NPASS Compound

Structure

CID222342 OpenBabel06191716012D 21 23 0 0 1 0 0 0 0 0999 V2000 3.4641 -1.0000 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 -2.5981 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 -3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -1.0000 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 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 1 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 0.8660 1.5000 0.0000 C 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 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 3.4641 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 4 1 0 0 0 0 2 9 2 0 0 0 0 3 5 2 0 0 0 0 3 9 1 0 0 0 0 4 10 2 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 15 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 10 17 1 0 0 0 0 11 20 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 14 9 1 6 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	286.08
Volume:	285.119
LogP:	3.151
LogD:	2.895
LogS:	-4.504
# Rotatable Bonds:	2
TPSA:	75.99
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	5

MedChem Properties

QED Drug-Likeness Score:	0.887
Synthetic Accessibility Score:	2.737
Fsp3:	0.188
Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Accepted
GSK Rule:	Accepted
BMS Rule:	1
Golden Triangle Rule:	Accepted
Chelating Alert:	0
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-4.613
MDCK Permeability:	2.033511373156216e-05
Pgp-inhibitor:	0.025
Pgp-substrate:	0.002
Human Intestinal Absorption (HIA):	0.005
20% Bioavailability (F20%):	0.003
30% Bioavailability (F30%):	0.857

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.055
Plasma Protein Binding (PPB):	94.31099700927734%
Volume Distribution (VD):	0.653
Pgp-substrate:	5.564775466918945%

ADMET: Metabolism

CYP1A2-inhibitor:	0.923
CYP1A2-substrate:	0.876
CYP2C19-inhibitor:	0.923
CYP2C19-substrate:	0.13
CYP2C9-inhibitor:	0.852
CYP2C9-substrate:	0.955
CYP2D6-inhibitor:	0.778
CYP2D6-substrate:	0.878
CYP3A4-inhibitor:	0.793
CYP3A4-substrate:	0.199

ADMET: Excretion

Clearance (CL):	15.402
Half-life (T1/2):	0.509

ADMET: Toxicity

hERG Blockers:	0.048
Human Hepatotoxicity (H-HT):	0.264
Drug-inuced Liver Injury (DILI):	0.942
AMES Toxicity:	0.179
Rat Oral Acute Toxicity:	0.768
Maximum Recommended Daily Dose:	0.415
Skin Sensitization:	0.702
Carcinogencity:	0.685
Eye Corrosion:	0.02
Eye Irritation:	0.943
Respiratory Toxicity:	0.909

