.288
CYP3A4-substrate:	0.176

ADMET: Excretion

Clearance (CL):	2.437
Half-life (T1/2):	0.406

ADMET: Toxicity

hERG Blockers:	0.007
Human Hepatotoxicity (H-HT):	0.376
Drug-inuced Liver Injury (DILI):	0.017
AMES Toxicity:	0.003
Rat Oral Acute Toxicity:	0.072
Maximum Recommended Daily Dose:	0.779
Skin Sensitization:	0.063
Carcinogencity:	0.014
Eye Corrosion:	0.307
Eye Irritation:	0.556
Respiratory Toxicity:	0.958

Download Data

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

Natural Product: NPC192744

Natural Product ID:	NPC192744
*Common Name:**	Betunolic Acid
IUPAC Name:	(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
Synonyms:	Betunolic Acid
Standard InCHIKey:	SLJTWDNVZKIDAU-SVAFSPIFSA-N
Standard InCHI:	InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1
SMILES:	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C(=O)O
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL431525
PubChem CID:	122844
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000012] Lipids and lipid-like molecules [CHEMONTID:0000259] Prenol lipids [CHEMONTID:0001553] Triterpenoids

*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
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	n.a.	seed	n.a.	DOI[10.1016/0031-9422(96)00258-0]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.phytochem.2005.10.025]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	Fruit	n.a.	n.a.	DOI[10.1016/S0963-9969(99)00095-2]
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	n.a.	fruit	n.a.	DOI[10.1016/S1383-5769(99)00023-9]
NPO13813	Durio carinatus	Species	Malvaceae	Eukaryota	n.a.	stem	n.a.	DOI[10.1021/np100332v]
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10086989]
NPO29027	Khaya grandifoliola	Species	Meliaceae	Eukaryota	n.a.	seed	n.a.	PMID[10661881]
NPO24176	Streptomyces fradiae	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[10757717]
NPO23281	Aplysinella rhax	Species	Aplysinellidae	Eukaryota	n.a.	n.a.	n.a.	PMID[10757728]
NPO24219	Erylus nobilis	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[11421740]
NPO15077	Achyranthes bidentata	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11430011]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	fruit body	n.a.	PMID[11520245]
NPO24219	Erylus nobilis	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[11908993]
NPO21963	Hypericum japonicum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11914965]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12045343]
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[12350165]
NPO12848	Carpinus cordata	Species	Betulaceae	Eukaryota	stems	n.a.	n.a.	PMID[12350169]
NPO2717	Vatica cinerea	Species	Dipterocarpaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12608862]
NPO25119	Euonymus laxiflorus	Species	Celastraceae	Eukaryota	n.a.	stem	n.a.	PMID[12713415]
NPO25119	Euonymus laxiflorus	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12713415]
NPO25119	Euonymus laxiflorus	Species	Celastraceae	Eukaryota	n.a.	leaf	n.a.	PMID[12713415]
NPO19263	Bulbinella floribunda	Species	Asphodelaceae	Eukaryota	roots	n.a.	n.a.	PMID[12828488]
NPO30165	Pongamia pinnata	Species	Fabaceae	Eukaryota	n.a.	stem	n.a.	PMID[14510596]
NPO30165	Pongamia pinnata	Species	Fabaceae	Eukaryota	stem bark	Indonesia	1999-SEP	PMID[14510596]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	n.a.	n.a.	PMID[14695801]
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota	n.a.	Okinawan, Japan	n.a.	PMID[14695804]
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[1512598]
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	Seeds	n.a.	n.a.	PMID[15165151]
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[15332859]
NPO15915	Edgeworthia gardneri	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15387673]
NPO25344	Caryocar villosum	Species	Caryocaraceae	Eukaryota	Fruits	n.a.	n.a.	PMID[16792411]
NPO15538	Eucalyptus citriodora	Species	Myrtaceae	Eukaryota	Leaves	the campus of Panjab University, Chandigarh, India		PMID[16989303]
NPO4138.1	Betula platyphylla var. japonica	Varieties	Betulaceae	Eukaryota	floral spikes	n.a.	n.a.	PMID[17346076]
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[17407351]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	PMID[17548953]
NPO23281	Aplysinella rhax	Species	Aplysinellidae	Eukaryota	n.a.	n.a.	n.a.	PMID[17827010]
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	fruit	Indonesia	n.a.	PMID[17896817]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	n.a.	n.a.	PMID[1791484]
NPO25206	Cucurbita moschata	Species	Cucurbitaceae	Eukaryota	n.a.	Northeastern Regional Plant Introduction Station at Geneva	1966, 1967, and 1968 crop seasons	PMID[18460139]
NPO20637	Piper acutifolium	Species	Piperaceae	Eukaryota	n.a.	leaf	n.a.	PMID[18712933]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	spore	n.a.	PMID[18827358]
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	n.a.	Vietnam	n.a.	PMID[19026551]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	fruiting bodies	Nagano, Japan	2008-MAY	PMID[20039640]
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	seeds	n.a.	n.a.	PMID[20050684]
NPO13379	Schizanthus tricolor	Species	Solanaceae	Eukaryota	Aerial parts	n.a.	n.a.	PMID[20166702]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20384295]
NPO23924	Psilotum nudum	Species	Psilotaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20488581]
NPO23525	Physalis sordida	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20575572]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	fruiting bodies	n.a.	n.a.	PMID[20702092]
NPO6876	Ixora coccinea	Species	Rubiaceae	Eukaryota	aerial parts	collected on the campus of Kaohsiung Medical University, Taiwan	2007-Oct	PMID[21106454]
NPO23499	Carpesium faberi	Species	Asteraceae	Eukaryota	whole plant	Changshou County, Chongqing, China	2008-Aug	PMID[21109433]
NPO11266	Garcinia cambogia	Species	Clusiaceae	Eukaryota	n.a.	exocarp	n.a.	PMID[21114277]
NPO13379	Schizanthus tricolor	Species	Solanaceae	Eukaryota	n.a.	aerial part	n.a.	PMID[21171571]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[21381697]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	fruiting bodies	n.a.	n.a.	PMID[21924611]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22014750]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	fruit body	n.a.	PMID[22044278]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	fruiting body	n.a.	n.a.	PMID[22047696]
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	Seeds	n.a.	n.a.	PMID[22506620]
NPO17254	Streptomyces anulatus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[23423168]
NPO25727	Tabernaemontana divaricata	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23944995]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	Roots	n.a.	n.a.	PMID[24054487]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	roots	n.a.	n.a.	PMID[24412339]
NPO15538	Eucalyptus citriodora	Species	Myrtaceae	Eukaryota	Essential oil	n.a.	n.a.	PMID[24641242]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	PMID[24675423]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	Bako, Ethiopia		PMID[24926420]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	Enemore, Ethiopia		PMID[24926420]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	Gedo, Ethiopia		PMID[24926420]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	Holleta, Ethiopia		PMID[24926420]
NPO13106	Rhodomyrtus tomentosa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25466012]
NPO30165	Pongamia pinnata	Species	Fabaceae	Eukaryota	dry stem	n.a.	n.a.	PMID[25466192]
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[25987373]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26222905]
NPO25727	Tabernaemontana divaricata	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26231157]
NPO25206	Cucurbita moschata	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26477735]
NPO21963	Hypericum japonicum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27116034]
NPO5986	Ziziphus jujuba	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27617953]
NPO13106	Rhodomyrtus tomentosa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28245113]
NPO5986	Ziziphus jujuba	Species	Rhamnaceae	Eukaryota	Roots	n.a.	n.a.	PMID[28257196]
NPO13199	Syzygium jambos	Species	Myrtaceae	Eukaryota	n.a.	whole plant	n.a.	PMID[28294414]
NPO18077	Liquidambar formosana	Species	Altingiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29019685]
NPO3013	Clathria basilana	Species	Microcionidae	Eukaryota	n.a.	n.a.	n.a.	PMID[29094598]
NPO40286	Phoradendron vernicosum	Species	Viscaceae	Eukaryota	Aerial Parts	n.a.	n.a.	PMID[29120172]
NPO25377	Ocimum gratissimum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29192771]
NPO30165	Pongamia pinnata	Species	Fabaceae	Eukaryota	Roots	n.a.	n.a.	PMID[29482940]
NPO21963	Hypericum japonicum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29667821]
NPO25727	Tabernaemontana divaricata	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30169038]
NPO25206	Cucurbita moschata	Species	Cucurbitaceae	Eukaryota	n.a.	The ‘Dolina Mogilnicy’ Organic Farming Products Cooperative (Wolkowo, Poland)	2016-Oct	PMID[31416184]
NPO14827	Rhus chinensis	Species	Anacardiaceae	Eukaryota	Roots	n.a.	n.a.	PMID[32031812]
NPO25377	Ocimum gratissimum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[6114991]
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[6481366]
NPO25206	Cucurbita moschata	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[6821187]
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7561896]
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[7807132]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	fruit body	n.a.	PMID[9635497]
NPO4138.1	Betula platyphylla var. japonica	Varieties	Betulaceae	Eukaryota	bark	n.a.	n.a.	PMID[9873651]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	Seed	n.a.	n.a.	Database[FooDB]
NPO19774	Rubus idaeus	Species	n.a.	n.a.		n.a.	n.a.	Database[FooDB]
NPO25206	Cucurbita moschata	Species	Cucurbitaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO13199	Syzygium jambos	Species	Myrtaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	Fruits	n.a.		Database[FooDB]
NPO13199	Syzygium jambos	Species	Myrtaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	Fruit	n.a.	n.a.	Database[FooDB]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	Leaf	n.a.	n.a.	Database[FooDB]
