NPASS Compound

Structure

CID236657 OpenBabel06191716032D 66 73 0 0 1 0 0 0 0 0999 V2000 -11.1062 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0562 -4.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0697 -4.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4173 -0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7086 -0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0562 2.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8543 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8543 0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 -1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4173 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7086 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7086 -2.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4173 -2.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6889 5.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0697 2.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2519 0.9865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8543 -1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7086 -1.9730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6889 4.4392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7086 0.9865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8543 -0.4932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4173 -1.9730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4173 0.9865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.2519 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5432 3.9459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3975 -0.4932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5432 2.9595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2716 4.4392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1259 3.9459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5432 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4173 3.9459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6889 2.4662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1259 2.9595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5630 4.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5432 0.9865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8346 2.9595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2716 2.4662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5630 -3.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -1.4797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7086 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5630 1.4797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8543 -0.4932 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 -6.8346 5.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0832 2.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 -1.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1062 -0.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3975 4.4392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3975 -1.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3975 2.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2716 5.4257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9803 4.4392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6889 -0.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 5.4257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7086 3.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3975 1.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8346 3.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2716 1.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4173 2.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6889 1.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9803 2.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 43 1 0 0 0 0 3 43 1 0 0 0 0 7 47 1 0 0 0 0 9 10 1 0 0 0 0 9 22 2 0 0 0 0 10 26 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 45 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 47 1 0 0 0 0 17 23 1 0 0 0 0 17 43 1 0 0 0 0 18 27 1 0 0 0 0 18 43 1 0 0 0 0 19 49 1 0 0 0 0 20 46 1 0 0 0 0 20 50 1 0 0 0 0 21 1 1 6 0 0 0 21 29 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 44 1 1 0 0 0 24 19 1 1 0 0 0 24 30 1 0 0 0 0 24 62 1 0 0 0 0 25 45 1 6 0 0 0 25 46 1 0 0 0 0 26 45 1 6 0 0 0 26 48 1 0 0 0 0 27 44 1 6 0 0 0 27 51 1 0 0 0 0 28 46 1 6 0 0 0 28 63 1 0 0 0 0 29 31 1 0 0 0 0 29 52 1 1 0 0 0 30 32 1 0 0 0 0 30 53 1 1 0 0 0 31 35 1 0 0 0 0 31 54 1 6 0 0 0 32 37 1 0 0 0 0 32 55 1 1 0 0 0 33 34 1 0 0 0 0 33 36 1 0 0 0 0 33 56 1 6 0 0 0 34 38 1 0 0 0 0 34 57 1 1 0 0 0 35 40 1 0 0 0 0 35 58 1 6 0 0 0 36 39 1 1 0 0 0 36 64 1 0 0 0 0 37 41 1 0 0 0 0 37 65 1 6 0 0 0 38 42 1 0 0 0 0 38 66 1 6 0 0 0 39 59 2 0 0 0 0 39 60 1 0 0 0 0 40 61 1 0 0 0 0 40 65 1 1 0 0 0 41 62 1 0 0 0 0 41 66 1 1 0 0 0 42 63 1 1 0 0 0 42 64 1 0 0 0 0 44 4 1 6 0 0 0 45 5 1 6 0 0 0 46 6 1 1 0 0 0 47 48 1 6 0 0 0 48 8 1 6 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	942.52
Volume:	923.263
LogP:	2.369
LogD:	1.745
LogS:	-3.399
# Rotatable Bonds:	9
TPSA:	294.98
# H-Bond Aceptor:	18
# H-Bond Donor:	11
# Rings:	8
# Heavy Atoms:	18

MedChem Properties

QED Drug-Likeness Score:	0.112
Synthetic Accessibility Score:	6.408
Fsp3:	0.938
Lipinski Rule-of-5:	Rejected
Pfizer Rule:	Accepted
GSK Rule:	Rejected
BMS Rule:	1
Golden Triangle Rule:	Rejected
Chelating Alert:	0
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-6.076
MDCK Permeability:	4.6290468162624165e-05
Pgp-inhibitor:	0.667
Pgp-substrate:	0.008
Human Intestinal Absorption (HIA):	0.952
20% Bioavailability (F20%):	0.372
30% Bioavailability (F30%):	0.997

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.108
Plasma Protein Binding (PPB):	74.36750793457031%
Volume Distribution (VD):	0.133
Pgp-substrate:	14.445589065551758%

ADMET: Metabolism

CYP1A2-inhibitor:	0.001
CYP1A2-substrate:	0.229
CYP2C19-inhibitor:	0.001
CYP2C19-substrate:	0.202
CYP2C9-inhibitor:	0.0
CYP2C9-substrate:	0.011
CYP2D6-inhibitor:	0.003
CYP2D6-substrate:	0.059
CYP3A4-inhibitor:	0.052
CYP3A4-substrate:	0.007