Download Data

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

Natural Product: NPC222342

Natural Product ID:	NPC222342
*Common Name:**	Sakuranetin
IUPAC Name:	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
Synonyms:	7-O-Methylnaringenin; Naringenin 7-Methyl Ether; Sakuranetin
Standard InCHIKey:	DJOJDHGQRNZXQQ-AWEZNQCLSA-N
Standard InCHI:	InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
SMILES:	COc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(cc1)O
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL448297
PubChem CID:	73571
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
NPO784	Sinapis alba	Species	Brassicaceae	Eukaryota	n.a.	seed	n.a.	DOI[10.1007/s11418-005-0009-z]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1007/s11746-997-0093-1]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	Wrocław, Poland	2004–2005	DOI[10.1016/J.FOODCHEM.2006.08.014]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	retail stores, supermarkets and market stalls in Forssa and in the Helsinki area	2003–2005	DOI[10.1016/j.jfca.2006.05.007]
NPO18113	Crinum bulbispermum	Species	Amaryllidaceae	Eukaryota	n.a.	bulb	n.a.	DOI[10.1016/S0031-9422(00)00184-9]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1021/jf950732o]
NPO1373	Pulsatilla chinensis	Species	Ranunculaceae	Eukaryota	n.a.	root	n.a.	PMID[10514313]
NPO1373	Pulsatilla chinensis	Species	Ranunculaceae	Eukaryota	roots	n.a.	n.a.	PMID[10514313]
NPO1086	Botrytis cinerea	Species	Sclerotiniaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10691704]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10775096]
NPO27986	Lonchocarpus chiricanus	Species	Fabaceae	Eukaryota	Root barks	n.a.	n.a.	PMID[11421729]
NPO1373	Pulsatilla chinensis	Species	Ranunculaceae	Eukaryota	roots	n.a.	n.a.	PMID[11575962]
NPO25089	Cinchona calisaya	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11992775]
NPO6596	Vaccinium ashei	Species	Ericaceae	Eukaryota	n.a.	fruit	n.a.	PMID[12372879]
NPO16612	Streptomyces aureoverticillatus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[15332863]
NPO17936	Glycosmis arborea	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15387647]
NPO21341	Morus macroura	Species	Moraceae	Eukaryota	n.a.	stem	n.a.	PMID[15467233]
NPO33179	piper sp.	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15568762]
NPO18113	Crinum bulbispermum	Species	Amaryllidaceae	Eukaryota	n.a.	bulb	n.a.	PMID[15587597]
NPO11318	Eriodictyon californicum	Species	Namaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[1593282]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[1622242]
NPO27695	Centaurea sonchifolia	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[1624943]
NPO1086	Botrytis cinerea	Species	Sclerotiniaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16378371]
NPO1086	Botrytis cinerea	Species	Sclerotiniaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16643065]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16659156]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16668466]
NPO27600	Boesenbergia pandurata	Species	Zingiberaceae	Eukaryota	rhizomes	Pindaya Township, Shan State, Myanmar	2004-NOV	PMID[17896818]
NPO8025	Aaptos ciliata	Species	Suberitidae	Eukaryota	n.a.	n.a.	n.a.	PMID[18257536]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18460139]
NPO22421	Microtropis japonica	Species	Celastraceae	Eukaryota	n.a.	stem	n.a.	PMID[18471021]
NPO22421	Microtropis japonica	Species	Celastraceae	Eukaryota	stem	n.a.	n.a.	PMID[18471021]
NPO5325	Lobophytum durum	Species	Alcyoniidae	Eukaryota	n.a.	n.a.	n.a.	PMID[19177635]
NPO5325	Lobophytum durum	Species	Alcyoniidae	Eukaryota	n.a.	n.a.	n.a.	PMID[19433363]
NPO22421	Microtropis japonica	Species	Celastraceae	Eukaryota	Stems	n.a.	n.a.	PMID[19534471]
NPO12477	Dodonaea viscosa	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19719093]
NPO10464	Epipedobates anthonyi	Species	Dendrobatidae	Eukaryota	n.a.	n.a.	n.a.	PMID[20337496]
NPO2765	Oxytropis falcata	Species	Fabaceae	Eukaryota	n.a.	Sunan County, Gansu Province, China	2006-JUN	PMID[20684529]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20963508]
NPO5608	Croton gratissimus	Species	Euphorbiaceae	Eukaryota	n.a.	leaf	n.a.	PMID[22032651]
NPO5608	Croton gratissimus	Species	Euphorbiaceae	Eukaryota	n.a.	stem	n.a.	PMID[22032651]
NPO23270	Neolitsea daibuensis	Species	Lauraceae	Eukaryota	n.a.	root	n.a.	PMID[22148193]
NPO12477	Dodonaea viscosa	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22512738]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22537213]
NPO2765	Oxytropis falcata	Species	Fabaceae	Eukaryota	whole plant	Guide County, Qinghai Province, China	2008-AUG	PMID[22775441]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	Seeds	Tekirdag, Turkey		PMID[24499198]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25053043]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25070365]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	seed	n.a.	PMID[25369450]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25369450]
NPO41406	Escherichia coli + Escherichia coli coculture	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[26860871]
NPO40840	Eremophila spp.	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26960032]
NPO27600	Boesenbergia pandurata	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27508308]
NPO27600	Boesenbergia pandurata	Species	Zingiberaceae	Eukaryota	Rhizomes	n.a.	n.a.	PMID[28099006]
NPO41406	Escherichia coli + Escherichia coli coculture	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[29318204]
NPO41406	Escherichia coli + Escherichia coli coculture	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[29362971]
NPO8257	Carpha glomerata	Species	Cyperaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30219526]
NPO41406	Escherichia coli + Escherichia coli coculture	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[31125607]
NPO41406	Escherichia coli + Escherichia coli coculture	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[32285175]
NPO1086	Botrytis cinerea	Species	Sclerotiniaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32705864]
NPO19745	Esox lucius	Species	Esocidae	Eukaryota	n.a.	n.a.	n.a.	PMID[3349210]
NPO41406	Escherichia coli + Escherichia coli coculture	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[33930665]
NPO8059	Piper aduncum	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[8158163]
NPO28159	Rubia akane	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[8176404]
NPO23441	Schisandra sphaerandra	Species	Schisandraceae	Eukaryota	n.a.	stem	n.a.	PMID[8778243]
NPO22205	Trixis vauthieri	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[9287419]
NPO21610	Laurencia rigida	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[9358636]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO794	Lippia graveolens	Species	Verbenaceae	Eukaryota	Shoot	n.a.	n.a.	Database[FooDB]
NPO19745	Esox lucius	Species	Esocidae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	Sprout Seedling	n.a.	n.a.	Database[FooDB]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	Stem	n.a.	n.a.	Database[FooDB]
NPO784	Sinapis alba	Species	Brassicaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	Testa	n.a.	n.a.	Database[FooDB]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO794	Lippia graveolens	Species	Verbenaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO19745	Esox lucius	Species	Esocidae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO784	Sinapis alba	Species	Brassicaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	Cotyledon	n.a.	n.a.	Database[FooDB]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	Hypocotyl	n.a.	n.a.	Database[FooDB]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	Oil	n.a.	n.a.	Database[FooDB]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	Pericarp	n.a.	n.a.	Database[FooDB]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO794	Lippia graveolens	Species	Verbenaceae	Eukaryota	Root	n.a.	n.a.	Database[FooDB]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	Root	n.a.	n.a.	Database[FooDB]
NPO784	Sinapis alba	Species	Brassicaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO18184	Macaranga triloba	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23777	Delphinium occidentale	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO2921	Angelica acutiloba	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO12477	Dodonaea viscosa	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11187	Fraxinus mandshurica	Species	Oleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO3344	Bryonia alba	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO24262	Artemisia canariensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7845	Tephrosia elata	Species	Geometridae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20988	Geum urbanum	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO1373	Pulsatilla chinensis	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8059	Piper aduncum	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20787	Achyranthes aspera	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO6859	Eurycoma harmandiana	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO24295	Delphinium confusum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO1473	Xanthorhiza simplicissima	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO784	Sinapis alba	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21341	Morus macroura	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO18113	Crinum bulbispermum	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	seed	n.a.	Database[MetaboLights]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[MetaboLights]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	Seeds	n.a.		Database[Phenol-Explorer]