NPO15077	Achyranthes bidentata	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13473	Anodendron affine	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13199	Syzygium jambos	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO16642	Astrantia major	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7541	Ormosia hosiei	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25206	Cucurbita moschata	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4138.1	Betula platyphylla var. japonica	Varieties	Betulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13106	Rhodomyrtus tomentosa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO18077	Liquidambar formosana	Species	Altingiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23924	Psilotum nudum	Species	Psilotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22455	Corydalis sewerzowi	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO24574	Berberis orthobotrys	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO18094	Euonymus atropurpureus	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO16884	Convallaria keiskei	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO16242	Phlojodicarpus sibiricus	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21963	Hypericum japonicum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11842	Petasites laevigatus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO30165	Pongamia pinnata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[HerDing]
NPO21625	Bidens tripartita	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11266	Garcinia cambogia	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5986	Ziziphus jujuba	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14827	Rhus chinensis	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7987	Tilia vulgaris	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	Fruits	n.a.		Database[Phenol-Explorer]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	n.a.	n.a.		Database[Phenol-Explorer]
NPO14387	Dalbergia ecastaphyllum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11842	Petasites laevigatus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15077	Achyranthes bidentata	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7987	Tilia vulgaris	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23802	Styrax formosanus	Species	Styracaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11266	Garcinia cambogia	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5986	Ziziphus jujuba	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13106	Rhodomyrtus tomentosa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15697	Camellia sasanqua	Species	Theaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25727	Tabernaemontana divaricata	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16884	Convallaria keiskei	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25206	Cucurbita moschata	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4138.1	Betula platyphylla var. japonica	Varieties	Betulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14827	Rhus chinensis	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25608	Zanthoxylum acutifolium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO2749	Baccharis dracunculifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25428	Ceriops decandra	Species	Rhizophoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16242	Phlojodicarpus sibiricus	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15538	Eucalyptus citriodora	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21625	Bidens tripartita	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO22455	Corydalis sewerzowi	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23924	Psilotum nudum	Species	Psilotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16642	Astrantia major	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8733	Duttaphrynus melanostictus	Species	Bufonidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21963	Hypericum japonicum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13199	Syzygium jambos	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18077	Liquidambar formosana	Species	Altingiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13473	Anodendron affine	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7541	Ormosia hosiei	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25377	Ocimum gratissimum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26426.1	Cassia javanica subsp. nodosa	Subspecies	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24574	Berberis orthobotrys	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18094	Euonymus atropurpureus	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13106	Rhodomyrtus tomentosa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO16242	Phlojodicarpus sibiricus	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO18077	Liquidambar formosana	Species	Altingiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO13199	Syzygium jambos	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO15077	Achyranthes bidentata	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7987	Tilia vulgaris	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO16884	Convallaria keiskei	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14827	Rhus chinensis	Species	Anacardiaceae	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]
NPO5986	Ziziphus jujuba	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO25206	Cucurbita moschata	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21963	Hypericum japonicum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7541	Ormosia hosiei	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO24090	Aplysilla rosea	Species	Darwinellidae	Eukaryota	n.a.	Austrila	n.a.	Database[Title]
NPO6185	Rhus potaninii	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO15077	Achyranthes bidentata	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO5986	Ziziphus jujuba	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO18685	Schlechtendalia chinensis	Species	Pemphigidae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4075	Rhus punjabensis	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO14827	Rhus chinensis	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO18077	Liquidambar formosana	Species	Altingiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO23739	Staehelina fruticosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16025	Werneria decora	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5047	Evodiopanax innovans	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO2717	Vatica cinerea	Species	Dipterocarpaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13199	Syzygium jambos	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13669	Hertia cheirifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22012	Cipadessa fruticosa	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23456	Palaquium canaliculatum	Species	Sapotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12429	Acicarpha tribuloides	Species	Calyceraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24903	Diplazium esculentum	Species	Athyriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26426.1	Cassia javanica subsp. nodosa	Subspecies	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25578	Chiton tuberculatus	Species	Chitonidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13442	Eucalyptus regnans	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23318	Aconitum palmatum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16985	Tribulus alatus	Species	Muricidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16557	Polygala ruwenzoriensis	Species	Polygalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17104	Pithecellobium racemosum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15349	Acacia sparsiflora	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23884	Hippobroma longiflora	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11808	Ania latifolia	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15797	Drypetes littoralis	Species	Putranjivaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13127	Vallaris heynei	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11266	Garcinia cambogia	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14463	Dirca occidentalis	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5782	Aniba rosaeodora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22143	Genista sessilifolia	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23114	Cacalia robusta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16475	Plumbago pulchella	Species	Plumbaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21963	Hypericum japonicum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23610	Aconitum tianschanicum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12255	Jasminum humile	Species	Oleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12848	Carpinus cordata	Species	Betulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8593	Zygosaccharomyces rouxii	Species	Saccharomycetaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23834	Chlamydomonas allensworthii	Species	Chlamydomonadaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5866	Bitis arietans	Species	Viperidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17852	Chilo suppressalis	Species	Crambidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11842	Petasites laevigatus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9416	Ostrea chilensis	Species	Ostreidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15077	Achyranthes bidentata	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9929	Amomum sceptrum	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16125	Micromonas pusilla	Species	Mamiellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4860	Coccinia grandis	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18077	Liquidambar formosana	Species	Altingiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14313	Pachybasium candidum	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO23364	Lambertella corni	Species	Rutstroemiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23525	Physalis sordida	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23211	Xyris indica	Species	Xyridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21625	Bidens tripartita	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17384	Festuca versuta	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24048	Cladonia pityrea	Species	Cladoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22056	Streptomyces roseoverticillatus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO11994	Thesium humile	Species	Thesiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18604	Nassauvia pyramidalis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24090	Aplysilla rosea	Species	Darwinellidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12293	Euphorbia iberica	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21570	Blumea eriantha	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13379	