ADMET: Excretion

Clearance (CL):	0.541
Half-life (T1/2):	0.767

ADMET: Toxicity

hERG Blockers:	0.078
Human Hepatotoxicity (H-HT):	0.189
Drug-inuced Liver Injury (DILI):	0.043
AMES Toxicity:	0.097
Rat Oral Acute Toxicity:	0.148
Maximum Recommended Daily Dose:	0.852
Skin Sensitization:	0.178
Carcinogencity:	0.022
Eye Corrosion:	0.003
Eye Irritation:	0.007
Respiratory Toxicity:	0.97

Download Data

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

Natural Product: NPC236657

Natural Product ID:	NPC236657
*Common Name:**	Soyasaponin I
IUPAC Name:	(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Synonyms:	Soyasaponin I
Standard InCHIKey:	PTDAHAWQAGSZDD-IOVCITQVSA-N
Standard InCHI:	InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
SMILES:	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]1[C@H]([C@H]([C@@H](CO)O[C@H]1O[C@@H]1[C@H]([C@@H]([C@@H](C(=O)O)O[C@H]1O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)C[C@H]([C@]4(C)CC[C@@]32C)O)[C@@]1(C)CO)O)O)O)O)O)O)O
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL511016
PubChem CID:	122097
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000012] Lipids and lipid-like molecules [CHEMONTID:0000259] Prenol lipids [CHEMONTID:0002049] Terpene glycosides [CHEMONTID:0001580] Triterpene glycosides [CHEMONTID:0002358] Triterpene saponins