NPO8059	Piper aduncum	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23156	Maclura cochinchinensis	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO27397	Drymaria cordata	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23777	Delphinium occidentale	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11187	Fraxinus mandshurica	Species	Oleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5933	Drimia fugax	Species	Hyacinthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3344	Bryonia alba	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25089	Cinchona calisaya	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO27882	Boswellia ovalifoliolata	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18184	Macaranga triloba	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO784	Sinapis alba	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12477	Dodonaea viscosa	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1473	Xanthorhiza simplicissima	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24262	Artemisia canariensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1373	Pulsatilla chinensis	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO2131	Dactylorhiza viridis	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6859	Eurycoma harmandiana	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24295	Delphinium confusum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20988	Geum urbanum	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18113	Crinum bulbispermum	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20787	Achyranthes aspera	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO373	Viburnum erubescens	Species	Adoxaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8790	Cyanostegia angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7845	Tephrosia elata	Species	Geometridae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO2921	Angelica acutiloba	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23441	Schisandra sphaerandra	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21341	Morus macroura	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7845	Tephrosia elata	Species	Geometridae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO2921	Angelica acutiloba	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO784	Sinapis alba	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO1373	Pulsatilla chinensis	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO1473	Xanthorhiza simplicissima	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO12477	Dodonaea viscosa	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO8059	Piper aduncum	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO784	Sinapis alba	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO16865.1	Prunus serrulata var. spontanea	Varieties	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO1373	Pulsatilla chinensis	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO2921	Angelica acutiloba	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO28159	Rubia akane	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO3151	Solanum lanceolatum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21341	Morus macroura	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6065	Brassica carinata	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27695	Centaurea sonchifolia	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO12871	Arenaria kumaonensis	Species	Scolopacidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17337	Centaurea scoparia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22734	Neopringlea integrifolia	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4123	Trididemnum cyanophorum	Species	Didemnidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28063	Beilschmiedia madang	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6859	Eurycoma harmandiana	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22212	Rhizophora mangle	Species	Rhizophoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24262	Artemisia canariensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1184	Colchicum filifolium	Species	Colchicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8790	Cyanostegia angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18113	Crinum bulbispermum	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7418	Eucalyptus resinifera	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28313	Mentzelia decapetala	Species	Loasaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16156	Mucuna holtonii	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26342	Dialium excelsum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27613	Helleborus macranthus	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22670	Phebalium bilobum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27642	Podocarpus dacrydioides	Species	Podocarpaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28412	Amorphophallus konjac	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20868	Heterocentrotus mammillatus	Species	Echinometridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO784	Sinapis alba	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1293	Streptomyces matensis	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO22272	Raphanus raphanistrum	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO373	Viburnum erubescens	Species	Adoxaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24037	Cabucala erythrocarpa	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19854	Dorstenia foetida	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24318	Azospirillum halopraeferens	Species	Rhodospirillaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO13474	Euphrasia genargentea	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10038.1	Abies pinsapo var. marocana	Varieties	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2030	Mimosa pigra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8059	Piper aduncum	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11187	Fraxinus mandshurica	Species	Oleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1958	Eupatorium leucolepis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28003	Astragalus circassicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5970.1	Petunia axillaris subsp. parodii	Subspecies	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13193	Procambarus clarkii	Species	Cambaridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23270	Neolitsea daibuensis	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16612	Streptomyces aureoverticillatus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO593	Wikstroemia viridiflora	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20787	Achyranthes aspera	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27057	Matsucoccus josephi	Species	Margarodidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20027	Streptomyces versipellis	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO7032	Marasmiellus troyanus	Species	Omphalotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11849	Cynoglossum macrostylum	Species	Boraginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16298	Quercus marilandica	Species	Fagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18184	Macaranga triloba	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9737	Ampelocera edentula	Species	Ulmaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23744	Lecanora atra	Species	Lecanoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27145	Euphorbia hylonoma	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17102	Ocypus olens	Species	Staphylinidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21259	Crescentia alata	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5857	Achlya heterosexualis	Species	Saprolegniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4536	Remirea maritima	Species	Cyperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5933	Drimia fugax	Species	Hyacinthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9594	Lysimachia