Schizanthus tricolor	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8548	Zanthoxylum beecheyanum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO820	Grindelia perennis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22536	Cladosporium cucumerinum	Species	Cladosporiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24860	Euphorbia formosana	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14936	Agave shawii	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23696	Solanum diflorum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21827	Albatrellus caeruleoporus	Species	Albatrellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13139	Anatheca montagnei	Species	Solieriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25687	Archidendron ellipticum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11002	Hopea jucunda	Species	Dipterocarpaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24249	Codonopsis cordifolioidea	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18976	Centaurea arbutifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19263	Bulbinella floribunda	Species	Asphodelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24325	Ilex brevicuspis	Species	Aquifoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24710	Achillea biebersteinii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16242	Phlojodicarpus sibiricus	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25206	Cucurbita moschata	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25377	Ocimum gratissimum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24251	Taxus drupacea	Species	Taxaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11987	Silene inflata	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25486	Zaluzania grayana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15915	Edgeworthia gardneri	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24176	Streptomyces fradiae	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO23920	Amanita pseudoporphyria	Species	Amanitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13473	Anodendron affine	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18094	Euonymus atropurpureus	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14948	Brucea javanica	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17737	Lepidorhinus squamosus	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO16718	Pinna nobilis	Species	Pinnidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5529	Diaporthe longicolla	Species	Diaporthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5280	Rubia tetragona	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23802	Styrax formosanus	Species	Styracaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25632	Sarcophyton buitendijki	Species	Alcyoniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17254	Streptomyces anulatus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO16043	Centaurea musimomum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14470	Polypodium decumanum	Species	Polypodiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24290	Claviceps microcephala	Species	Clavicipitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22863	Littorina littorea	Species	Littorinidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12490	Lecidea speirodes	Species	Lecideaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4700	Pertusaria truncata	Species	Pertusariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2749	Baccharis dracunculifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6876	Ixora coccinea	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25656	Rhizoctonia repens	Species	Ceratobasidiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO25517	Colladonia triquetra	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO24445	Arbacia pustulosa	Species	Arbaciidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13106	Rhodomyrtus tomentosa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11134	Himalaiella deltoidea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16796	Rumex conglomeratus	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25344	Caryocar villosum	Species	Caryocaraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7541	Ormosia hosiei	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20636	Myoporum platycarpum	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13178	Ornithoglossum viride	Species	Colchicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8733	Duttaphrynus melanostictus	Species	Bufonidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24409	Evasterias troschelii	Species	Asteriidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15697	Camellia sasanqua	Species	Theaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25269	Ganoderma lucidum	Species	Ganodermataceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24442	Calycotome villosa	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO19535	Senecio zoellneri	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14169	Acrocarpia paniculata	Species	Sargassaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23545	Vellozia streptophylla	Species	Velloziaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15588	Senecio desfontainei	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24219	Erylus nobilis	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO24574	Berberis orthobotrys	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20998	Machaerium kuhlmannii	Species	Dolichopodidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23043	Cryptolestes pusillus	Species	Laemophloeidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12521	Sphaeranthus confertifolius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14369	Pocillopora eydouxi	Species	Pocilloporidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24483	Acrisione denticulata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13813	Durio carinatus	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO738	Dahlstedtia pentaphylla	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7987	Tilia vulgaris	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9569	Licaria chrysophylla	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25428	Ceriops decandra	Species	Rhizophoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23499	Carpesium faberi	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24534	Senecio heliopsis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23792	Gomphostemma parviflorum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23281	Aplysinella rhax	Species	Aplysinellidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25119	Euonymus laxiflorus	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25244	Scopolia atropoides	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23413	Crematogaster africana	Species	Formicidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25064	Streptomyces purpurogeneiscleroticus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO25063	Ongokea gore	Species	Aptandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23219	Lactarius sanguifluus	Species	Russulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14387	Dalbergia ecastaphyllum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4589	Sarcotragus spinosulus	Species	Irciniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15538	Eucalyptus citriodora	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15205	Alaria crispa	Species	Alariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22324	Erium villosum	Species	Pseudococcidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24408	Ariocarpus fissuratus	Species	Cactaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22455	Corydalis sewerzowi	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14807	Arenaria juncea	Species	Scolopacidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23459	Onoseris alata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23924	Psilotum nudum	Species	Psilotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2827	Plumeria alba	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25608	Zanthoxylum acutifolium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23725	Dytiscus marginalis	Species	Dytiscidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25157	Cymbastela coralliophila	Species	Axinellidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16642	Astrantia major	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22595	Trapa bicornis	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23961	Scytonema ocellatum	Species	Scytonemataceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO29027	Khaya grandifoliola	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6716	Amphimedon paraviridis	Species	Niphatidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14827	Rhus chinensis	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24005	Mytilus galloprovincialis	Species	Mytilidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17156	Neolitsea zeylanica	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9479	Ambrosia grayi	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20219	Rhizobium etli	Species	Rhizobiaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO25401	Glochidion philippicum	Species	Phyllanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24149	Paracoccus denitrificans	Species	Rhodobacteraceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO25453	Solidago petiolaris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23336	Cladonia impexa	Species	Cladoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11436	Baeomyces roseus	Species	Baeomycetaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8804	Raputia simulans	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO23583	Taonia australasica	Species	Dictyotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27733	Rosa hybrid cultivar	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20637	Piper acutifolium	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25727	Tabernaemontana divaricata	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24132	Euphausia superba	Species	Euphausiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24666	Codium dwarkense	Species	Codiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25067	Sanicula epipactis	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3013	Clathria basilana	Species	Microcionidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2038	Myrtus tomentosa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13876	Cedrela salvadorensis	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16884	Convallaria keiskei	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]