*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
NPO25932	Delphinium barbeyi	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1021/jf00025a020]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	DOI[10.1021/np50075a009]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10654410]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[10843587]
NPO20620	Eucalyptus cypellocarpa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11000030]
NPO20142	Embelia schimperi	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11054840]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	root	n.a.	PMID[11374966]
NPO9446	Asterias rathbuni	Species	Asteriidae	Eukaryota	n.a.	n.a.	n.a.	PMID[11473430]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	stem	n.a.	PMID[12575075]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	leaf	n.a.	PMID[12575075]
NPO40955	Wistaria brachybotrys	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[1294698]
NPO2280	Streptomyces griseochromogenes	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[12964155]
NPO18668	Asimina parviflora	Species	Annonaceae	Eukaryota	twigs	n.a.	n.a.	PMID[1453182]
NPO19667	Hypericum styphelioides	Species	Hypericaceae	Eukaryota	n.a.	leaf	n.a.	PMID[15165152]
NPO19667	Hypericum styphelioides	Species	Hypericaceae	Eukaryota	leaves	n.a.	n.a.	PMID[15165152]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	Roots	n.a.	n.a.	PMID[15568770]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	whole plant	n.a.	PMID[15577255]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[15763368]
NPO18286	Lycogala epidendrum	Species	Enteridiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[15911254]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16038550]
NPO11789	Swertia decussata	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16286309]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[16392664]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[16933887]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	roots	Hualien Hsien, Taiwan	2003-JUL	PMID[16933887]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[17253088]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[17583950]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[17951038]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18175961]
NPO20879	Clerodendrum bungei	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18348535]
NPO733	Pseudoceratina arabica	Species	Pseudoceratinidae	Eukaryota	n.a.	Red Sea	n.a.	PMID[18598078]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18855446]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	root	n.a.	PMID[18975262]
NPO2280	Streptomyces griseochromogenes	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[19191560]
NPO3152	Morella rubra	Species	Myricaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19407970]
NPO40955	Wistaria brachybotrys	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[1955883]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20455578]
NPO10718	Trigonostemon xyphophylloides	Species	Euphorbiaceae	Eukaryota	Stems	n.a.	n.a.	PMID[20593838]
NPO9892	Aspergillus taichungensis	Species	Aspergillaceae	Eukaryota	n.a.	mycelium	n.a.	PMID[21486068]
NPO9892	Aspergillus taichungensis	Species	Aspergillaceae	Eukaryota	isolated from the root soil of the mangrove plant Acrostichum aureum	n.a.	n.a.	PMID[21486068]
NPO9892	Aspergillus taichungensis	Species	Aspergillaceae	Eukaryota	a root soil fungus isolated from the mangrove plant Acrostichum aureum	n.a.	n.a.	PMID[21486068]
NPO3152	Morella rubra	Species	Myricaceae	Eukaryota	n.a.	bark	n.a.	PMID[21553897]
NPO20835	Medicago truncatula	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[21615146]
NPO12644	Lunularia cruciata	Species	Lunulariaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21625478]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21775156]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23286284]
NPO2280	Streptomyces griseochromogenes	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[23377931]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24108414]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24295087]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24333010]
NPO20598	Lythrum salicaria	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24459770]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25068786]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25620156]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25844502]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27569393]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27575476]
NPO4734	Syzygium nervosum	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27797185]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29185738]
NPO40387	Trigonella stellata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29676912]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30188125]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	Roots	n.a.	n.a.	PMID[30298740]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30351923]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30758201]
NPO12644	Lunularia cruciata	Species	Lunulariaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30848895]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	root	n.a.	PMID[3655791]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	roots	n.a.	n.a.	PMID[9834151]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	Roots	n.a.	n.a.	PMID[9868163]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	Database[Article]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21170	Embelia parviflora	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO12056	Chondrodendron tomentosum	Species	Menispermaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20598	Lythrum salicaria	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO24178	Citrus rugulosa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26606	Macadamia ternifolia	Species	Proteaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13524	Pyrola japonica	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25932	Delphinium barbeyi	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO18286	Lycogala epidendrum	Species	Enteridiidae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17334	Onopordum acanthium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17542	Aconitum orientale	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21375	Euphorbia nematocypha	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7001	Berberis floribunda	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17315	Ceanothus integerrimus	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[MetaboLights]
NPO20620	Eucalyptus cypellocarpa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20598	Lythrum salicaria	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8707.1	Pueraria montana var. lobata	Varieties	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8701	Bonamia spectabilis	Species	Convolvulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20879	Clerodendrum bungei	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20142	Embelia schimperi	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18668	Asimina parviflora	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7001	Berberis floribunda	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7319	Jamesoniella colorata	Species	Jungermanniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20680	Erythrina melanacantha	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21375	Euphorbia nematocypha	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9452	Pulsatilla campanella	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20489	Epilobium hirsutum	Species	Onagraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17542	Aconitum orientale	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21170	Embelia parviflora	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3152	Morella rubra	Species	Myricaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12056	Chondrodendron tomentosum	Species	Menispermaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24178	Citrus rugulosa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18286	Lycogala epidendrum	Species	Enteridiidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9272	Artocarpus lakoocha	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13524	Pyrola japonica	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25932	Delphinium barbeyi	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26606	Macadamia ternifolia	Species	Proteaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17315	Ceanothus integerrimus	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17334	Onopordum acanthium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8707.2	Pueraria montana var. thomsonii	Varieties	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21170	Embelia parviflora	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO20680	Erythrina melanacantha	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21375	Euphorbia nematocypha	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO20598	Lythrum salicaria	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9272	Artocarpus lakoocha	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO13524	Pyrola japonica	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17334	Onopordum acanthium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO18286	Lycogala epidendrum	Species	Enteridiidae	Eukaryota	n.a.	n.a.	n.a.	Database[Title]
