NPASS Compound

Structure

CID25495 OpenBabel06191715352D 27 29 0 0 0 0 0 0 0 0999 V2000 4.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 18 2 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 22 2 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	374.1
Volume:	360.741
LogP:	2.772
LogD:	2.525
LogS:	-4.077
# Rotatable Bonds:	5
TPSA:	107.59
# H-Bond Aceptor:	8
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	8

MedChem Properties

QED Drug-Likeness Score:	0.702
Synthetic Accessibility Score:	2.465
Fsp3:	0.211
Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Accepted
GSK Rule:	Accepted
BMS Rule:	0
Golden Triangle Rule:	Accepted
Chelating Alert:	1
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-4.813
MDCK Permeability:	2.488086283847224e-05
Pgp-inhibitor:	0.998
Pgp-substrate:	0.001
Human Intestinal Absorption (HIA):	0.015
20% Bioavailability (F20%):	0.003
30% Bioavailability (F30%):	0.003

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.006
Plasma Protein Binding (PPB):	84.4142837524414%
Volume Distribution (VD):	0.823
Pgp-substrate:	21.809499740600586%

ADMET: Metabolism

CYP1A2-inhibitor:	0.583
CYP1A2-substrate:	0.979
CYP2C19-inhibitor:	0.313
CYP2C19-substrate:	0.381
CYP2C9-inhibitor:	0.727
CYP2C9-substrate:	0.824
CYP2D6-inhibitor:	0.106
CYP2D6-substrate:	0.809
CYP3A4-inhibitor:	0.487
CYP3A4-substrate:	0.427

ADMET: Excretion

Clearance (CL):	4.28
Half-life (T1/2):	0.808

ADMET: Toxicity

hERG Blockers:	0.089
Human Hepatotoxicity (H-HT):	0.109
Drug-inuced Liver Injury (DILI):	0.962
AMES Toxicity:	0.402
Rat Oral Acute Toxicity:	0.348
Maximum Recommended Daily Dose:	0.054
Skin Sensitization:	0.261
Carcinogencity:	0.032
Eye Corrosion:	0.003
Eye Irritation:	0.631
Respiratory Toxicity:	0.228

Download Data

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

Natural Product: NPC25495

Natural Product ID:	NPC25495
*Common Name:**	Casticin
IUPAC Name:	5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
Synonyms:	Casticin; Vitexicarpin
Standard InCHIKey:	PJQLSMYMOKWUJG-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
SMILES:	COc1ccc(cc1O)c1c(c(=O)c2c(cc(c(c2O)OC)OC)o1)OC
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL452767
PubChem CID:	5315263
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000261] Phenylpropanoids and polyketides [CHEMONTID:0000334] Flavonoids [CHEMONTID:0002585] O-methylated flavonoids [CHEMONTID:0002592] 7-O-methylated flavonoids