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

NP Quantity Composition/Concentration

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

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

Biological Activity

Activity Type	# Activity
EC50	20
ED50	13
IC50	98
Others	44
Potency	14

Activity Type	# Activity
Cell Line	111
Individual Protein	13
NON-MOLECULAR	17
Organism	21
Others	27

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT147	Cell Line	SK-MEL-2	Homo sapiens	ED50	=	0.9	ug ml-1	PMID[453777]
NPT91	Cell Line	KB	Homo sapiens	ED50	=	2.5	ug ml-1	PMID[453777]
NPT3911	Cell Line	ECV-304	Homo sapiens	IC50	<	4.0	ug.mL-1	PMID[453778]
NPT3911	Cell Line	ECV-304	Homo sapiens	IC50	=	0.28	ug.mL-1	PMID[453779]
NPT112	Cell Line	MOLT-4	Homo sapiens	ED50	=	1.2	ug ml-1	PMID[453780]
NPT15	Cell Line	Jurkat	Homo sapiens	ED50	=	0.4	ug ml-1	PMID[453780]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	ED50	=	4.4	ug ml-1	PMID[453780]
NPT5090	Cell Line	BRISTOL8	Homo sapiens	ED50	=	2.6	ug ml-1	PMID[453780]
NPT466	Cell Line	U-937	Homo sapiens	ED50	=	2.8	ug ml-1	PMID[453780]
NPT90	Cell Line	DU-145	Homo sapiens	ED50	=	3.1	ug ml-1	PMID[453780]
NPT2400	Cell Line	PA-1	Homo sapiens	ED50	=	1.2	ug ml-1	PMID[453780]
NPT81	Cell Line	A549	Homo sapiens	ED50	>	10.0	ug ml-1	PMID[453780]
NPT3463	Cell Line	L132	Homo sapiens	ED50	>	10.0	ug ml-1	PMID[453780]
NPT91	Cell Line	KB	Homo sapiens	IC50	=	3800.0	nM	PMID[453781]
NPT111	Cell Line	K562	Homo sapiens	IC50	=	16100.0	nM	PMID[453781]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	49000.0	nM	PMID[453781]
NPT407	Cell Line	COLO 205	Homo sapiens	IC50	=	36800.0	nM	PMID[453781]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	IC50	=	20000.0	nM	PMID[453782]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	15000.0	nM	PMID[453782]
NPT139	Cell Line	HT-29	Homo sapiens	IC50	=	17000.0	nM	PMID[453782]
NPT111	Cell Line	K562	Homo sapiens	IC50	=	6000.0	nM	PMID[453782]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	IC50	=	26000.0	nM	PMID[453782]
NPT306	Cell Line	PC-3	Homo sapiens	IC50	=	15000.0	nM	PMID[453782]
NPT189	Cell Line	Vero	Chlorocebus aethiops	CC50	=	112000.0	nM	PMID[453783]
NPT759	Cell Line	H9	Homo sapiens	IC50	=	1.8	ug.mL-1	PMID[453784]
NPT306	Cell Line	PC-3	Homo sapiens	IC50	=	15000.0	nM	PMID[453785]
NPT111	Cell Line	K562	Homo sapiens	IC50	=	17000.0	nM	PMID[453785]
NPT111	Cell Line	K562	Homo sapiens	IC50	=	6000.0	nM	PMID[453785]
NPT139	Cell Line	HT-29	Homo sapiens	IC50	=	17000.0	nM	PMID[453785]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	IC50	=	17000.0	nM	PMID[453785]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	15000.0	nM	PMID[453785]
NPT90	Cell Line	DU-145	Homo sapiens	IC50	=	36000.0	nM	PMID[453785]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	29000.0	nM	PMID[453785]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	IC50	=	26000.0	nM	PMID[453785]
NPT540	Individual Protein	Bile acid receptor FXR	Homo sapiens	EC50	=	0.0	nM	PMID[453788]
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	=	2610.0	nM	PMID[453790]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	9770.0	nM	PMID[453790]
NPT2382	Cell Line	SW948	Homo sapiens	IC50	=	19170.0	nM	PMID[453790]
NPT762	Cell Line	A-431	Homo sapiens	IC50	=	3260.0	nM	PMID[453791]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	10090.0	nM	PMID[453791]
NPT179	Cell Line	A2780	Homo sapiens	IC50	=	2980.0	nM	PMID[453791]
NPT139	Cell Line	HT-29	Homo sapiens	IC50	=	10020.0	nM	PMID[453791]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	10370.0	nM	PMID[453791]
NPT763	Cell Line	SW-1736	Homo sapiens	IC50	=	3050.0	nM	PMID[453791]
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	4.32	ug.mL-1	PMID[453792]
NPT1031	Cell Line	Ca9-22	Homo sapiens	IC50	=	14.47	ug.mL-1	PMID[453792]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	8.93	ug.mL-1	PMID[453792]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	19.32	ug.mL-1	PMID[453792]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	>	20.0	ug.mL-1	PMID[453792]
NPT483	Individual Protein	Prelamin-A/C	Homo sapiens	Potency	=	794.3	nM	PMID[453793]
NPT1254	Individual Protein	Streptokinase A	Streptococcus pyogenes serotype M1	EC50	=	1848.0	nM	PMID[453793]
NPT1217	Individual Protein	Botulinum neurotoxin type A	Clostridium botulinum	IC50	<	100000.0	nM	PMID[453794]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	IC50	=	20000.0	nM	PMID[453796]
NPT10	Individual Protein	Geminin	Homo sapiens	Potency	n.a.	4109.5	nM	PMID[453793]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	3662.6	nM	PMID[453793]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	2909.3	nM	PMID[453793]
NPT1215	Cell Line	8505C	Homo sapiens	IC50	=	14000.0	nM	PMID[453797]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	10420.0	nM	PMID[453797]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	10420.0	nM	PMID[453797]
NPT179	Cell Line	A2780	Homo sapiens	IC50	=	5970.0	nM	PMID[453797]
NPT3140	Cell Line	MGC-803	Homo sapiens	IC50	=	17700.0	nM	PMID[453800]
NPT1872	Cell Line	Bcap37	Homo sapiens	IC50	=	25700.0	nM	PMID[453800]
NPT1083	Cell Line	A-375	Homo sapiens	IC50	=	28900.0	nM	PMID[453800]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	18200.0	nM	PMID[453800]
NPT34	Cell Line	BV-2	Mus musculus	IC50	>	100000.0	nM	PMID[453801]
NPT189	Cell Line	Vero	Chlorocebus aethiops	CC50	=	35600.0	nM	PMID[453802]
NPT179	Cell Line	A2780	Homo sapiens	EC50	=	20400.0	nM	PMID[453803]
NPT81	Cell Line	A549	Homo sapiens	EC50	=	25900.0	nM	PMID[453803]
NPT83	Cell Line	MCF7	Homo sapiens	EC50	=	25900.0	nM	PMID[453803]
NPT1886	Cell Line	J774	Mus musculus	Activity	=	118.0	%	PMID[453804]
NPT1886	Cell Line	J774	Mus musculus	Activity	=	87.1	%	PMID[453804]
NPT1886	Cell Line	J774	Mus musculus	Activity	=	107.1	%	PMID[453804]
NPT1886	Cell Line	J774	Mus musculus	Activity	=	38.3	%	PMID[453804]
NPT1886	Cell Line	J774	Mus musculus	Activity	=	45.3	%	PMID[453804]
NPT81	Cell Line	A549	Homo sapiens	GI	=	62.0	%	PMID[453806]
NPT306	Cell Line	PC-3	Homo sapiens	GI	=	43.0	%	PMID[453806]
NPT393	Cell Line	HCT-116	Homo sapiens	GI	=	49.0	%	PMID[453806]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	>	10000.0	nM	PMID[453806]
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	>	10000.0	nM	PMID[453806]
NPT306	Cell Line	PC-3	Homo sapiens	IC50	>	10000.0	nM	PMID[453806]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	5700.0	nM	PMID[453806]
NPT83	Cell Line	MCF7	Homo sapiens	GI	=	43.0	%	PMID[453806]
NPT783	Cell Line	MIA PaCa-2	Homo sapiens	GI	=	36.0	%	PMID[453806]
NPT783	Cell Line	MIA PaCa-2	Homo sapiens	IC50	>	10000.0	nM	PMID[453806]
NPT2245	Cell Line	SiHa	Homo sapiens	CC50	=	116800.0	nM	PMID[453807]
NPT165	Cell Line	HeLa	Homo sapiens	CC50	>	500000.0	nM	PMID[453807]
NPT83	Cell Line	MCF7	Homo sapiens	CC50	>	500000.0	nM	PMID[453807]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	CC50	=	60900.0	nM	PMID[453807]
NPT90	Cell Line	DU-145	Homo sapiens	CC50	=	139000.0	nM	PMID[453807]
NPT91	Cell Line	KB	Homo sapiens	CC50	>	500000.0	nM	PMID[453807]
NPT1171	Cell Line	HEp-2	Homo sapiens	CC50	>	500000.0	nM	PMID[453807]