NPO8707.2	Pueraria montana var. thomsonii	Varieties	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO6792	Hedysarum polybotrys	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO13524	Pyrola japonica	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO8707.1	Pueraria montana var. lobata	Varieties	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO20142	Embelia schimperi	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10546	Allagopappus viscosissimus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22937	Vernonia fagifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19912	Vellozia nanuzae	Species	Velloziaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25932	Delphinium barbeyi	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14241	Planchonia grandis	Species	Asterolecaniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20835	Medicago truncatula	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12056	Chondrodendron tomentosum	Species	Menispermaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20421	Aplophyllum alberti-regelii	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO25819.1	Gueldenstaedtia verna subsp. multiflora	Subspecies	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20843	Monsonia senegalensis	Species	Geraniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17542	Aconitum orientale	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15338	Lampranthus aurantiacus	Species	Aizoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5081	Amorphinopsis foetida	Species	Halichondriidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12227	Xylopia acutiflora	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12864	Trogoderma granarium	Species	Dermestidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12644	Lunularia cruciata	Species	Lunulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7001	Berberis floribunda	Species	Berberidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6234	Hemsleya panacis-scandens	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15439	Iyengaria stellata	Species	Scytosiphonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8707.1	Pueraria montana var. lobata	Varieties	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17258	Rhinella marina	Species	Bufonidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21375	Euphorbia nematocypha	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21038	Lemaireocereus longispinus	Species	Cactaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20598	Lythrum salicaria	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19036	Esenbeckia leiocarpa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4022	Calycocorsus stipitatus	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO19033	Sargassum lacerifolium	Species	Sargassaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18866	Pteridium esculentum	Species	Dennstaedtiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18473	Plathymenia reticulata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2280	Streptomyces griseochromogenes	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO24375	Micrococcus luteus	Species	Micrococcaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO12313	Haplophyllum obtusifolium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7949	Pterodon emarginatus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9640	Dinophysis fortii	Species	Dinophysiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8398	Cymodocea nodosa	Species	Cymodoceaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9272	Artocarpus lakoocha	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21631	Faramea salicifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12169	Ranunculus peltatus	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19231	Sophora flavescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28202	Helichrysum tenuifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5479	Astragalus wiedemannianus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21562	Diospyros assimilis	Species	Ebenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9892	Aspergillus taichungensis	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4734	Syzygium nervosum	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21170	Embelia parviflora	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6572	Dunalia solanacea	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8701	Bonamia spectabilis	Species	Convolvulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23899	Rosulabryum capillare	Species	Bryaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3658	Achillea pseudopectinata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19667	Hypericum styphelioides	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13524	Pyrola japonica	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18286	Lycogala epidendrum	Species	Enteridiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6792	Hedysarum polybotrys	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3696	Phyllostachys bambusoides	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9009	Atuna racemosa	Species	Chrysobalanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8006	Berlinia tomentosa	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11223	Pleurotus japonicus	Species	Pleurotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18143	Dendronephthya griffini	Species	Nephtheidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11534	Astragalus spinosus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9968	Shigella dysenteriae	Species	Enterobacteriaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO25001	Melampodium pilosum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24178	Citrus rugulosa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10104	Laurencia chilensis	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20084	Atraphaxis spinosa	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20624	Simarouba glauca	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21243	Siphonaria capensis	Species	Siphonariidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3016	Litsea amara	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19995	Baccharis neglecta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19504	Solanum canense	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9495	Lupinus oreophilus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21495	Abelia chinensis	Species	Caprifoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12057	Carlina racemosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18668	Asimina parviflora	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16569	Gymnocalycium schickendantzii	Species	Cactaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4461	Meretrix petechialis	Species	Veneridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21108	Eria anomala	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18447	Papaver tatricum	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11628	Mytilus coruscus	Species	Mytilidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20346	Acacia retinoides	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17334	Onopordum acanthium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7627	Fumaria micrantha	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11234	Anaglyptus subfasciatus	Species	Cerambycidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11056	Xanthoria resendei	Species	Teloschistaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20489	Epilobium hirsutum	Species	Onagraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12284	Hydrangea serrata	Species	Hydrangeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11523	Erysimum leptophyllum	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18176	Ephedra sinica	Species	Ephedraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19511	Dolabella californica	Species	Aplysiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26606	Macadamia ternifolia	Species	Proteaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27367	Latrunculia magnifica	Species	Latrunculiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17849	Centaurea maculosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6243	Fomes fastuosus	Species	Coriolaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5903	Conus mus	Species	Conidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10718	Trigonostemon xyphophylloides	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22961	Cordia leucocephala	Species	Cordiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20680	Erythrina melanacantha	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18125	Suillus variegatus	Species	Suillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16141	Piper regnellii	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4910	Lepidosperma ustulatum	Species	Cyperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28072	Theonella conica	Species	Theonellidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8707.2	Pueraria montana var. thomsonii	Varieties	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3535	Artemisia lerchiana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3152	Morella rubra	Species	Myricaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9452	Pulsatilla campanella	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9226	Astragalus pycnanthus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11789	Swertia decussata	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4051	Tricholoma columbetta	Species	Tricholomataceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20620	Eucalyptus cypellocarpa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17560	Pancratium sickenbergeri	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20277	Pentzia eenii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18462	Calliactis parasitica	Species	Hormathiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3529	Vachellia schaffnerii	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3311	Diplacus longiflorus	Species	Phrymaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13715	Bertya dimerostigma	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4965	Suberites caminatus	Species	Suberitidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17315	Ceanothus integerrimus	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19810	Myxococcus stipitatus	Species	Myxococcaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO2565	Aglaia australiensis	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23334	Ceroplastes albolineatus	Species	Coccidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23977	Helichrysum moeserianum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20879	Clerodendrum bungei	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9446	Asterias rathbuni	Species	Asteriidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11910	Peltogyne pubescens	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7319	Jamesoniella colorata	Species	Jungermanniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19849	Melilotus officinalis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13449	Syzygium polycephaloides	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO733	Pseudoceratina arabica	Species	Pseudoceratinidae	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
Others	15