fordiana	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23441	Schisandra sphaerandra	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8025	Aaptos ciliata	Species	Suberitidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28159	Rubia akane	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9091	Orthosiphon spicatus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4901	Arnica mollis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21472	Pterolobium hexapetalum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7635	Glycine max	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25835	Parmotrema nilgherrense	Species	Parmeliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27637	Heliotropium scabrum	Species	Heliotropiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27234	Thalassiosira weissflogii	Species	Thalassiosiraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6425	Betula davurica	Species	Betulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO794	Lippia graveolens	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19941	Ophryosporus macrodon	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25499	Campanula choziatowskyi	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28206	Aniba santalodora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27506	Orgyia pseudotsugata	Species	Lymantriidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21610	Laurencia rigida	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23222	Salvia triloba	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8961	Bethencourtia palmensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26553	Lemonia spectabilis	Species	Lemoniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22671	Adenothamnus validus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3838	Chrysosporum ovalisporum	Species	Aphanizomenonaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO9867	Ixeris debilis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6596	Vaccinium ashei	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17936	Glycosmis arborea	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20853	Scaphander lignarius	Species	Scaphandridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22205	Trixis vauthieri	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO24058	Rubus vestii	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27397	Drymaria cordata	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8257	Carpha glomerata	Species	Cyperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22788	Barnettia kerrii	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO19561	Garcinia conrauana	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28044	Erythrina hypaphorus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28083	Salvia lavanduloides	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19383	Lactarius mitissimus	Species	Russulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19116	Lachnum papyraceum	Species	Hyaloscyphaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12477	Dodonaea viscosa	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12675	Prunus maximowiczii	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7845	Tephrosia elata	Species	Geometridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27702	Matricaria sabulosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5086	Alternaria macrospora	Species	Pleosporaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27338	Senecio platyphylloides	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23061	Cicer bijugum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28289	Nepytia freemani	Species	Geometridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5608	Croton gratissimus	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2921	Angelica acutiloba	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27916	Hardenbergia violacea	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21186	Polyporus tumulosus	Species	Polyporaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23156	Maclura cochinchinensis	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23836	Gracilaria lichenoides	Species	Gracilariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19745	Esox lucius	Species	Esocidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14938	Cybister lateralimarginalis	Species	Dytiscidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9354	Lepechinia urbanii	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1086	Botrytis cinerea	Species	Sclerotiniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6807	Ranunculus asiaticus	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14588	Baccharis trimera	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3277	Salix alba	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4164	Salvia virgata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26476	Preussia terricola	Species	Sporormiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16865.1	Prunus serrulata var. spontanea	Varieties	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1373	Pulsatilla chinensis	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10132	Schizophyllum lobatum	Species	Schizophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26321	Salvia patens	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23777	Delphinium occidentale	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24295	Delphinium confusum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2765	Oxytropis falcata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27882	Boswellia ovalifoliolata	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10464	Epipedobates anthonyi	Species	Dendrobatidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25089	Cinchona calisaya	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11239	Dittrichia viscosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27854	Sphaeria rousseliana	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO19727	Angelica edulis	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22421	Microtropis japonica	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22915	Stereocaulon azoreum	Species	Stereocaulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28179	Cynops ensicauda	Species	Salamandridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5325	Lobophytum durum	Species	Alcyoniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17421	Solanum crispum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28385	Iris kashmiriana	Species	Tarachodidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8938	Halobacillus litoralis	Species	Bacillaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO9353	Solidago spathulata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21123	Pecten opercularis	Species	Pectinidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28426	Etmopterus spinax	Species	Etmopteridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27600	Boesenbergia pandurata	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1399	Xylosma longifolia	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21776	Sesbania grandiflora	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2670	Maytenus chuchuhuasha	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11318	Eriodictyon californicum	Species	Namaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18221	Phlebiopsis gigantea	Species	Phanerochaetaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1473	Xanthorhiza simplicissima	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21583	Brenania brieyi	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2439	Diplopterygium glaucum	Species	Gleicheniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9998	Abies excelsa	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27614	Salix rosmarinifolia	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2131	Dactylorhiza viridis	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18934	Liatris mucronata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20561	Allantophomopsis lycopodina	Species	Phacidiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20988	Geum urbanum	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27816	Pterocaulon serrulatum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27986	Lonchocarpus chiricanus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24122	Nematochrysopsis roscoffensis	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO27455	Dysidea fragilis	Species	Dysideidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3344	Bryonia alba	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20525	Swartzia leiocalycina	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19421	Myristica moschata	Species	Myristicaceae	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
NPO794	NPC222342	Dried Or Powder	n.a.	93	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]