NPT189	Cell Line	Vero	Chlorocebus aethiops	CC50	>	500000.0	nM	PMID[453807]
NPT71	Cell Line	HEK293	Homo sapiens	CC50	>	500000.0	nM	PMID[453807]
NPT165	Cell Line	HeLa	Homo sapiens	IC50	>	500000.0	nM	PMID[453807]
NPT2245	Cell Line	SiHa	Homo sapiens	IC50	>	500000.0	nM	PMID[453807]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	>	500000.0	nM	PMID[453807]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	>	500000.0	nM	PMID[453807]
NPT90	Cell Line	DU-145	Homo sapiens	IC50	>	500000.0	nM	PMID[453807]
NPT91	Cell Line	KB	Homo sapiens	IC50	>	500000.0	nM	PMID[453807]
NPT1171	Cell Line	HEp-2	Homo sapiens	IC50	>	500000.0	nM	PMID[453807]
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	>	500000.0	nM	PMID[453807]
NPT71	Cell Line	HEK293	Homo sapiens	IC50	>	500000.0	nM	PMID[453807]
NPT189	Cell Line	Vero	Chlorocebus aethiops	CC50	>	400000.0	nM	PMID[453808]
NPT65	Cell Line	HepG2	Homo sapiens	CC50	=	150500.0	nM	PMID[453808]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	IC50	=	8400.0	nM	PMID[453809]
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	=	38100.0	nM	PMID[453809]
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	=	49400.0	nM	PMID[453809]
NPT111	Cell Line	K562	Homo sapiens	IC50	=	13600.0	nM	PMID[453809]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	40000.0	nM	PMID[453809]
NPT1045	Cell Line	U2OS	Homo sapiens	IC50	=	38000.0	nM	PMID[453809]
NPT1160	Cell Line	BJ	Homo sapiens	IC50	=	39500.0	nM	PMID[453809]
NPT171	Cell Line	MRC5	Homo sapiens	IC50	=	29500.0	nM	PMID[453809]
NPT1083	Cell Line	A-375	Homo sapiens	EC50	=	14300.0	nM	PMID[453810]
NPT139	Cell Line	HT-29	Homo sapiens	EC50	=	18500.0	nM	PMID[453810]
NPT83	Cell Line	MCF7	Homo sapiens	EC50	=	12000.0	nM	PMID[453810]
NPT179	Cell Line	A2780	Homo sapiens	EC50	=	4700.0	nM	PMID[453810]
NPT1216	Cell Line	FaDu	Homo sapiens	EC50	=	17400.0	nM	PMID[453810]
NPT886	Cell Line	NIH3T3	Mus musculus	EC50	=	19400.0	nM	PMID[453810]
NPT742	Organism	Influenza A virus	Influenza A virus	EC50	=	5700.0	nM	PMID[453776]
NPT742	Organism	Influenza A virus	Influenza A virus	Ratio	=	9.6	n.a.	PMID[453776]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	EC50	=	2500.0	nM	PMID[453776]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	Ratio	=	43.9	n.a.	PMID[453776]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	ECS ratio	=	14.2	n.a.	PMID[453779]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	ECS ratio	=	3.2	n.a.	PMID[453779]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	ECS ratio	=	9.8	n.a.	PMID[453779]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	ECS ratio	=	9.2	n.a.	PMID[453779]
NPT27	Others	Unspecified		IC50	=	2300.0	nM	PMID[453781]
NPT27	Others	Unspecified		IC50	=	640.0	nM	PMID[453781]
NPT27	Others	Unspecified		IC50	=	73500.0	nM	PMID[453781]
NPT27	Others	Unspecified		IC50	=	48400.0	nM	PMID[453781]
NPT27	Others	Unspecified		IC50	=	17000.0	nM	PMID[453782]
NPT27	Others	Unspecified		IC50	=	159000.0	nM	PMID[453782]
NPT1515	Organism	SARS coronavirus	SARS coronavirus	EC50	=	630.0	nM	PMID[453783]
NPT2	Others	Unspecified		Ratio CC50/EC50	=	180.0	n.a.	PMID[453783]
NPT2	Others	Unspecified		IC50	>	100000.0	nM	PMID[453783]
NPT1515	Organism	SARS coronavirus	SARS coronavirus	Inhibition	<	25.0	%	PMID[453783]
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	=	0.22	ug.mL-1	PMID[453784]
NPT27	Others	Unspecified		Ratio IC50/EC50	=	8.0	n.a.	PMID[453784]
NPT27	Others	Unspecified		CC50	=	105100.0	nM	PMID[453786]
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	IC50	=	21400.0	nM	PMID[453786]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	ED50	=	16.0	ug ml-1	PMID[453787]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	ED50	=	0.1	ug ml-1	PMID[453787]
NPT745	Individual Protein	G-protein coupled bile acid receptor 1	Homo sapiens	EC50	=	4710.0	nM	PMID[453788]
NPT745	Individual Protein	G-protein coupled bile acid receptor 1	Homo sapiens	Efficacy	=	217.0	%	PMID[453788]
NPT856	Organism	Semliki forest virus	Semliki forest virus	Activity	=	13.0	%	PMID[453789]
NPT27	Others	Unspecified		Activity	=	89.0	%	PMID[453789]
NPT856	Organism	Semliki forest virus	Semliki forest virus	IC50	=	13300.0	nM	PMID[453789]
NPT856	Organism	Semliki forest virus	Semliki forest virus	IC50	=	13182.57	nM	PMID[453789]
NPT27	Others	Unspecified		Activity	>	80.0	%	PMID[453789]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	10420.0	nM	PMID[453791]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	10050.0	nM	PMID[453791]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	13.81	ug.mL-1	PMID[453792]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	16.77	ug.mL-1	PMID[453792]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	44.71	ug.mL-1	PMID[453792]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	>	50.0	ug.mL-1	PMID[453792]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	127.64	ug.mL-1	PMID[453792]
NPT174	Organism	Streptococcus	Streptococcus	EC50	=	2880.0	nM	PMID[453793]
NPT1252	Organism	Streptococcus sp. 'group A'	Streptococcus sp. 'group A'	EC50	=	1684.0	nM	PMID[453793]
NPT93	Individual Protein	Survival motor neuron protein	Homo sapiens	Potency	=	15848.9	nM	PMID[453793]
NPT791	Individual Protein	Cruzipain	Trypanosoma cruzi	Potency	=	5011.9	nM	PMID[453793]
NPT2	Others	Unspecified		IC50	=	71600.0	nM	PMID[453793]
NPT2	Others	Unspecified		IC50	=	3310.0	nM	PMID[453793]
NPT2	Others	Unspecified		IC50	>	80000.0	nM	PMID[453793]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency	n.a.	4147.5	nM	PMID[453793]
NPT8	Individual Protein	DNA polymerase iota	Homo sapiens	Potency	n.a.	1412.5	nM	PMID[453793]
NPT2	Others	Unspecified		Potency	n.a.	22387.2	nM	PMID[453793]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	12930.0	nM	PMID[453797]
NPT633	Organism	Leishmania donovani	Leishmania donovani	GI	=	45.9	%	PMID[453798]
NPT633	Organism	Leishmania donovani	Leishmania donovani	GI	=	98.6	%	PMID[453798]
NPT831	Individual Protein	Serine/threonine-protein kinase PLK1	Homo sapiens	Potency	n.a.	13371.4	nM	PMID[453793]
NPT2	Others	Unspecified		Potency	n.a.	14125.4	nM	PMID[453793]
NPT1208	Organism	Leishmania braziliensis	Leishmania braziliensis	Inhibition	=	50.0	%	PMID[453799]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	13900.0	nM	PMID[453800]
NPT2	Others	Unspecified		Potency	n.a.	28183.8	nM	PMID[453793]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	IC50	=	5700.0	nM	PMID[453802]
NPT2	Others	Unspecified		Ratio CC50/IC50	=	6.2	n.a.	PMID[453802]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	EC50	=	29000.0	nM	PMID[453803]
NPT27	Others	Unspecified		EC50	=	13100.0	nM	PMID[453803]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	14000.0	nM	PMID[453805]
NPT2	Others	Unspecified		IC50	=	16180.0	nM	PMID[453806]
NPT2	Others	Unspecified		Ratio IC50	=	2.838	n.a.	PMID[453806]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	7870.0	nM	PMID[453808]
NPT2	Others	Unspecified		Ratio CC50/IC50	=	19.12	n.a.	PMID[453808]
NPT2	Others	Unspecified		IC50	=	11200.0	nM	PMID[453809]
NPT2	Others	Unspecified		IC50	=	14900.0	nM	PMID[453809]