Activity Type	# Activity
Cell Line	4
Individual Protein	8
Organism	1
SINGLE PROTEIN	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT113	Cell Line	RAW264.7	Mus musculus	FC	=	11.1	n.a.	PMID[551733]
NPT113	Cell Line	RAW264.7	Mus musculus	FC	=	8.8	n.a.	PMID[551733]
NPT113	Cell Line	RAW264.7	Mus musculus	FC	=	6.8	n.a.	PMID[551733]
NPT113	Cell Line	RAW264.7	Mus musculus	FC	=	5.6	n.a.	PMID[551733]
NPT270	Individual Protein	Nitric oxide synthase, inducible	Mus musculus	Activity	=	24.0	pmol/min	PMID[551733]
NPT270	Individual Protein	Nitric oxide synthase, inducible	Mus musculus	Activity	=	16.6	pmol/min	PMID[551733]
NPT270	Individual Protein	Nitric oxide synthase, inducible	Mus musculus	Activity	=	11.7	pmol/min	PMID[551733]
NPT270	Individual Protein	Nitric oxide synthase, inducible	Mus musculus	Activity	=	9.2	pmol/min	PMID[551733]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	40.0	%	PMID[551732]
NPT99	Individual Protein	Peroxisome proliferator-activated receptor gamma	Homo sapiens	FC	=	1.22	n.a.	PMID[551734]
NPT99	Individual Protein	Peroxisome proliferator-activated receptor gamma	Homo sapiens	FC	=	1.36	n.a.	PMID[551734]
NPT99	Individual Protein	Peroxisome proliferator-activated receptor gamma	Homo sapiens	FC	=	1.79	n.a.	PMID[551734]
NPT6724	Individual Protein	Beta-galactoside alpha-2,6-sialyltransferase 1	Homo sapiens	Inhibition	=	68.0	%	PMID[551735]
NPT27842	SINGLE PROTEIN	Sialyltransferase ST3Gal-I	Rattus norvegicus	Inhibition	=	59.0	%	PMID[551735]
NPT27842	SINGLE PROTEIN	Sialyltransferase ST3Gal-I	Rattus norvegicus	Inhibition	=	83.0	%	PMID[551735]