*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
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	stem	n.a.	DOI[10.1007/s11418-006-0112-9]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	leaf	n.a.	DOI[10.1007/s11418-006-0112-9]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	flower	n.a.	DOI[10.1007/s11418-006-0112-9]
NPO24630	Sophora exigua	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	DOI[10.1016/0031-9422(92)80056-K]
NPO17829	Ibervillea sonorae	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1055/s-2007-967117]
NPO11199	Agelas nakamurai	Species	Agelasidae	Eukaryota	n.a.	at a depth of 14 m near the island of Ambon (Seram Seilale), Indonesia	1997-AUG	PMID[10514317]
NPO15454	Vitex rotundifolia	Species	Lamiaceae	Eukaryota	Fruits	n.a.	n.a.	PMID[10579867]
NPO24630	Sophora exigua	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10839220]
NPO10406	Plectranthus cylindraceus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11141110]
NPO15454	Vitex rotundifolia	Species	Lamiaceae	Eukaryota	subterranean part	n.a.	n.a.	PMID[11374949]
NPO15454	Vitex rotundifolia	Species	Lamiaceae	Eukaryota	n.a.	fruit	n.a.	PMID[11536386]
NPO15454	Vitex rotundifolia	Species	Lamiaceae	Eukaryota	fruits	n.a.	n.a.	PMID[11975496]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12357398]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12483566]
NPO22051	Litsea verticillata	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12762792]
NPO14602	Vitex negundo	Species	Lamiaceae	Eukaryota	leaves	n.a.	n.a.	PMID[12828478]
NPO11199	Agelas nakamurai	Species	Agelasidae	Eukaryota	n.a.	n.a.	n.a.	PMID[14677933]
NPO25324	Phorbas amaranthus	Species	Hymedesmiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[15104518]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15497948]
NPO14602	Vitex negundo	Species	Lamiaceae	Eukaryota	n.a.	root	n.a.	PMID[15520511]
NPO21373	Vitex trifolia	Species	Lamiaceae	Eukaryota	n.a.	fruit	n.a.	PMID[15577254]
NPO20756	Aspergillus unilateralis	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15602607]
NPO14602	Vitex negundo	Species	Lamiaceae	Eukaryota	seeds	n.a.	n.a.	PMID[15620254]
NPO21373	Vitex trifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15621610]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15921417]
NPO12907	Hypericum carinatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15921431]
NPO17785	Avrainvillea nigricans	Species	Udoteaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16180830]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16209910]
NPO14602	Vitex negundo	Species	Lamiaceae	Eukaryota	seeds	n.a.	n.a.	PMID[1624939]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16499339]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16872138]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16904330]
NPO22123	Disepalum plagioneurum	Species	Annonaceae	Eukaryota	leaves	Tam Kim, Cao Bang Province, in North Vietnam	2000-JUN	PMID[16989521]
NPO14602	Vitex negundo	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[17027268]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[17125234]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[17827664]
NPO1905	Fagraea fragrans	Species	Gentianaceae	Eukaryota	bark and leaves	Koh Kong Province, Cambodia	2005-DEC	PMID[19053508]
NPO17126	Callicarpa pilosissima	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19193025]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19246197]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	Ginkgo biloba	n.a.	n.a.	PMID[19246197]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	leaves	n.a.	n.a.	PMID[19327990]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19427327]
NPO14602	Vitex negundo	Species	Lamiaceae	Eukaryota	Seeds	n.a.	n.a.	PMID[19715321]
NPO14602	Vitex negundo	Species	Lamiaceae	Eukaryota	Seeds	n.a.	n.a.	PMID[19931461]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20225834]
NPO20954	Haloxylon salicornicum	Species	Chenopodiaceae	Eukaryota	whole plant	Cholistan desert near district Bahawalpur (Punjab), Pakistan	2003-Oct	PMID[20542692]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20814854]
NPO23218	Viscum coloratum	Species	Viscaceae	Eukaryota	n.a.	aerial part	n.a.	PMID[2082684]
NPO25772	Lippia mexicana	Species	Verbenaceae	Eukaryota	n.a.	stem	n.a.	PMID[20942442]
NPO25772	Lippia mexicana	Species	Verbenaceae	Eukaryota	n.a.	flower	n.a.	PMID[20942442]
NPO25772	Lippia mexicana	Species	Verbenaceae	Eukaryota	n.a.	leaf	n.a.	PMID[20942442]
NPO18212	Rhododendron ferrugineum	Species	Ericaceae	Eukaryota	n.a.	leaf	n.a.	PMID[21443171]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	isolated from the leaves of Viguiera robusta	n.a.	n.a.	PMID[21548578]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21548578]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	mycelium	n.a.	PMID[21548578]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21640594]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21854043]
NPO1610	Eremophila mitchellii	Species	Scrophulariaceae	Eukaryota	n.a.	leaf	n.a.	PMID[21877688]
NPO23218	Viscum coloratum	Species	Viscaceae	Eukaryota	n.a.	aerial part	n.a.	PMID[21922656]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22112725]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	Stems	n.a.	n.a.	PMID[22372931]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22593034]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23072467]
NPO21373	Vitex trifolia	Species	Lamiaceae	Eukaryota	fruits	n.a.	n.a.	PMID[23327905]
NPO14602	Vitex negundo	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23403897]
NPO26819	Xanthium pungens	Species	Asteraceae	Eukaryota	burrs	n.a.	n.a.	PMID[2380717]
NPO26819	Xanthium pungens	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[2380717]
NPO15454	Vitex rotundifolia	Species	Lamiaceae	Eukaryota	fruits	n.a.	n.a.	PMID[24035341]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	Roots	n.a.	n.a.	PMID[24798144]
NPO24324	Halobacterium salinarum	Species	Halobacteriaceae	Archaea	n.a.	n.a.	n.a.	PMID[24823651]
NPO29083	Matricaria chamomilla	Species	Asteraceae	Eukaryota	n.a.	flower	n.a.	PMID[25051625]
NPO20712	Panax quinquefolius	Species	Araliaceae	Eukaryota	leaves and stems	n.a.	n.a.	PMID[25442304]
NPO11199	Agelas nakamurai	Species	Agelasidae	Eukaryota	n.a.	Okinawan	n.a.	PMID[26083682]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	Xichang of Sichuan Province, China	n.a.	PMID[26125976]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26343828]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	Leaves	n.a.	n.a.	PMID[26523463]
NPO18530	Shigella flexneri	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	PMID[26918643]
NPO25474	Ocotea pulchella	Species	Lauraceae	Eukaryota	n.a.	leaf	n.a.	PMID[27482860]
NPO25474	Ocotea pulchella	Species	Lauraceae	Eukaryota	n.a.	stem	n.a.	PMID[27482860]
NPO25474	Ocotea pulchella	Species	Lauraceae	Eukaryota	n.a.	root	n.a.	PMID[27482860]
NPO8912	Daphne giraldii	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27627130]
NPO6879	Laetia corymbulosa	Species	Salicaceae	Eukaryota	Bark	n.a.	n.a.	PMID[28290698]
NPO8912	Daphne giraldii	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28371676]
NPO21373	Vitex trifolia	Species	Lamiaceae	Eukaryota	Leaves	n.a.	n.a.	PMID[28453270]
NPO1436	Houttuynia cordata	Species	Saururaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29099182]
NPO24447	Thalictrum cultratum	Species	Ranunculaceae	Eukaryota	Roots	n.a.	n.a.	PMID[29131616]
NPO23218	Viscum coloratum	Species	Viscaceae	Eukaryota	n.a.	aerial part	n.a.	PMID[3254039]
NPO23218	Viscum coloratum	Species	Viscaceae	Eukaryota	n.a.	aerial part	n.a.	PMID[3256207]
NPO25583	Beta vulgaris	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33118348]
NPO28927	Gutierrezia microcephala	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[3655803]
NPO17785	Avrainvillea nigricans	Species	Udoteaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[3668556]
NPO26889	Chaetomium subaffine	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[436014]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[5066072]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[6387056]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7116505]
NPO11199	Agelas nakamurai	Species	Agelasidae	Eukaryota	n.a.	papua new guinean	n.a.	PMID[9784179]
NPO26889	Chaetomium subaffine	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[CiteXplore Id]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[CiteXplore Id]
NPO25583	Beta vulgaris	Species	Chenopodiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO25583	Beta vulgaris	Species	Chenopodiaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO25583	Beta vulgaris	Species	Chenopodiaceae	Eukaryota	Root	n.a.	n.a.	Database[FooDB]
NPO22819	Rodgersia podophylla	Species	Saxifragaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23178	Jasminum grandiflorum	Species	Oleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO18681	Artemisia scoparia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26049	Salvia digitaloides	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14602	Vitex negundo	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5648	Fritillaria ussuriensis	Species	Liliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14053	Digitalis thapsii	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO29083	Matricaria chamomilla	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO10506	Artemisia apiacea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26075	Afrormosia elata	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[HerDing]