☑ 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 NPC192744 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	162
0.1-0.2	1727
0.2-0.3	9769
0.3-0.4	14137
0.4-0.5	6165
0.5-0.6	5489
0.6-0.7	3828
0.7-0.8	1264
0.8-0.85	89
0.85-0.9	49
0.9-0.95	15
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9726	High Similarity	NPC68828
0.9481	High Similarity	NPC472740
0.9459	High Similarity	NPC66105
0.9333	High Similarity	NPC63020
0.9324	High Similarity	NPC246445
0.9241	High Similarity	NPC201655
0.9211	High Similarity	NPC201459
0.92	High Similarity	NPC471035
0.92	High Similarity	NPC212661
0.9178	High Similarity	NPC161187
0.9178	High Similarity	NPC330659
0.9178	High Similarity	NPC36310
0.9178	High Similarity	NPC244708
0.9067	High Similarity	NPC20466
0.9	High Similarity	NPC264317
0.9	High Similarity	NPC294438
0.8974	High Similarity	NPC474484
0.8974	High Similarity	NPC103754
0.8974	High Similarity	NPC147066
0.8904	High Similarity	NPC108131
0.8902	High Similarity	NPC474719
0.8889	High Similarity	NPC2783
0.8889	High Similarity	NPC12774
0.8831	High Similarity	NPC321690
0.88	High Similarity	NPC255168
0.878	High Similarity	NPC269360
0.878	High Similarity	NPC264005
0.878	High Similarity	NPC33768
0.875	High Similarity	NPC475726
0.875	High Similarity	NPC472743
0.875	High Similarity	NPC245866
0.875	High Similarity	NPC175410
0.8734	High Similarity	NPC267691
0.8734	High Similarity	NPC162632
0.8734	High Similarity	NPC38350
0.8734	High Similarity	NPC263272
0.8734	High Similarity	NPC274050
0.8734	High Similarity	NPC201912
0.8718	High Similarity	NPC215843
0.8718	High Similarity	NPC477371
0.8675	High Similarity	NPC16377
0.8675	High Similarity	NPC471900
0.8675	High Similarity	NPC4309
0.8667	High Similarity	NPC279241
0.8659	High Similarity	NPC70661
0.8642	High Similarity	NPC474482
0.8642	High Similarity	NPC475745
0.8642	High Similarity	NPC474233
0.8625	High Similarity	NPC251779
0.8625	High Similarity	NPC260956
0.8625	High Similarity	NPC69101
0.8625	High Similarity	NPC320514
0.8571	High Similarity	NPC247312
0.8571	High Similarity	NPC89294
0.8571	High Similarity	NPC271974
0.8571	High Similarity	NPC57954
0.8571	High Similarity	NPC220498
0.8571	High Similarity	NPC213832
0.8537	High Similarity	NPC29447
0.8537	High Similarity	NPC292553
0.8519	High Similarity	NPC70834
0.8519	High Similarity	NPC471037
0.8519	High Similarity	NPC167103
0.8519	High Similarity	NPC69279
0.8519	High Similarity	NPC83569
0.85	High Similarity	NPC477372
0.85	High Similarity	NPC232625
0.85	High Similarity	NPC471898
0.8488	Intermediate Similarity	NPC244356
0.8488	Intermediate Similarity	NPC224060
0.8481	Intermediate Similarity	NPC16394
0.8481	Intermediate Similarity	NPC471475
0.8481	Intermediate Similarity	NPC231431
0.8481	Intermediate Similarity	NPC158846
0.8471	Intermediate Similarity	NPC169933
0.8462	Intermediate Similarity	NPC106078
0.8462	Intermediate Similarity	NPC471897
0.8462	Intermediate Similarity	NPC107039
0.8462	Intermediate Similarity	NPC471899
0.8434	Intermediate Similarity	NPC472738
0.8434	Intermediate Similarity	NPC80590
0.8415	Intermediate Similarity	NPC74595
0.8415	Intermediate Similarity	NPC264665
0.8415	Intermediate Similarity	NPC96095
0.8415	Intermediate Similarity	NPC475509
0.8415	Intermediate Similarity	NPC263974
0.8395	Intermediate Similarity	NPC145143
0.8395	Intermediate Similarity	NPC477858
0.8395	Intermediate Similarity	NPC170985
0.8395	Intermediate Similarity	NPC133391
0.8378	Intermediate Similarity	NPC473225
0.8378	Intermediate Similarity	NPC290445
0.8378	Intermediate Similarity	NPC36616
0.8375	Intermediate Similarity	NPC37038
0.8372	Intermediate Similarity	NPC471901
0.8372	Intermediate Similarity	NPC160506
0.8372	Intermediate Similarity	NPC475416
0.8356	Intermediate Similarity	NPC43300
0.8356	Intermediate Similarity	NPC42060
0.8354	Intermediate Similarity	NPC260385
0.8354	Intermediate Similarity	NPC280654
0.8354	Intermediate Similarity	NPC110094
0.8333	Intermediate Similarity	NPC4643
0.8333	Intermediate Similarity	NPC96496
0.8333	Intermediate Similarity	NPC134197
0.8333	Intermediate Similarity	NPC57469
0.8333	Intermediate Similarity	NPC136948
0.8313	Intermediate Similarity	NPC98270
0.8293	Intermediate Similarity	NPC168188
0.8293	Intermediate Similarity	NPC477373
0.8293	Intermediate Similarity	NPC470015
0.8276	Intermediate Similarity	NPC473690
0.8276	Intermediate Similarity	NPC291373
0.8276	Intermediate Similarity	NPC475061
0.8276	Intermediate Similarity	NPC471902
0.8276	Intermediate Similarity	NPC287118
0.8272	Intermediate Similarity	NPC142244
0.8267	Intermediate Similarity	NPC474962
0.825	Intermediate Similarity	NPC199595
0.8235	Intermediate Similarity	NPC211162
0.8235	Intermediate Similarity	NPC146937
0.8235	Intermediate Similarity	NPC472739
0.8235	Intermediate Similarity	NPC183374
0.8228	Intermediate Similarity	NPC238227
0.8214	Intermediate Similarity	NPC98236
0.8214	Intermediate Similarity	NPC155011
0.8214	Intermediate Similarity	NPC472505
0.8214	Intermediate Similarity	NPC269396
0.8182	Intermediate Similarity	NPC277399
0.8182	Intermediate Similarity	NPC303863
0.8158	Intermediate Similarity	NPC91369
0.8148	Intermediate Similarity	NPC104545
0.8148	Intermediate Similarity	NPC164999
0.8148	Intermediate Similarity	NPC267517
0.814	Intermediate Similarity	NPC262043
0.814	Intermediate Similarity	NPC474570
0.814	Intermediate Similarity	NPC24772
0.814	Intermediate Similarity	NPC116146
0.8133	Intermediate Similarity	NPC100917
0.8133	Intermediate Similarity	NPC31187
0.8133	Intermediate Similarity	NPC281203
0.8133	Intermediate Similarity	NPC469724
0.8125	Intermediate Similarity	NPC476810
0.8118	Intermediate Similarity	NPC173089
0.8118	Intermediate Similarity	NPC474684
0.8118	Intermediate Similarity	NPC158141
0.8118	Intermediate Similarity	NPC142361
0.8118	Intermediate Similarity	NPC93778
0.8108	Intermediate Similarity	NPC103734
0.8108	Intermediate Similarity	NPC268736
0.8108	Intermediate Similarity	NPC477931
0.8101	Intermediate Similarity	NPC104806
0.8095	Intermediate Similarity	NPC311702
0.8095	Intermediate Similarity	NPC474537
0.8095	Intermediate Similarity	NPC269638
0.8095	Intermediate Similarity	NPC76518
0.8095	Intermediate Similarity	NPC123319
0.8095	Intermediate Similarity	NPC94531
0.8077	Intermediate Similarity	NPC18819
0.8077	Intermediate Similarity	NPC46610
0.8072	Intermediate Similarity	NPC5280
0.8072	Intermediate Similarity	NPC200752
0.8072	Intermediate Similarity	NPC477852
0.8052	Intermediate Similarity	NPC72343
0.8049	Intermediate Similarity	NPC278459
0.8049	Intermediate Similarity	NPC221647
0.8049	Intermediate Similarity	NPC3915
0.8026	Intermediate Similarity	NPC196197
0.8026	Intermediate Similarity	NPC319671
0.8026	Intermediate Similarity	NPC476734
0.8026	Intermediate Similarity	NPC469941
0.8026	Intermediate Similarity	NPC252032
0.8025	Intermediate Similarity	NPC118987
0.8023	Intermediate Similarity	NPC1753
0.8023	Intermediate Similarity	NPC474511
0.8023	Intermediate Similarity	NPC255176
0.8023	Intermediate Similarity	NPC474474
0.8	Intermediate Similarity	NPC187545
0.8	Intermediate Similarity	NPC475007
0.8	Intermediate Similarity	NPC130459
0.8	Intermediate Similarity	NPC74685
0.8	Intermediate Similarity	NPC165711
0.8	Intermediate Similarity	NPC478180
0.8	Intermediate Similarity	NPC474221
0.8	Intermediate Similarity	NPC55309
0.8	Intermediate Similarity	NPC143133
0.8	Intermediate Similarity	NPC298168
0.8	Intermediate Similarity	NPC28252
0.7976	Intermediate Similarity	NPC221758
0.7976	Intermediate Similarity	NPC85774
0.7976	Intermediate Similarity	NPC156981
0.7976	Intermediate Similarity	NPC214043
0.7976	Intermediate Similarity	NPC476038
0.7976	Intermediate Similarity	NPC165064
0.7976	Intermediate Similarity	NPC194937
0.7976	Intermediate Similarity	NPC59453
0.7976	Intermediate Similarity	NPC82902
0.7975	Intermediate Similarity	NPC201027
0.7975	Intermediate Similarity	NPC192540
0.7975	Intermediate Similarity	NPC279666