☑ 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 NPC236657 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	282
0.1-0.2	1992
0.2-0.3	5500
0.3-0.4	10948
0.4-0.5	10876
0.5-0.6	6687
0.6-0.7	3662
0.7-0.8	1846
0.8-0.85	332
0.85-0.9	114
0.9-0.95	337
0.95-1	121

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC118440
0.991	High Similarity	NPC171544
0.991	High Similarity	NPC22956
0.991	High Similarity	NPC187618
0.991	High Similarity	NPC62725
0.991	High Similarity	NPC159309
0.991	High Similarity	NPC297263
0.991	High Similarity	NPC86222
0.991	High Similarity	NPC64715
0.991	High Similarity	NPC302887
0.991	High Similarity	NPC222580
0.991	High Similarity	NPC301449
0.991	High Similarity	NPC31838
0.991	High Similarity	NPC11242
0.991	High Similarity	NPC114484
0.991	High Similarity	NPC223301
0.991	High Similarity	NPC104372
0.9821	High Similarity	NPC4749
0.9821	High Similarity	NPC80986
0.9821	High Similarity	NPC21691
0.9821	High Similarity	NPC213952
0.9821	High Similarity	NPC131469
0.9821	High Similarity	NPC236870
0.9821	High Similarity	NPC187290
0.9821	High Similarity	NPC162574
0.9821	High Similarity	NPC475591
0.9821	High Similarity	NPC313110
0.9821	High Similarity	NPC10607
0.9735	High Similarity	NPC281148
0.9735	High Similarity	NPC2370
0.9735	High Similarity	NPC302543
0.9735	High Similarity	NPC30735
0.9735	High Similarity	NPC235405
0.9735	High Similarity	NPC200049
0.9735	High Similarity	NPC44716
0.9735	High Similarity	NPC258617
0.9735	High Similarity	NPC283417
0.9735	High Similarity	NPC257211
0.973	High Similarity	NPC11551
0.973	High Similarity	NPC157868
0.973	High Similarity	NPC214484
0.973	High Similarity	NPC114441
0.973	High Similarity	NPC6377
0.973	High Similarity	NPC473884
0.973	High Similarity	NPC475171
0.973	High Similarity	NPC469945
0.973	High Similarity	NPC472949
0.973	High Similarity	NPC35405
0.973	High Similarity	NPC309780
0.973	High Similarity	NPC39211
0.973	High Similarity	NPC208381
0.973	High Similarity	NPC192791
0.973	High Similarity	NPC180550
0.9727	High Similarity	NPC224121
0.9649	High Similarity	NPC470477
0.9649	High Similarity	NPC160452
0.9649	High Similarity	NPC23275
0.9649	High Similarity	NPC471962
0.9649	High Similarity	NPC247315
0.9649	High Similarity	NPC471963
0.9649	High Similarity	NPC33068
0.9646	High Similarity	NPC249848
0.9646	High Similarity	NPC40775
0.9646	High Similarity	NPC235438
0.9646	High Similarity	NPC107966
0.964	High Similarity	NPC286347
0.9565	High Similarity	NPC284449
0.9565	High Similarity	NPC475368
0.9565	High Similarity	NPC469947
0.9565	High Similarity	NPC181066
0.9565	High Similarity	NPC470218
0.9561	High Similarity	NPC202666
0.9561	High Similarity	NPC478066
0.9561	High Similarity	NPC262199
0.9561	High Similarity	NPC471961
0.9561	High Similarity	NPC14617
0.9561	High Similarity	NPC471964
0.9558	High Similarity	NPC75417
0.9558	High Similarity	NPC242840
0.9558	High Similarity	NPC31193
0.9474	High Similarity	NPC471965
0.9469	High Similarity	NPC294112
0.9464	High Similarity	NPC109588
0.9459	High Similarity	NPC291903
0.9459	High Similarity	NPC37134
0.9402	High Similarity	NPC470475
0.9397	High Similarity	NPC285091
0.9375	High Similarity	NPC475119
0.9375	High Similarity	NPC300419
0.9375	High Similarity	NPC473824
0.9369	High Similarity	NPC164389
0.9369	High Similarity	NPC475486
0.9322	High Similarity	NPC305793
0.9322	High Similarity	NPC470912
0.9322	High Similarity	NPC244296
0.9322	High Similarity	NPC107536
0.9322	High Similarity	NPC252289
0.9322	High Similarity	NPC280029
0.9322	High Similarity	NPC470518
0.9322	High Similarity	NPC82380
0.9322	High Similarity	NPC88311
0.9322	High Similarity	NPC252657
0.9322	High Similarity	NPC47995
0.9322	High Similarity	NPC9470
0.9322	High Similarity	NPC269484
0.9322	High Similarity	NPC115656
0.9322	High Similarity	NPC472267
0.9322	High Similarity	NPC273878
0.9322	High Similarity	NPC97918
0.9322	High Similarity	NPC1314
0.9322	High Similarity	NPC141600
0.9322	High Similarity	NPC265841
0.9322	High Similarity	NPC11577
0.9304	High Similarity	NPC275343
0.9292	High Similarity	NPC105800
0.9292	High Similarity	NPC232237
0.9286	High Similarity	NPC476992
0.9286	High Similarity	NPC75287
0.9286	High Similarity	NPC26626
0.9286	High Similarity	NPC305267
0.9286	High Similarity	NPC288205
0.9286	High Similarity	NPC51465
0.9244	High Similarity	NPC476780
0.9244	High Similarity	NPC476774
0.9244	High Similarity	NPC271610
0.9244	High Similarity	NPC476775
0.9237	High Similarity	NPC477194
0.9237	High Similarity	NPC477075
0.9237	High Similarity	NPC477191
0.9237	High Similarity	NPC475281
0.9237	High Similarity	NPC329923
0.9237	High Similarity	NPC477078
0.9237	High Similarity	NPC477192
0.9237	High Similarity	NPC470476
0.9237	High Similarity	NPC477193
0.9211	High Similarity	NPC135849
0.9211	High Similarity	NPC51564
0.9211	High Similarity	NPC207738
0.9211	High Similarity	NPC25663
0.9204	High Similarity	NPC473452
0.9204	High Similarity	NPC191827
0.9204	High Similarity	NPC8524
0.9204	High Similarity	NPC475209
0.9204	High Similarity	NPC104137
0.9204	High Similarity	NPC69811
0.9204	High Similarity	NPC123522
0.9204	High Similarity	NPC102505
0.9204	High Similarity	NPC220160
0.9204	High Similarity	NPC470876
0.9204	High Similarity	NPC323359
0.9204	High Similarity	NPC475514
0.9204	High Similarity	NPC33012
0.9204	High Similarity	NPC286457
0.9204	High Similarity	NPC85154
0.9204	High Similarity	NPC309223
0.9189	High Similarity	NPC292677
0.9189	High Similarity	NPC1046
0.9189	High Similarity	NPC109079
0.9189	High Similarity	NPC475504
0.9189	High Similarity	NPC469946
0.9189	High Similarity	NPC471383
0.9189	High Similarity	NPC473373
0.9189	High Similarity	NPC10320
0.9189	High Similarity	NPC80843
0.9189	High Similarity	NPC79718
0.9189	High Similarity	NPC101744
0.9189	High Similarity	NPC139044
0.9189	High Similarity	NPC104071
0.9189	High Similarity	NPC324875
0.9189	High Similarity	NPC257468
0.9189	High Similarity	NPC104400
0.9189	High Similarity	NPC475516
0.9189	High Similarity	NPC276093
0.9189	High Similarity	NPC102439
0.9167	High Similarity	NPC476776
0.9167	High Similarity	NPC30279
0.9167	High Similarity	NPC312650
0.9167	High Similarity	NPC71391
0.9167	High Similarity	NPC192765
0.9167	High Similarity	NPC473918
0.9167	High Similarity	NPC277212
0.9167	High Similarity	NPC46823
0.9167	High Similarity	NPC178264
0.916	High Similarity	NPC477079
0.916	High Similarity	NPC470913
0.916	High Similarity	NPC477076
0.916	High Similarity	NPC477077
0.916	High Similarity	NPC477196
0.9145	High Similarity	NPC130229
0.913	High Similarity	NPC473645
0.913	High Similarity	NPC476991
0.9123	High Similarity	NPC237191
0.9123	High Similarity	NPC473459
0.9115	High Similarity	NPC160415
0.9115	High Similarity	NPC161674
0.9115	High Similarity	NPC58448
0.9115	High Similarity	NPC471384
0.9107	High Similarity	NPC473343
0.9107	High Similarity	NPC46665
0.9107	High Similarity	NPC473826