NPO27753	Chrysosplenium tosaense	Species	Saxifragaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25520	Uncaria laevigata	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23218	Viscum coloratum	Species	Viscaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26744	Heliotropium eichwaldii	Species	Heliotropiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21373	Vitex trifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO12656	Holarrhena febrifuga	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17203	Impatiens siculifer	Species	Balsaminaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15454	Vitex rotundifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22051	Litsea verticillata	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO29812	Panax quinquefolium	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23135	Formica fusca	Species	Formicidae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19694	Senecio scandens	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22596	Semen artemisiae	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[HerDing]
NPO25583	Beta vulgaris	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO1436	Houttuynia cordata	Species	Saururaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26916	Thermopsis alpina	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22188	Piper aequale	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5619	Chrysosplenium japonicum	Species	Saxifragaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO27753	Chrysosplenium tosaense	Species	Saxifragaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1436	Houttuynia cordata	Species	Saururaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22819	Rodgersia podophylla	Species	Saxifragaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17203	Impatiens siculifer	Species	Balsaminaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20954	Haloxylon salicornicum	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18681	Artemisia scoparia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26916	Thermopsis alpina	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22188	Piper aequale	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22051	Litsea verticillata	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21373	Vitex trifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15454	Vitex rotundifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28927	Gutierrezia microcephala	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23135	Formica fusca	Species	Formicidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21875	Persea indica	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10506	Artemisia apiacea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26075	Afrormosia elata	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO5648	Fritillaria ussuriensis	Species	Liliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26457	Alpinia allughas	Species	Staphylinidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23178	Jasminum grandiflorum	Species	Oleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22596	Semen artemisiae	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO21594	Sporobolus cynosuroides	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29083	Matricaria chamomilla	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25520	Uncaria laevigata	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24447	Thalictrum cultratum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26001	Carlina acaulis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO27265	Hopea parviflora	Species	Dipterocarpaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5619	Chrysosplenium japonicum	Species	Saxifragaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26744	Heliotropium eichwaldii	Species	Heliotropiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26049	Salvia digitaloides	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25583	Beta vulgaris	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14602	Vitex negundo	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19694	Senecio scandens	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26677	Garcinia pseudoguttifera	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20712	Panax quinquefolius	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23218	Viscum coloratum	Species	Viscaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12656	Holarrhena febrifuga	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14053	Digitalis thapsii	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6879	Laetia corymbulosa	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10506	Artemisia apiacea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO26916	Thermopsis alpina	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14602	Vitex negundo	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO5648	Fritillaria ussuriensis	Species	Liliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21373	Vitex trifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO22051	Litsea verticillata	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO1436	Houttuynia cordata	Species	Saururaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO29083	Matricaria chamomilla	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO18681	Artemisia scoparia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO25583	Beta vulgaris	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO29812	Panax quinquefolium	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO23135	Formica fusca	Species	Formicidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO28927	Gutierrezia microcephala	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[Title]
NPO14602	Vitex negundo	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO23218	Viscum coloratum	Species	Viscaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO19694	Senecio scandens	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO15454	Vitex rotundifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO10506	Artemisia apiacea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO21373	Vitex trifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO5648	Fritillaria ussuriensis	Species	Liliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO1436	Houttuynia cordata	Species	Saururaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO20712	Panax quinquefolius	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO17743	Solanum aculeatum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26457	Alpinia allughas	Species	Staphylinidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22762	Eremophila serrulata	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26115	Asterogyne martiana	Species	Arecaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22123	Disepalum plagioneurum	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27447	Yucca aloifolia	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5648	Fritillaria ussuriensis	Species	Liliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26677	Garcinia pseudoguttifera	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5952	Phegopteris bukoensis	Species	Thelypteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10241	Afrocarpus falcatus	Species	Podocarpaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26709	Phyllanthus discoideus	Species	Leiothrichidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25474	Ocotea pulchella	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26889	Chaetomium subaffine	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25772	Lippia mexicana	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22785	Nicotiana debneyi	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4713	Eucalyptus cordata	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3796	Pseudomonas viridiflava	Species	Pseudomonadaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO23135	Formica fusca	Species	Formicidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22188	Piper aequale	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24510	Turricula parryi	Species	Namaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20052	Flemingia chappar	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12656	Holarrhena febrifuga	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18571	Drypetes roxburghii	Species	Putranjivaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26001	Carlina acaulis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23178	Jasminum grandiflorum	Species	Oleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14394	Hakea saligna	Species	Proteaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10406	Plectranthus cylindraceus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22582	Smenospongia echina	Species	Thorectidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5020	Jasonia montana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6879	Laetia corymbulosa	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3212	Bipolaris sorokiniana	Species	Pleosporaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22994	Cordyline indivisa	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26786	Berkheya zeyheri	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9599	Delphinium hybr	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11665	Kloeckera brevis	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO26975	Aloe vulgaris	Species	Asphodelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20360	Mentha pulegiformis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26525	Eriostemon thryptomenoides	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21298	Leucanthemum maximum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7080	Monascus purpureus	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27554	