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 NPC192744 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	167
0.1-0.2	2162
0.2-0.3	4335
0.3-0.4	1643
0.4-0.5	425
0.5-0.6	172
0.6-0.7	163
0.7-0.8	78
0.8-0.85	4
0.85-0.9	0
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9	High Similarity	NPD7520	Clinical (unspecified phase)
0.8372	Intermediate Similarity	NPD8034	Phase 2
0.8372	Intermediate Similarity	NPD8035	Phase 2
0.8356	Intermediate Similarity	NPD4224	Phase 2
0.8293	Intermediate Similarity	NPD4788	Approved
0.8289	Intermediate Similarity	NPD6081	Approved
0.7976	Intermediate Similarity	NPD4786	Approved
0.7952	Intermediate Similarity	NPD4223	Phase 3
0.7952	Intermediate Similarity	NPD4221	Approved
0.7895	Intermediate Similarity	NPD5360	Phase 3
0.7895	Intermediate Similarity	NPD5361	Clinical (unspecified phase)
0.7882	Intermediate Similarity	NPD5329	Approved
0.7865	Intermediate Similarity	NPD6399	Phase 3
0.7848	Intermediate Similarity	NPD6113	Clinical (unspecified phase)
0.7816	Intermediate Similarity	NPD7513	Clinical (unspecified phase)
0.7791	Intermediate Similarity	NPD6098	Approved
0.7765	Intermediate Similarity	NPD4197	Approved
0.7753	Intermediate Similarity	NPD7515	Phase 2
0.7738	Intermediate Similarity	NPD3667	Approved
0.7692	Intermediate Similarity	NPD4789	Approved
0.7683	Intermediate Similarity	NPD3617	Approved
0.7654	Intermediate Similarity	NPD6117	Approved
0.7614	Intermediate Similarity	NPD5737	Approved
0.7614	Intermediate Similarity	NPD6672	Approved
0.7595	Intermediate Similarity	NPD4808	Clinical (unspecified phase)
0.7595	Intermediate Similarity	NPD4809	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD5330	Approved
0.7586	Intermediate Similarity	NPD6409	Approved
0.7586	Intermediate Similarity	NPD4689	Approved
0.7586	Intermediate Similarity	NPD7521	Approved
0.7586	Intermediate Similarity	NPD7334	Approved
0.7586	Intermediate Similarity	NPD4693	Phase 3
0.7586	Intermediate Similarity	NPD4690	Approved
0.7586	Intermediate Similarity	NPD7146	Approved
0.7586	Intermediate Similarity	NPD4138	Approved
0.7586	Intermediate Similarity	NPD6684	Approved
0.7586	Intermediate Similarity	NPD5205	Approved
0.7586	Intermediate Similarity	NPD4688	Approved
0.7582	Intermediate Similarity	NPD7748	Approved
0.7561	Intermediate Similarity	NPD6116	Phase 1
0.7558	Intermediate Similarity	NPD3665	Phase 1
0.7558	Intermediate Similarity	NPD3666	Approved
0.7558	Intermediate Similarity	NPD3133	Approved
0.7556	Intermediate Similarity	NPD5281	Approved
0.7556	Intermediate Similarity	NPD5284	Approved
0.7528	Intermediate Similarity	NPD6673	Approved
0.7528	Intermediate Similarity	NPD5328	Approved
0.7528	Intermediate Similarity	NPD6080	Approved
0.7528	Intermediate Similarity	NPD6904	Approved
0.7528	Intermediate Similarity	NPD7285	Clinical (unspecified phase)
0.7527	Intermediate Similarity	NPD6084	Phase 2
0.7527	Intermediate Similarity	NPD6083	Phase 2
0.75	Intermediate Similarity	NPD3171	Clinical (unspecified phase)
0.747	Intermediate Similarity	NPD6115	Approved
0.747	Intermediate Similarity	NPD6697	Approved
0.747	Intermediate Similarity	NPD6118	Approved
0.747	Intermediate Similarity	NPD6114	Approved
0.7468	Intermediate Similarity	NPD4244	Approved
0.7468	Intermediate Similarity	NPD4245	Approved
0.7416	Intermediate Similarity	NPD5208	Approved
0.7416	Intermediate Similarity	NPD6903	Approved
0.7412	Intermediate Similarity	NPD4692	Approved
0.7412	Intermediate Similarity	NPD4139	Approved
0.7386	Intermediate Similarity	NPD5690	Phase 2
0.7386	Intermediate Similarity	NPD3618	Phase 1
0.7386	Intermediate Similarity	NPD4694	Approved
0.7386	Intermediate Similarity	NPD5280	Approved
0.7375	Intermediate Similarity	NPD5777	Approved
0.7375	Intermediate Similarity	NPD4758	Discontinued
0.7363	Intermediate Similarity	NPD6079	Approved
0.7342	Intermediate Similarity	NPD3699	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD3700	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD3698	Phase 2
0.734	Intermediate Similarity	NPD7902	Approved
0.7333	Intermediate Similarity	NPD4753	Phase 2
0.7317	Intermediate Similarity	NPD3702	Approved
0.7312	Intermediate Similarity	NPD5695	Phase 3
0.7263	Intermediate Similarity	NPD5696	Approved
0.725	Intermediate Similarity	NPD4747	Approved
0.7191	Intermediate Similarity	NPD5279	Phase 3
0.7191	Intermediate Similarity	NPD3574	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD4195	Approved
0.7174	Intermediate Similarity	NPD6050	Approved
0.7174	Intermediate Similarity	NPD5693	Phase 1
0.716	Intermediate Similarity	NPD4243	Approved
0.7159	Intermediate Similarity	NPD3668	Phase 3
0.7128	Intermediate Similarity	NPD6356	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD4137	Phase 3
0.7097	Intermediate Similarity	NPD4202	Approved
0.7093	Intermediate Similarity	NPD4695	Discontinued