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 NPC236657 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	265
0.1-0.2	2284
0.2-0.3	3889
0.3-0.4	1740
0.4-0.5	564
0.5-0.6	246
0.6-0.7	123
0.7-0.8	35
0.8-0.85	2
0.85-0.9	0
0.9-0.95	1
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9561	High Similarity	NPD8328	Phase 3
0.9375	High Similarity	NPD8295	Clinical (unspecified phase)
0.8261	Intermediate Similarity	NPD8132	Clinical (unspecified phase)
0.8016	Intermediate Similarity	NPD7736	Approved
0.7983	Intermediate Similarity	NPD8133	Approved
0.7823	Intermediate Similarity	NPD8516	Approved
0.7823	Intermediate Similarity	NPD8515	Approved
0.7823	Intermediate Similarity	NPD8517	Approved
0.7823	Intermediate Similarity	NPD8513	Phase 3
0.7795	Intermediate Similarity	NPD8293	Discontinued
0.7674	Intermediate Similarity	NPD7319	Approved
0.7619	Intermediate Similarity	NPD6370	Approved
0.76	Intermediate Similarity	NPD8294	Approved
0.76	Intermediate Similarity	NPD8377	Approved
0.7578	Intermediate Similarity	NPD7507	Approved
0.754	Intermediate Similarity	NPD8380	Approved
0.754	Intermediate Similarity	NPD8335	Approved
0.754	Intermediate Similarity	NPD8378	Approved
0.754	Intermediate Similarity	NPD8296	Approved
0.754	Intermediate Similarity	NPD8379	Approved
0.75	Intermediate Similarity	NPD7492	Approved
0.7479	Intermediate Similarity	NPD6412	Phase 2
0.746	Intermediate Similarity	NPD6054	Approved
0.746	Intermediate Similarity	NPD6319	Approved
0.746	Intermediate Similarity	NPD6059	Approved
0.7442	Intermediate Similarity	NPD6616	Approved
0.7417	Intermediate Similarity	NPD5345	Clinical (unspecified phase)
0.7417	Intermediate Similarity	NPD6686	Approved
0.7402	Intermediate Similarity	NPD8033	Approved
0.7391	Intermediate Similarity	NPD7902	Approved
0.7385	Intermediate Similarity	NPD7078	Approved
0.7317	Intermediate Similarity	NPD8297	Approved
0.7317	Intermediate Similarity	NPD6882	Approved
0.7281	Intermediate Similarity	NPD7748	Approved
0.7266	Intermediate Similarity	NPD6015	Approved
0.7266	Intermediate Similarity	NPD6016	Approved
0.7222	Intermediate Similarity	NPD6009	Approved
0.7213	Intermediate Similarity	NPD6372	Approved
0.7213	Intermediate Similarity	NPD6373	Approved
0.7209	Intermediate Similarity	NPD5988	Approved
0.7167	Intermediate Similarity	NPD8170	Clinical (unspecified phase)
0.7165	Intermediate Similarity	NPD7328	Approved
0.7165	Intermediate Similarity	NPD7327	Approved
0.713	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.713	Intermediate Similarity	NPD7900	Approved
0.7109	Intermediate Similarity	NPD7516	Approved
0.7107	Intermediate Similarity	NPD6675	Approved
0.7107	Intermediate Similarity	NPD7128	Approved
0.7107	Intermediate Similarity	NPD5739	Approved
0.7107	Intermediate Similarity	NPD6402	Approved
0.7105	Intermediate Similarity	NPD7515	Phase 2
0.7097	Intermediate Similarity	NPD8413	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD6650	Approved
0.7097	Intermediate Similarity	NPD6649	Approved
0.7	Intermediate Similarity	NPD7503	Approved
0.6992	Remote Similarity	NPD6881	Approved
0.6992	Remote Similarity	NPD7320	Approved
0.6992	Remote Similarity	NPD6899	Approved
0.6984	Remote Similarity	NPD4632	Approved
0.696	Remote Similarity	NPD8130	Phase 1
0.694	Remote Similarity	NPD6033	Approved
0.6911	Remote Similarity	NPD5697	Approved
0.6911	Remote Similarity	NPD5701	Approved
0.688	Remote Similarity	NPD6883	Approved
0.688	Remote Similarity	NPD7290	Approved
0.688	Remote Similarity	NPD7102	Approved
0.687	Remote Similarity	NPD6921	Approved
0.6866	Remote Similarity	NPD8074	Phase 3
0.6825	Remote Similarity	NPD6617	Approved
0.6825	Remote Similarity	NPD6869	Approved
0.6825	Remote Similarity	NPD6847	Approved
0.681	Remote Similarity	NPD8034	Phase 2
0.681	Remote Similarity	NPD8035	Phase 2
0.681	Remote Similarity	NPD6411	Approved
0.68	Remote Similarity	NPD6012	Approved
0.68	Remote Similarity	NPD6013	Approved
0.68	Remote Similarity	NPD6014	Approved
0.6767	Remote Similarity	NPD7604	Phase 2
0.675	Remote Similarity	NPD7638	Approved
0.6746	Remote Similarity	NPD4634	Approved
0.6742	Remote Similarity	NPD5983	Phase 2
0.672	Remote Similarity	NPD6011	Approved
0.6694	Remote Similarity	NPD7640	Approved
0.6694	Remote Similarity	NPD7639	Approved
0.6693	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6692	Remote Similarity	NPD7115	Discovery
0.6667	Remote Similarity	NPD6336	Discontinued
0.6638	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6638	Remote Similarity	NPD6101	Approved
0.6636	Remote Similarity	NPD7645	Phase 2
0.6612	Remote Similarity	NPD4225	Approved
0.661	Remote Similarity	NPD6399	Phase 3
0.661	Remote Similarity	NPD8171	Discontinued
0.6535	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6529	Remote Similarity	NPD6084	Phase 2