Doryanthes palmeri	Species	Doryanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27227	Matricaria occidentalis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19601	Albizia amara	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22710	Acrocomia sclerocarpa	Species	Arecaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24736	Acacia pycnantha	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22051	Litsea verticillata	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25520	Uncaria laevigata	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20808	Halopitys incurvus	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO20712	Panax quinquefolius	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16146	Osmundaria colensoi	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27836	Gymnodinium microadriaticum	Species	Gymnodiniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27073	Poranthera corymbosa	Species	Phyllanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24630	Sophora exigua	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25643	Streptomyces chattanoogensis	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO22454	Picris radicata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5306	Infundibulicybe catinus	Species	Tricholomataceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24834	Cystoseira jabukae	Species	Sargassaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21798	Dacrydium biforme	Species	Mytilidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20954	Haloxylon salicornicum	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26083	Eumorphia sericea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27519	Alternaria chrysanthemi	Species	Pleosporaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20253	Eucalyptus decorticans	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25402	Kuehneromyces mutabilis	Species	Strophariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1610	Eremophila mitchellii	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21373	Vitex trifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22323	Pinus picea	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28927	Gutierrezia microcephala	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22248	Alkanna hirsutissima	Species	Boraginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17126	Callicarpa pilosissima	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23218	Viscum coloratum	Species	Viscaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7865	Scapania nemorea	Species	Scapaniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17203	Impatiens siculifer	Species	Balsaminaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25093	Ericameria diffusa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20043	Vallaris solanacea	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20756	Aspergillus unilateralis	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26075	Afrormosia elata	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO12225	Amsinckia menziesii	Species	Boraginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27265	Hopea parviflora	Species	Dipterocarpaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18212	Rhododendron ferrugineum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20536	Salvia nubicola	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23684	Narcissus obesus	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24653	Calonectria cylindrospora	Species	Nectriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17785	Avrainvillea nigricans	Species	Udoteaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26916	Thermopsis alpina	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11199	Agelas nakamurai	Species	Agelasidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20678	Grindelia nana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15454	Vitex rotundifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21969	Veronicastrum virginicum	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5619	Chrysosplenium japonicum	Species	Saxifragaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28772	Polygonum mite	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25324	Phorbas amaranthus	Species	Hymedesmiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18359	Canella winterana	Species	Canellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10506	Artemisia apiacea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26483	Chrysosplenium echinus	Species	Saxifragaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13840	Streptomyces incarnatus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO19074	Buddleja variabilis	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27753	Chrysosplenium tosaense	Species	Saxifragaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23057	Primula hirsuta	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21477	Euryops rupestris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14247	Melaleuca uncinata	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20602	Trichomanes reniforme	Species	Hymenophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8912	Daphne giraldii	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26853	Baccharis magellanica	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22819	Rodgersia podophylla	Species	Saxifragaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27409	Scabiosa atropurpurea	Species	Caprifoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26312	Cirsium tanakae	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27533	Senecio bergii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14602	Vitex negundo	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21247	Nephroma australe	Species	Nephromataceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25910	Trichoderma polysporum	Species	Hypocreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20180	Rabdosia loxothyrsa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26210	Eupatorium birmanicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21736	Abies nobilis	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24324	Halobacterium salinarum	Species	Halobacteriaceae	Archaea	n.a.	n.a.	n.a.	Database[UNPD]
NPO26049	Salvia digitaloides	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO53	Nephelium mutabile	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26945	Crangon vulgaris	Species	Crangonidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20184	Streptomyces misawanensis	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21998	Corydalis cornuta	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27708	Mythimna separata	Species	0ctuidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21702	Decachaeta thieleana	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO19921	Polyphaga sinensis	Species	n.a.	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26645	Beilschmiedia volckii	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26744	Heliotropium eichwaldii	Species	Heliotropiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10235	Castanopsis eyrei	Species	Fagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21518	Senecio tricephalus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19748	Aspergillus phoenicis	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21113	Coronophora gregaria	Species	Nitschkiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21636	Didemnum inarmatum	Species	Didemnidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21594	Sporobolus cynosuroides	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12907	Hypericum carinatum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27304	Stevia sanguinea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11698	Drosera spatulata	Species	Droseraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19694	Senecio scandens	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21875	Persea indica	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21505	Calea megacephala	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24171	Chaetomium globosum	Species	Chaetomiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20399	Turbinellus floccosus	Species	Gomphaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26819	Xanthium pungens	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2839	Dovyalis abyssinica	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17108	Lecanora lividocinerea	Species	Lecanoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22940	Delphinium campylocentrum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18681	Artemisia scoparia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17829	Ibervillea sonorae	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1905	Fagraea fragrans	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6164	Lasiosiphon eriocephalus	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27355	Pseudokeronopsis rubra	Species	Pseudokeronopsidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24447	Thalictrum cultratum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3676	Fusarium sambucinum	Species	Nectriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26848	Ligularia lamarum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25583	Beta vulgaris	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22062	Leptothorax acervorum	Species	Formicidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18530	Shigella flexneri	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO27155	Aconitum nasutum	Species	Ranunculaceae	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
ED50	6
GI50	2
IC50	3
MIC	1
Others	3