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

Biological Activity

Activity Type	# Activity
ED50	1
IC50	4
MIC	4
Others	16

Activity Type	# Activity
Cell Line	7
Individual Protein	5
Organism	8
Others	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1310	Individual Protein	Xanthine dehydrogenase	Bos taurus	Inhibition	=	0.0	%	PMID[476540]
NPT91	Cell Line	KB	Homo sapiens	ED50	=	10.0	ug ml-1	PMID[476544]
NPT1338	Individual Protein	Sialidase 2	Homo sapiens	IC50	=	890000.0	nM	PMID[476546]
NPT270	Individual Protein	Nitric oxide synthase, inducible	Mus musculus	IC50	=	19550.0	nM	PMID[476547]
NPT270	Individual Protein	Nitric oxide synthase, inducible	Mus musculus	Emax	=	85.17	%	PMID[476547]
NPT113	Cell Line	RAW264.7	Mus musculus	CC50	>	100000.0	nM	PMID[476547]
NPT3971	Individual Protein	Taste receptor type 2 member 31	Homo sapiens	IC50	=	3600.0	nM	PMID[476548]
NPT520	Cell Line	3T3-L1	Mus musculus	Activity	=	278.8	%	PMID[476549]
NPT520	Cell Line	3T3-L1	Mus musculus	Activity	=	419.9	%	PMID[476549]
NPT520	Cell Line	3T3-L1	Mus musculus	Activity	=	459.4	%	PMID[476549]
NPT114	Cell Line	LoVo	Homo sapiens	Activity	=	25.28	%	PMID[476550]
NPT114	Cell Line	LoVo	Homo sapiens	Activity	=	18.16	%	PMID[476550]
NPT2	Others	Unspecified		Inhibition	=	-52.0	%	PMID[476541]
NPT580	Organism	Trypanosoma cruzi	Trypanosoma cruzi	Activity	=	100.0	%	PMID[476542]
NPT487	Organism	Cladosporium cladosporioides	Cladosporium cladosporioides	Activity	=	1.0	ug	PMID[476543]
NPT488	Organism	Cladosporium sphaerospermum	Cladosporium sphaerospermum	Activity	=	1.0	ug	PMID[476543]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	0.5	ug	PMID[476544]
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MIC	=	2.0	ug	PMID[476544]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	5.0	ug	PMID[476544]
NPT3469	Organism	Biomphalaria glabrata	Biomphalaria glabrata	LC100	>	30.0	ppm	PMID[476544]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	209000.0	nM	PMID[476545]
NPT2	Others	Unspecified		Ratio IC50	<	0.9	n.a.	PMID[476546]
NPT2	Others	Unspecified		IC50	>	1000000.0	nM	PMID[476546]
NPT2	Others	Unspecified		Activity	=	18.89	%	PMID[476550]
NPT2	Others	Unspecified		Activity	=	4.87	%	PMID[476550]

☑ 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 NPC222342 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	343
0.1-0.2	1523
0.2-0.3	3905
0.3-0.4	10266
0.4-0.5	8020
0.5-0.6	3583
0.6-0.7	5564
0.7-0.8	5341
0.8-0.85	2236
0.85-0.9	1168
0.9-0.95	571
0.95-1	177