0.7065	Intermediate Similarity	NPD5207	Approved
0.7065	Intermediate Similarity	NPD5692	Phase 3
0.7059	Intermediate Similarity	NPD5364	Discontinued
0.7053	Intermediate Similarity	NPD7614	Phase 1
0.7037	Intermediate Similarity	NPD4691	Approved
0.7021	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD7900	Approved
0.7021	Intermediate Similarity	NPD6001	Approved
0.7	Intermediate Similarity	NPD4519	Discontinued
0.7	Intermediate Similarity	NPD6402	Approved
0.7	Intermediate Similarity	NPD6675	Approved
0.7	Intermediate Similarity	NPD5739	Approved
0.7	Intermediate Similarity	NPD4623	Approved
0.7	Intermediate Similarity	NPD3621	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD7128	Approved
0.6989	Remote Similarity	NPD5694	Approved
0.6988	Remote Similarity	NPD5733	Approved
0.6988	Remote Similarity	NPD4785	Approved
0.6988	Remote Similarity	NPD4784	Approved
0.6947	Remote Similarity	NPD5210	Approved
0.6947	Remote Similarity	NPD4629	Approved
0.6923	Remote Similarity	NPD3573	Approved
0.6907	Remote Similarity	NPD7638	Approved
0.6905	Remote Similarity	NPD3703	Phase 2
0.6905	Remote Similarity	NPD7339	Approved
0.6905	Remote Similarity	NPD6942	Approved
0.6897	Remote Similarity	NPD7525	Registered
0.6882	Remote Similarity	NPD4096	Approved
0.6875	Remote Similarity	NPD5222	Approved
0.6875	Remote Similarity	NPD5221	Approved
0.6875	Remote Similarity	NPD4697	Phase 3
0.6875	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD7320	Approved
0.6863	Remote Similarity	NPD6899	Approved
0.6863	Remote Similarity	NPD6881	Approved
0.686	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6837	Remote Similarity	NPD7640	Approved
0.6837	Remote Similarity	NPD6404	Discontinued
0.6837	Remote Similarity	NPD7639	Approved
0.6804	Remote Similarity	NPD5173	Approved
0.6804	Remote Similarity	NPD4755	Approved
0.6796	Remote Similarity	NPD6373	Approved
0.6796	Remote Similarity	NPD6372	Approved
0.6786	Remote Similarity	NPD4687	Approved
0.6786	Remote Similarity	NPD4058	Approved
0.6765	Remote Similarity	NPD5701	Approved
0.6765	Remote Similarity	NPD5697	Approved
0.6747	Remote Similarity	NPD5276	Approved
0.6737	Remote Similarity	NPD5133	Approved
0.6731	Remote Similarity	NPD6883	Approved
0.6731	Remote Similarity	NPD7102	Approved
0.6731	Remote Similarity	NPD7290	Approved
0.6706	Remote Similarity	NPD5275	Approved
0.6706	Remote Similarity	NPD4190	Phase 3
0.6699	Remote Similarity	NPD6011	Approved
0.6667	Remote Similarity	NPD3671	Phase 1
0.6667	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6869	Approved
0.6667	Remote Similarity	NPD4700	Approved
0.6667	Remote Similarity	NPD5286	Approved
0.6667	Remote Similarity	NPD6649	Approved
0.6667	Remote Similarity	NPD4696	Approved
0.6667	Remote Similarity	NPD6847	Approved
0.6667	Remote Similarity	NPD5285	Approved
0.6667	Remote Similarity	NPD4518	Approved
0.6667	Remote Similarity	NPD8130	Phase 1
0.6667	Remote Similarity	NPD6650	Approved
0.6667	Remote Similarity	NPD6617	Approved
0.6635	Remote Similarity	NPD6013	Approved
0.6635	Remote Similarity	NPD6014	Approved
0.6635	Remote Similarity	NPD6012	Approved
0.6634	Remote Similarity	NPD6052	Approved
0.6628	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6604	Remote Similarity	NPD6882	Approved
0.6604	Remote Similarity	NPD8297	Approved
0.6602	Remote Similarity	NPD6412	Phase 2
0.66	Remote Similarity	NPD5223	Approved
0.6598	Remote Similarity	NPD5654	Approved
0.6591	Remote Similarity	NPD7645	Phase 2
0.6588	Remote Similarity	NPD6926	Approved
0.6588	Remote Similarity	NPD6924	Approved
0.6556	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.6542	Remote Similarity	NPD8133	Approved
0.6535	Remote Similarity	NPD5091	Approved
0.6535	Remote Similarity	NPD5224	Approved
0.6535	Remote Similarity	NPD5211	Phase 2
0.6535	Remote Similarity	NPD5226	Approved
0.6535	Remote Similarity	NPD5225	Approved
0.6535	Remote Similarity	NPD4633	Approved
0.6531	Remote Similarity	NPD7732	Phase 3
0.6514	Remote Similarity	NPD7115	Discovery
0.6471	Remote Similarity	NPD4754	Approved
0.6471	Remote Similarity	NPD5174	Approved
0.6471	Remote Similarity	NPD5175	Approved
0.6465	Remote Similarity	NPD5959	Approved
0.6442	Remote Similarity	NPD6614	Approved
0.6437	Remote Similarity	NPD6933	Approved
0.6422	Remote Similarity	NPD6868	Approved
0.6421	Remote Similarity	NPD6051	Approved
0.6408	Remote Similarity	NPD5141	Approved
0.64	Remote Similarity	NPD615	Clinical (unspecified phase)
0.6389	Remote Similarity	NPD4632	Approved
0.6373	Remote Similarity	NPD7632	Discontinued
0.6346	Remote Similarity	NPD6008	Approved
0.6346	Remote Similarity	NPD4768	Approved
0.6346	Remote Similarity	NPD4767	Approved
0.6333	Remote Similarity	NPD5368	Approved
0.631	Remote Similarity	NPD6923	Approved
0.631	Remote Similarity	NPD6922	Approved
0.6306	Remote Similarity	NPD6335	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