Activity Type	# Activity
Cell Line	11
Organism	1
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1851	Cell Line	Col2	Homo sapiens	ED50	=	12.7	ug ml-1	PMID[489335]
NPT737	Cell Line	HUVEC	Homo sapiens	ED50	=	0.6	ug ml-1	PMID[489335]
NPT91	Cell Line	KB	Homo sapiens	ED50	=	0.2	ug ml-1	PMID[489335]
NPT858	Cell Line	LNCaP	Homo sapiens	ED50	=	0.5	ug ml-1	PMID[489335]
NPT1034	Cell Line	Lu1	Homo sapiens	ED50	=	0.8	ug ml-1	PMID[489335]
NPT681	Cell Line	PC-12	Rattus norvegicus	GI50	=	0.114	ug.mL-1	PMID[489336]
NPT393	Cell Line	HCT-116	Homo sapiens	GI50	=	0.119	ug.mL-1	PMID[489336]
NPT91	Cell Line	KB	Homo sapiens	IC50	=	97.0	nM	PMID[489339]
NPT116	Cell Line	HL-60	Homo sapiens	FC	=	5.3	n.a.	PMID[489339]
NPT113	Cell Line	RAW264.7	Mus musculus	Activity	>	90.0	%	PMID[489341]
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	21400.0	nM	PMID[489341]
NPT27	Others	Unspecified		ED50	=	0.2	ug ml-1	PMID[489335]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	213900.0	nM	PMID[489338]
NPT2	Others	Unspecified		IC50	=	19000.0	nM	PMID[489339]
NPT2	Others	Unspecified		Ratio IC50	=	6.8	n.a.	PMID[489339]