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC265871
1.0	High Similarity	NPC20709
1.0	High Similarity	NPC329203
1.0	High Similarity	NPC150648
1.0	High Similarity	NPC310135
1.0	High Similarity	NPC225153
1.0	High Similarity	NPC274784
0.9925	High Similarity	NPC6407
0.9925	High Similarity	NPC188243
0.9925	High Similarity	NPC110228
0.9852	High Similarity	NPC213322
0.9852	High Similarity	NPC4743
0.9852	High Similarity	NPC312391
0.9852	High Similarity	NPC324386
0.9851	High Similarity	NPC140890
0.985	High Similarity	NPC107586
0.985	High Similarity	NPC243083
0.985	High Similarity	NPC287246
0.985	High Similarity	NPC79943
0.985	High Similarity	NPC296490
0.985	High Similarity	NPC12296
0.985	High Similarity	NPC13768
0.985	High Similarity	NPC32441
0.985	High Similarity	NPC295261
0.9779	High Similarity	NPC223500
0.9779	High Similarity	NPC161506
0.9779	High Similarity	NPC296917
0.9779	High Similarity	NPC324134
0.9779	High Similarity	NPC182852
0.9779	High Similarity	NPC194432
0.9779	High Similarity	NPC220998
0.9779	High Similarity	NPC148757
0.9779	High Similarity	NPC32739
0.9779	High Similarity	NPC37496
0.9779	High Similarity	NPC166934
0.9779	High Similarity	NPC107572
0.9779	High Similarity	NPC76338
0.9779	High Similarity	NPC306829
0.9779	High Similarity	NPC78
0.9779	High Similarity	NPC265040
0.9779	High Similarity	NPC125855
0.9779	High Similarity	NPC167624
0.9779	High Similarity	NPC10937
0.9779	High Similarity	NPC228504
0.9779	High Similarity	NPC166482
0.9779	High Similarity	NPC324436
0.9779	High Similarity	NPC76372
0.9779	High Similarity	NPC177354
0.9779	High Similarity	NPC66515
0.9779	High Similarity	NPC328164
0.9779	High Similarity	NPC64915
0.9779	High Similarity	NPC227579
0.9779	High Similarity	NPC40833
0.9779	High Similarity	NPC1089
0.9778	High Similarity	NPC129853
0.9778	High Similarity	NPC284550
0.9778	High Similarity	NPC76445
0.9776	High Similarity	NPC472460
0.9776	High Similarity	NPC118813
0.9776	High Similarity	NPC99333
0.9776	High Similarity	NPC280284
0.9776	High Similarity	NPC188947
0.9776	High Similarity	NPC147686
0.9776	High Similarity	NPC329225
0.9708	High Similarity	NPC175504
0.9708	High Similarity	NPC278249
0.9708	High Similarity	NPC143896
0.9708	High Similarity	NPC223812
0.9708	High Similarity	NPC85162
0.9708	High Similarity	NPC75049
0.9708	High Similarity	NPC39329
0.9708	High Similarity	NPC316816
0.9708	High Similarity	NPC310130
0.9708	High Similarity	NPC150408
0.9708	High Similarity	NPC81697
0.9708	High Similarity	NPC91560
0.9708	High Similarity	NPC68104
0.9708	High Similarity	NPC164980
0.9708	High Similarity	NPC149026
0.9708	High Similarity	NPC185276
0.9708	High Similarity	NPC214166
0.9708	High Similarity	NPC221432
0.9708	High Similarity	NPC257097
0.9708	High Similarity	NPC125894
0.9708	High Similarity	NPC107177
0.9708	High Similarity	NPC169591
0.9708	High Similarity	NPC77794
0.9708	High Similarity	NPC478086
0.9706	High Similarity	NPC156190
0.9706	High Similarity	NPC166689
0.9706	High Similarity	NPC258630
0.9706	High Similarity	NPC96408
0.9706	High Similarity	NPC279650
0.9706	High Similarity	NPC3188
0.9706	High Similarity	NPC248372
0.9706	High Similarity	NPC110038
0.9706	High Similarity	NPC17170
0.9704	High Similarity	NPC261234
0.9701	High Similarity	NPC275055
0.9701	High Similarity	NPC290291