0.6529	Remote Similarity	NPD4755	Approved
0.6529	Remote Similarity	NPD6083	Phase 2
0.6525	Remote Similarity	NPD7983	Approved
0.6519	Remote Similarity	NPD6067	Discontinued
0.6493	Remote Similarity	NPD8274	Clinical (unspecified phase)
0.6489	Remote Similarity	NPD6274	Approved
0.6486	Remote Similarity	NPD7329	Approved
0.6484	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD5778	Approved
0.6471	Remote Similarity	NPD5779	Approved
0.6466	Remote Similarity	NPD7100	Approved
0.6466	Remote Similarity	NPD7101	Approved
0.6446	Remote Similarity	NPD4697	Phase 3
0.6444	Remote Similarity	NPD8080	Discontinued
0.6435	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD6008	Approved
0.6423	Remote Similarity	NPD4700	Approved
0.6423	Remote Similarity	NPD5286	Approved
0.6423	Remote Similarity	NPD5285	Approved
0.6423	Remote Similarity	NPD4696	Approved
0.6391	Remote Similarity	NPD6335	Approved
0.6377	Remote Similarity	NPD8448	Approved
0.637	Remote Similarity	NPD6908	Approved
0.637	Remote Similarity	NPD6909	Approved
0.6364	Remote Similarity	NPD8387	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD6868	Approved
0.6357	Remote Similarity	NPD8390	Approved
0.6357	Remote Similarity	NPD8391	Approved
0.6357	Remote Similarity	NPD8392	Approved
0.6356	Remote Similarity	NPD5328	Approved
0.635	Remote Similarity	NPD8340	Approved
0.635	Remote Similarity	NPD8299	Approved
0.635	Remote Similarity	NPD8342	Approved
0.635	Remote Similarity	NPD8341	Approved
0.6341	Remote Similarity	NPD5696	Approved
0.6338	Remote Similarity	NPD8450	Suspended
0.6325	Remote Similarity	NPD3573	Approved
0.632	Remote Similarity	NPD5226	Approved
0.632	Remote Similarity	NPD4633	Approved
0.632	Remote Similarity	NPD5224	Approved
0.632	Remote Similarity	NPD5225	Approved
0.632	Remote Similarity	NPD5211	Phase 2
0.6316	Remote Similarity	NPD8137	Clinical (unspecified phase)
0.6316	Remote Similarity	NPD6317	Approved
0.6311	Remote Similarity	NPD5222	Approved
0.6311	Remote Similarity	NPD5221	Approved
0.6311	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6304	Remote Similarity	NPD8451	Approved
0.6299	Remote Similarity	NPD4768	Approved
0.6299	Remote Similarity	NPD4767	Approved
0.6294	Remote Similarity	NPD8415	Approved
0.6271	Remote Similarity	NPD6672	Approved
0.6271	Remote Similarity	NPD5737	Approved
0.627	Remote Similarity	NPD5174	Approved
0.627	Remote Similarity	NPD5175	Approved
0.6269	Remote Similarity	NPD6314	Approved
0.6269	Remote Similarity	NPD6313	Approved
0.6268	Remote Similarity	NPD8449	Approved
0.6261	Remote Similarity	NPD3670	Clinical (unspecified phase)
0.6261	Remote Similarity	NPD3669	Approved
0.626	Remote Similarity	NPD5173	Approved
0.625	Remote Similarity	NPD6079	Approved
0.625	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6241	Remote Similarity	NPD5956	Approved
0.624	Remote Similarity	NPD5223	Approved
0.6239	Remote Similarity	NPD3618	Phase 1
0.623	Remote Similarity	NPD5695	Phase 3
0.622	Remote Similarity	NPD5141	Approved
0.6218	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.6214	Remote Similarity	NPD8336	Approved
0.6214	Remote Similarity	NPD8337	Approved
0.621	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.6207	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.6202	Remote Similarity	NPD4730	Approved
0.6202	Remote Similarity	NPD4729	Approved
0.619	Remote Similarity	NPD7632	Discontinued
0.6182	Remote Similarity	NPD7799	Discontinued
0.6179	Remote Similarity	NPD7839	Suspended
0.6167	Remote Similarity	NPD46	Approved
0.6167	Remote Similarity	NPD6698	Approved
0.6159	Remote Similarity	NPD7830	Approved
0.6159	Remote Similarity	NPD7829	Approved
0.6142	Remote Similarity	NPD4754	Approved
0.6134	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6131	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.6131	Remote Similarity	NPD8444	Approved
0.6124	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.6107	Remote Similarity	NPD5247	Approved
0.6107	Remote Similarity	NPD5248	Approved
0.6107	Remote Similarity	NPD5250	Approved
0.6107	Remote Similarity	NPD5251	Approved
0.6107	Remote Similarity	NPD5249	Phase 3
0.6087	Remote Similarity	NPD1779	Approved
0.6087	Remote Similarity	NPD1780	Approved
0.6084	Remote Similarity	NPD7260	Phase 2
0.6077	Remote Similarity	NPD5128	Approved
0.6068	Remote Similarity	NPD4786	Approved
0.6054	Remote Similarity	NPD6334	Approved
0.6054	Remote Similarity	NPD6333	Approved
0.6053	Remote Similarity	NPD7625	Phase 1
0.6042	Remote Similarity	NPD8338	Approved
0.6034	Remote Similarity	NPD3667	Approved
0.6029	Remote Similarity	NPD7641	Discontinued
0.6016	Remote Similarity	NPD5282	Discontinued
0.6	Remote Similarity	NPD7525	Registered

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