☑ 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 NPC25495 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	443
0.1-0.2	1941
0.2-0.3	5049
0.3-0.4	11261
0.4-0.5	6084
0.5-0.6	3859
0.6-0.7	5174
0.7-0.8	4793
0.8-0.85	1954
0.85-0.9	1181
0.9-0.95	684
0.95-1	274

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC253634
1.0	High Similarity	NPC19687
1.0	High Similarity	NPC288669
1.0	High Similarity	NPC152166
1.0	High Similarity	NPC143828
1.0	High Similarity	NPC191459
1.0	High Similarity	NPC18607
1.0	High Similarity	NPC115798
1.0	High Similarity	NPC9609
1.0	High Similarity	NPC18772
1.0	High Similarity	NPC130894
1.0	High Similarity	NPC300943
1.0	High Similarity	NPC4481
1.0	High Similarity	NPC105242
1.0	High Similarity	NPC176300
1.0	High Similarity	NPC22472
1.0	High Similarity	NPC261004
1.0	High Similarity	NPC204854
1.0	High Similarity	NPC7846
0.9933	High Similarity	NPC101830
0.9933	High Similarity	NPC176665
0.9933	High Similarity	NPC189179
0.9933	High Similarity	NPC7973
0.9933	High Similarity	NPC227192
0.9933	High Similarity	NPC78302
0.9933	High Similarity	NPC163524
0.9933	High Similarity	NPC93376
0.9933	High Similarity	NPC203891
0.9933	High Similarity	NPC29841
0.9933	High Similarity	NPC235215
0.9933	High Similarity	NPC472438
0.9933	High Similarity	NPC110070
0.9933	High Similarity	NPC224137
0.9933	High Similarity	NPC287979
0.9933	High Similarity	NPC305663
0.9933	High Similarity	NPC75215
0.9868	High Similarity	NPC193842
0.9867	High Similarity	NPC43243
0.9867	High Similarity	NPC55619
0.9867	High Similarity	NPC200388
0.9867	High Similarity	NPC100916
0.9867	High Similarity	NPC474520
0.9867	High Similarity	NPC247017
0.9867	High Similarity	NPC268161
0.9867	High Similarity	NPC178854
0.9867	High Similarity	NPC266960
0.9867	High Similarity	NPC49824
0.9867	High Similarity	NPC245546
0.9867	High Similarity	NPC292107
0.9867	High Similarity	NPC98661
0.98	High Similarity	NPC214138
0.98	High Similarity	NPC196439
0.98	High Similarity	NPC50715
0.98	High Similarity	NPC32557
0.98	High Similarity	NPC189960
0.98	High Similarity	NPC167815
0.98	High Similarity	NPC92659
0.98	High Similarity	NPC4455
0.98	High Similarity	NPC2476
0.98	High Similarity	NPC44079
0.98	High Similarity	NPC280339
0.98	High Similarity	NPC201136
0.98	High Similarity	NPC138360
0.98	High Similarity	NPC163780
0.98	High Similarity	NPC26227
0.98	High Similarity	NPC128863
0.98	High Similarity	NPC201451
0.98	High Similarity	NPC183597
0.98	High Similarity	NPC146165
0.98	High Similarity	NPC227325
0.9735	High Similarity	NPC265511
0.9733	High Similarity	NPC276409
0.9733	High Similarity	NPC86485
0.9733	High Similarity	NPC250822
0.9733	High Similarity	NPC69394
0.9733	High Similarity	NPC162351
0.9733	High Similarity	NPC270620
0.9733	High Similarity	NPC78326
0.9733	High Similarity	NPC75279
0.9733	High Similarity	NPC183878
0.9733	High Similarity	NPC160951
0.9733	High Similarity	NPC22519
0.9733	High Similarity	NPC246204
0.9733	High Similarity	NPC231018
0.9733	High Similarity	NPC179126
0.9733	High Similarity	NPC274327
0.9733	High Similarity	NPC145379
0.9733	High Similarity	NPC236223
0.9733	High Similarity	NPC58382
0.9733	High Similarity	NPC176775
0.9733	High Similarity	NPC255350
0.9733	High Similarity	NPC47781
0.9673	High Similarity	NPC246478
0.9669	High Similarity	NPC256612
0.9669	High Similarity	NPC20830
0.9669	High Similarity	NPC208197
0.9669	High Similarity	NPC213622
0.9667	High Similarity	NPC57030
0.9667	High Similarity	NPC301123
0.9667	High Similarity	NPC83508
0.9667	High Similarity	NPC275722
0.9667	High Similarity	NPC120163
0.9667	High Similarity	NPC301323
0.9667	High Similarity	NPC82325
0.9667	High Similarity	NPC25270
0.9667	High Similarity	NPC279989
0.9667	High Similarity	NPC156222
0.9667	High Similarity	NPC198826
0.9667	High Similarity	NPC123886
0.9667	High Similarity	NPC27208
0.9667	High Similarity	NPC100887
0.9667	High Similarity	NPC256283
0.9667	High Similarity	NPC222830
0.9667	High Similarity	NPC293183
0.9667	High Similarity	NPC239128
0.9667	High Similarity	NPC187498
0.9667	High Similarity	NPC188203
0.9667	High Similarity	NPC142540
0.9667	High Similarity	NPC241498
0.9667	High Similarity	NPC162313
0.9667	High Similarity	NPC134677
0.9667	High Similarity	NPC275836
0.9667	High Similarity	NPC131624
0.9667	High Similarity	NPC212678
0.9667	High Similarity	NPC71334
0.9613	High Similarity	NPC470459
0.9608	High Similarity	NPC195832
0.96	High Similarity	NPC76376
0.96	High Similarity	NPC208043
0.96	High Similarity	NPC252933
0.96	High Similarity	NPC226973
0.96	High Similarity	NPC133953
0.96	High Similarity	NPC225731
0.96	High Similarity	NPC50403
0.96	High Similarity	NPC125062
0.96	High Similarity	NPC236769
0.96	High Similarity	NPC28274
0.96	High Similarity	NPC200740
0.96	High Similarity	NPC54394
0.9554	High Similarity	NPC76482
0.9551	High Similarity	NPC470457
0.9542	High Similarity	NPC470402
0.9536	High Similarity	NPC55205
0.9536	High Similarity	NPC39732
0.9536	High Similarity	NPC60972
0.9533	High Similarity	NPC201547
0.9533	High Similarity	NPC77858
0.9533	High Similarity	NPC219330
0.9533	High Similarity	NPC188871
0.9533	High Similarity	NPC50728
0.9533	High Similarity	NPC166753
0.9533	High Similarity	NPC286342
0.9533	High Similarity	NPC259058
0.9533	High Similarity	NPC306821
0.9533	High Similarity	NPC184136
0.9533	High Similarity	NPC149127
0.9494	High Similarity	NPC280493
0.949	High Similarity	NPC470462
0.9481	High Similarity	NPC152904
0.9477	High Similarity	NPC472916
0.947	High Similarity	NPC260895
0.947	High Similarity	NPC308451
0.9467	High Similarity	NPC328119
0.9467	High Similarity	NPC52005
0.9467	High Similarity	NPC48479
0.9467	High Similarity	NPC181250
0.9467	High Similarity	NPC177298
0.9467	High Similarity	NPC216318
0.9467	High Similarity	NPC259713
0.9467	High Similarity	NPC69752
0.9467	High Similarity	NPC183950
0.9467	High Similarity	NPC195351
0.9467	High Similarity	NPC87125
0.9467	High Similarity	NPC17286
0.9467	High Similarity	NPC270465
0.9467	High Similarity	NPC137062
0.9467	High Similarity	NPC159103
0.9467	High Similarity	NPC223579
0.9467	High Similarity	NPC296197
0.9467	High Similarity	NPC287101
0.943	High Similarity	NPC295082
0.943	High Similarity	NPC158761
0.943	High Similarity	NPC470456
0.9419	High Similarity	NPC263449
0.9419	High Similarity	NPC476980
0.9416	High Similarity	NPC471479
0.9416	High Similarity	NPC78225
0.9416	High Similarity	NPC474836
0.9416	High Similarity	NPC472910
0.9416	High Similarity	NPC471515
0.9416	High Similarity	NPC222814
0.9416	High Similarity	NPC174908
0.9416	High Similarity	NPC472913
0.9416	High Similarity	NPC48208
0.9416	High Similarity	NPC472914
0.9416	High Similarity	NPC96167
0.9416	High Similarity	NPC156057
0.9416	High Similarity	NPC162869
0.9416	High Similarity	NPC472911
0.9416	High Similarity	NPC245758