0.9701	High Similarity	NPC84585
0.9701	High Similarity	NPC476480
0.9638	High Similarity	NPC131568
0.9638	High Similarity	NPC209040
0.9638	High Similarity	NPC236766
0.9638	High Similarity	NPC235217
0.9638	High Similarity	NPC197252
0.9638	High Similarity	NPC473013
0.9638	High Similarity	NPC473014
0.9638	High Similarity	NPC131579
0.9638	High Similarity	NPC473015
0.9635	High Similarity	NPC202981
0.9635	High Similarity	NPC73028
0.963	High Similarity	NPC124269
0.9627	High Similarity	NPC124784
0.9627	High Similarity	NPC29353
0.9627	High Similarity	NPC234133
0.9627	High Similarity	NPC473887
0.9627	High Similarity	NPC47815
0.9627	High Similarity	NPC231772
0.9627	High Similarity	NPC127447
0.9627	High Similarity	NPC194281
0.9568	High Similarity	NPC83357
0.9568	High Similarity	NPC109183
0.9568	High Similarity	NPC214774
0.9568	High Similarity	NPC301276
0.9568	High Similarity	NPC470134
0.9568	High Similarity	NPC142405
0.9568	High Similarity	NPC176229
0.9568	High Similarity	NPC20488
0.9568	High Similarity	NPC470132
0.9568	High Similarity	NPC312973
0.9568	High Similarity	NPC88964
0.9568	High Similarity	NPC267375
0.9568	High Similarity	NPC246948
0.9568	High Similarity	NPC285630
0.9568	High Similarity	NPC470133
0.9568	High Similarity	NPC475052
0.9568	High Similarity	NPC127059
0.9568	High Similarity	NPC470131
0.9568	High Similarity	NPC473078
0.9568	High Similarity	NPC111786
0.9568	High Similarity	NPC67805
0.9568	High Similarity	NPC470647
0.9568	High Similarity	NPC195621
0.9568	High Similarity	NPC472629
0.9568	High Similarity	NPC54577
0.9565	High Similarity	NPC113770
0.9559	High Similarity	NPC316480
0.9559	High Similarity	NPC18260
0.9559	High Similarity	NPC78913
0.9556	High Similarity	NPC250266
0.9556	High Similarity	NPC266597
0.9556	High Similarity	NPC188879
0.9552	High Similarity	NPC239495
0.9552	High Similarity	NPC9985
0.9552	High Similarity	NPC99854
0.95	High Similarity	NPC23728
0.95	High Similarity	NPC296998
0.95	High Similarity	NPC472627
0.95	High Similarity	NPC110303
0.95	High Similarity	NPC476182
0.95	High Similarity	NPC40086
0.95	High Similarity	NPC122828
0.95	High Similarity	NPC300988
0.95	High Similarity	NPC176869
0.95	High Similarity	NPC473077
0.95	High Similarity	NPC3779
0.95	High Similarity	NPC211466
0.95	High Similarity	NPC10990
0.95	High Similarity	NPC44721
0.95	High Similarity	NPC283234
0.9496	High Similarity	NPC470135
0.9496	High Similarity	NPC110776
0.9496	High Similarity	NPC271590
0.9496	High Similarity	NPC87486
0.9496	High Similarity	NPC271288
0.9496	High Similarity	NPC124780
0.9496	High Similarity	NPC184649
0.9496	High Similarity	NPC470136
0.9496	High Similarity	NPC470890
0.9496	High Similarity	NPC303185
0.9496	High Similarity	NPC39045
0.9496	High Similarity	NPC311144
0.9496	High Similarity	NPC319752
0.9493	High Similarity	NPC147145
0.9489	High Similarity	NPC182421
0.9489	High Similarity	NPC241100
0.9489	High Similarity	NPC69769
0.9489	High Similarity	NPC159275
0.9485	High Similarity	NPC201395
0.9481	High Similarity	NPC13408
0.9481	High Similarity	NPC240593
0.9433	High Similarity	NPC132592
0.9433	High Similarity	NPC161191
0.9433	High Similarity	NPC160821
0.9429	High Similarity	NPC187282
0.9429	High Similarity	NPC474161
0.9429	High Similarity	NPC476153
0.9429	High Similarity	NPC299011