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 NPC25495 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	412
0.1-0.2	995
0.2-0.3	1855
0.3-0.4	2653
0.4-0.5	1746
0.5-0.6	972
0.6-0.7	353
0.7-0.8	110
0.8-0.85	32
0.85-0.9	13
0.9-0.95	7
0.95-1	2

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9733	High Similarity	NPD2801	Approved
0.9351	High Similarity	NPD3882	Suspended
0.9286	High Similarity	NPD3817	Phase 2
0.9267	High Similarity	NPD1512	Approved
0.9156	High Similarity	NPD1934	Approved
0.9141	High Similarity	NPD4338	Clinical (unspecified phase)
0.9133	High Similarity	NPD1511	Approved
0.9062	High Similarity	NPD6166	Phase 2
0.9062	High Similarity	NPD6168	Clinical (unspecified phase)
0.9062	High Similarity	NPD6167	Clinical (unspecified phase)
0.8974	High Similarity	NPD2393	Clinical (unspecified phase)
0.8902	High Similarity	NPD6797	Phase 2
0.8848	High Similarity	NPD7251	Discontinued
0.8834	High Similarity	NPD3818	Discontinued
0.8824	High Similarity	NPD4378	Clinical (unspecified phase)
0.8795	High Similarity	NPD7808	Phase 3
0.878	High Similarity	NPD7054	Approved
0.8727	High Similarity	NPD7472	Approved
0.8679	High Similarity	NPD5402	Approved
0.8614	High Similarity	NPD7074	Phase 3
0.8571	High Similarity	NPD7075	Discontinued
0.8516	High Similarity	NPD6799	Approved
0.8509	High Similarity	NPD4868	Clinical (unspecified phase)
0.8466	Intermediate Similarity	NPD5494	Approved
0.8438	Intermediate Similarity	NPD6801	Discontinued
0.8428	Intermediate Similarity	NPD4380	Phase 2
0.8415	Intermediate Similarity	NPD1247	Approved
0.8385	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8364	Intermediate Similarity	NPD6232	Discontinued
0.8344	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8323	Intermediate Similarity	NPD7473	Discontinued
0.8247	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8247	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8239	Intermediate Similarity	NPD5403	Approved
0.8235	Intermediate Similarity	NPD1510	Phase 2
0.8235	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.8228	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8204	Intermediate Similarity	NPD3926	Phase 2
0.8199	Intermediate Similarity	NPD6599	Discontinued
0.8194	Intermediate Similarity	NPD1549	Phase 2
0.8182	Intermediate Similarity	NPD2796	Approved
0.816	Intermediate Similarity	NPD1465	Phase 2
0.8113	Intermediate Similarity	NPD5401	Approved
0.8092	Intermediate Similarity	NPD943	Approved
0.8092	Intermediate Similarity	NPD1240	Approved
0.8072	Intermediate Similarity	NPD919	Approved
0.8049	Intermediate Similarity	NPD7819	Suspended
0.8012	Intermediate Similarity	NPD5844	Phase 1
0.8	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD1607	Approved
0.7962	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7927	Intermediate Similarity	NPD7411	Suspended
0.7925	Intermediate Similarity	NPD6190	Approved
0.7885	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.787	Intermediate Similarity	NPD6959	Discontinued
0.7834	Intermediate Similarity	NPD2935	Discontinued
0.7829	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7806	Intermediate Similarity	NPD230	Phase 1
0.7806	Intermediate Similarity	NPD447	Suspended
0.7791	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD6559	Discontinued
0.7763	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.775	Intermediate Similarity	NPD3750	Approved
0.7746	Intermediate Similarity	NPD3751	Discontinued
0.7744	Intermediate Similarity	NPD1653	Approved
0.7742	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7742	Intermediate Similarity	NPD1613	Approved
0.7719	Intermediate Similarity	NPD3787	Discontinued
0.7688	Intermediate Similarity	NPD2800	Approved
0.768	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7667	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7662	Intermediate Similarity	NPD3027	Phase 3
0.763	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7613	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.761	Intermediate Similarity	NPD1551	Phase 2
0.7598	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7588	Intermediate Similarity	NPD3749	Approved
0.7561	Intermediate Similarity	NPD2534	Approved
0.7561	Intermediate Similarity	NPD2532	Approved
0.7561	Intermediate Similarity	NPD2533	Approved
0.7558	Intermediate Similarity	NPD7199	Phase 2
0.7544	Intermediate Similarity	NPD6234	Discontinued
0.7532	Intermediate Similarity	NPD9494	Approved
0.7531	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD7768	Phase 2
0.75	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7487	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD3226	Approved
0.747	Intermediate Similarity	NPD920	Approved
0.7469	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD1933	Approved
0.7453	Intermediate Similarity	NPD2344	Approved
0.7452	Intermediate Similarity	NPD6233	Phase 2
0.7438	Intermediate Similarity	NPD3748	Approved
0.7423	Intermediate Similarity	NPD4628	Phase 3
0.7421	Intermediate Similarity	NPD6651	Approved
0.7419	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7416	Intermediate Similarity	NPD5953	Discontinued
0.7391	Intermediate Similarity	NPD6100	Approved
0.7391	Intermediate Similarity	NPD6099	Approved
0.7389	Intermediate Similarity	NPD2313	Discontinued
0.7374	Intermediate Similarity	NPD7685	Pre-registration
0.7363	Intermediate Similarity	NPD8434	Phase 2
0.7362	Intermediate Similarity	NPD1243	Approved
0.7353	Intermediate Similarity	NPD37	Approved
0.7349	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD2403	Approved
0.7329	Intermediate Similarity	NPD2799	Discontinued
0.7329	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7326	Intermediate Similarity	NPD4966	Approved
0.7326	Intermediate Similarity	NPD4965	Approved
0.7326	Intermediate Similarity	NPD4967	Phase 2
0.7303	Intermediate Similarity	NPD7286	Phase 2
0.7302	Intermediate Similarity	NPD6779	Approved
0.7302	Intermediate Similarity	NPD6782	Approved
0.7302	Intermediate Similarity	NPD6777	Approved
0.7302	Intermediate Similarity	NPD6776	Approved
0.7302	Intermediate Similarity	NPD6780	Approved
0.7302	Intermediate Similarity	NPD6778	Approved
0.7302	Intermediate Similarity	NPD6781	Approved
0.729	Intermediate Similarity	NPD1203	Approved
0.7289	Intermediate Similarity	NPD7390	Discontinued
0.7278	Intermediate Similarity	NPD6798	Discontinued
0.7277	Intermediate Similarity	NPD7435	Discontinued
0.7273	Intermediate Similarity	NPD2309	Approved
0.7261	Intermediate Similarity	NPD6832	Phase 2
0.7251	Intermediate Similarity	NPD6844	Discontinued
0.7247	Intermediate Similarity	NPD7228	Approved
0.7239	Intermediate Similarity	NPD2346	Discontinued
0.7232	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7229	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD1548	Phase 1
0.7208	Intermediate Similarity	NPD9269	Phase 2
0.7197	Intermediate Similarity	NPD3018	Phase 2
0.7175	Intermediate Similarity	NPD5242	Approved
0.7174	Intermediate Similarity	NPD8150	Discontinued
0.717	Intermediate Similarity	NPD3268	Approved
0.7152	Intermediate Similarity	NPD4908	Phase 1
0.7143	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD6355	Discontinued
0.7143	Intermediate Similarity	NPD422	Phase 1
0.7134	Intermediate Similarity	NPD2798	Approved
0.7117	Intermediate Similarity	NPD7033	Discontinued
0.7108	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7104	Intermediate Similarity	NPD8313	Approved
0.7104	Intermediate Similarity	NPD8312	Approved
0.7098	Intermediate Similarity	NPD7697	Approved
0.7098	Intermediate Similarity	NPD7698	Approved
0.7098	Intermediate Similarity	NPD7696	Phase 3
0.7097	Intermediate Similarity	NPD9717	Approved
0.7093	Intermediate Similarity	NPD6385	Approved
0.7093	Intermediate Similarity	NPD6386	Approved
0.7083	Intermediate Similarity	NPD4357	Discontinued
0.7081	Intermediate Similarity	NPD4060	Phase 1
0.707	Intermediate Similarity	NPD2797	Approved
0.7069	Intermediate Similarity	NPD5353	Approved
0.7066	Intermediate Similarity	NPD2354	Approved
0.7063	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD7871	Phase 2
0.7062	Intermediate Similarity	NPD7870	Phase 2
0.7056	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD2163	Approved
0.7056	Intermediate Similarity	NPD7874	Approved
0.7051	Intermediate Similarity	NPD2982	Phase 2
0.7051	Intermediate Similarity	NPD2983	Phase 2
0.7048	Intermediate Similarity	NPD2654	Approved
0.7041	Intermediate Similarity	NPD7701	Phase 2
0.7039	Intermediate Similarity	NPD5536	Phase 2
0.7037	Intermediate Similarity	NPD4363	Phase 3
0.7037	Intermediate Similarity	NPD4360	Phase 2
0.7037	Intermediate Similarity	NPD6534	Approved
0.7037	Intermediate Similarity	NPD6535	Approved
0.7032	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD1610	Phase 2
0.703	Intermediate Similarity	NPD1471	Phase 3
0.7022	Intermediate Similarity	NPD5710	Approved
0.7022	Intermediate Similarity	NPD5711	Approved
0.7012	Intermediate Similarity	NPD4308	Phase 3
0.7006	Intermediate Similarity	NPD3225	Approved
0.7	Intermediate Similarity	NPD7095	Approved
0.699	Remote Similarity	NPD7584	Approved
0.6987	Remote Similarity	NPD1608	Approved
0.6987	Remote Similarity	NPD2981	Phase 2
0.6981	Remote Similarity	NPD2861	Phase 2
0.6961	Remote Similarity	NPD7907	Approved
0.6957	Remote Similarity	NPD411	Approved
0.6957	Remote Similarity	NPD7549	Discontinued
0.6948	Remote Similarity	NPD9268	Approved
0.6946	Remote Similarity	NPD2899	Discontinued
0.6946	Remote Similarity	NPD1652	Phase 2
0.6941	Remote Similarity	NPD3146	Approved
0.6941	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6935	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6935	Remote Similarity	NPD7801	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