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 NPC222342 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	317
0.1-0.2	925
0.2-0.3	1524
0.3-0.4	2540
0.4-0.5	1910
0.5-0.6	1230
0.6-0.7	492
0.7-0.8	145
0.8-0.85	37
0.85-0.9	21
0.9-0.95	6
0.95-1	3

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.985	High Similarity	NPD1550	Clinical (unspecified phase)
0.985	High Similarity	NPD1552	Clinical (unspecified phase)
0.9776	High Similarity	NPD1549	Phase 2
0.9265	High Similarity	NPD1510	Phase 2
0.9254	High Similarity	NPD1240	Approved
0.922	High Similarity	NPD4378	Clinical (unspecified phase)
0.9197	High Similarity	NPD2796	Approved
0.9172	High Similarity	NPD1934	Approved
0.9118	High Similarity	NPD1607	Approved
0.911	High Similarity	NPD2393	Clinical (unspecified phase)
0.9048	High Similarity	NPD8443	Clinical (unspecified phase)
0.8973	High Similarity	NPD7411	Suspended
0.8951	High Similarity	NPD7410	Clinical (unspecified phase)
0.8926	High Similarity	NPD7075	Discontinued
0.8904	High Similarity	NPD4380	Phase 2
0.8851	High Similarity	NPD7096	Clinical (unspecified phase)
0.88	High Similarity	NPD4381	Clinical (unspecified phase)
0.875	High Similarity	NPD1511	Approved
0.875	High Similarity	NPD6799	Approved
0.8725	High Similarity	NPD7819	Suspended
0.8658	High Similarity	NPD6801	Discontinued
0.863	High Similarity	NPD1512	Approved
0.86	High Similarity	NPD2801	Approved
0.8581	High Similarity	NPD6167	Clinical (unspecified phase)
0.8581	High Similarity	NPD6166	Phase 2
0.8581	High Similarity	NPD6168	Clinical (unspecified phase)
0.8551	High Similarity	NPD6859	Clinical (unspecified phase)
0.8542	High Similarity	NPD3750	Approved
0.8523	High Similarity	NPD6599	Discontinued
0.8521	High Similarity	NPD1551	Phase 2
0.8506	High Similarity	NPD6959	Discontinued
0.8487	Intermediate Similarity	NPD3882	Suspended
0.8472	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.8462	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8433	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.8431	Intermediate Similarity	NPD3749	Approved
0.8418	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8403	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8366	Intermediate Similarity	NPD7768	Phase 2
0.8365	Intermediate Similarity	NPD7074	Phase 3
0.8345	Intermediate Similarity	NPD2800	Approved
0.8322	Intermediate Similarity	NPD5403	Approved
0.8311	Intermediate Similarity	NPD5401	Approved
0.8302	Intermediate Similarity	NPD7054	Approved
0.8301	Intermediate Similarity	NPD3817	Phase 2
0.825	Intermediate Similarity	NPD7472	Approved
0.8247	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8239	Intermediate Similarity	NPD3818	Discontinued
0.8207	Intermediate Similarity	NPD2344	Approved
0.8205	Intermediate Similarity	NPD5494	Approved
0.8199	Intermediate Similarity	NPD6797	Phase 2
0.8194	Intermediate Similarity	NPD3748	Approved
0.8188	Intermediate Similarity	NPD1203	Approved
0.8182	Intermediate Similarity	NPD6651	Approved
0.8163	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8162	Intermediate Similarity	NPD1610	Phase 2
0.8148	Intermediate Similarity	NPD7251	Discontinued
0.8143	Intermediate Similarity	NPD4908	Phase 1
0.8134	Intermediate Similarity	NPD1548	Phase 1
0.8098	Intermediate Similarity	NPD7808	Phase 3
0.8095	Intermediate Similarity	NPD1243	Approved
0.8079	Intermediate Similarity	NPD920	Approved
0.8069	Intermediate Similarity	NPD7033	Discontinued
0.8054	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.8041	Intermediate Similarity	NPD4628	Phase 3
0.8037	Intermediate Similarity	NPD6559	Discontinued
0.8028	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.8014	Intermediate Similarity	NPD6099	Approved
0.8014	Intermediate Similarity	NPD6100	Approved
0.8014	Intermediate Similarity	NPD2935	Discontinued
0.8014	Intermediate Similarity	NPD6832	Phase 2
0.7988	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7988	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD2309	Approved
0.7975	Intermediate Similarity	NPD5953	Discontinued
0.7971	Intermediate Similarity	NPD9717	Approved
0.7963	Intermediate Similarity	NPD7286	Phase 2
0.7949	Intermediate Similarity	NPD5402	Approved
0.7947	Intermediate Similarity	NPD2534	Approved
0.7947	Intermediate Similarity	NPD2532	Approved
0.7947	Intermediate Similarity	NPD2533	Approved
0.7947	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7945	Intermediate Similarity	NPD2799	Discontinued
0.7917	Intermediate Similarity	NPD943	Approved
0.7902	Intermediate Similarity	NPD3268	Approved
0.7902	Intermediate Similarity	NPD2313	Discontinued
0.7899	Intermediate Similarity	NPD422	Phase 1
0.7875	Intermediate Similarity	NPD6232	Discontinued
0.7853	Intermediate Similarity	NPD5844	Phase 1
0.784	Intermediate Similarity	NPD7473	Discontinued
0.7823	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7801	Intermediate Similarity	NPD2797	Approved
0.7793	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7793	Intermediate Similarity	NPD1613	Approved
0.7758	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7756	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7746	Intermediate Similarity	NPD2798	Approved
0.7742	Intermediate Similarity	NPD3226	Approved
0.774	Intermediate Similarity	NPD1933	Approved
0.774	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.774	Intermediate Similarity	NPD5124	Phase 1
0.7737	Intermediate Similarity	NPD9545	Approved
0.7733	Intermediate Similarity	NPD4363	Phase 3
0.7733	Intermediate Similarity	NPD4360	Phase 2
0.7733	Intermediate Similarity	NPD2654	Approved
0.773	Intermediate Similarity	NPD3225	Approved
0.7718	Intermediate Similarity	NPD2346	Discontinued
0.7712	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7703	Intermediate Similarity	NPD4308	Phase 3
0.7688	Intermediate Similarity	NPD919	Approved
0.7682	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7676	Intermediate Similarity	NPD3266	Approved
0.7676	Intermediate Similarity	NPD3267	Approved
0.7658	Intermediate Similarity	NPD1465	Phase 2
0.7655	Intermediate Similarity	NPD6798	Discontinued
0.7639	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.763	Intermediate Similarity	NPD1241	Discontinued
0.7619	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD3926	Phase 2
0.7593	Intermediate Similarity	NPD1247	Approved
0.7591	Intermediate Similarity	NPD9493	Approved
0.7589	Intermediate Similarity	NPD1608	Approved
0.7589	Intermediate Similarity	NPD3972	Approved
0.7569	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7543	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7534	Intermediate Similarity	NPD1296	Phase 2
0.7532	Intermediate Similarity	NPD7390	Discontinued
0.75	Intermediate Similarity	NPD6104	Discontinued
0.75	Intermediate Similarity	NPD1019	Discontinued
0.75	Intermediate Similarity	NPD4288	Approved
0.75	Intermediate Similarity	NPD230	Phase 1
0.75	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD4361	Phase 2
0.7485	Intermediate Similarity	NPD1729	Discontinued
0.747	Intermediate Similarity	NPD3751	Discontinued
0.7466	Intermediate Similarity	NPD4625	Phase 3
0.7448	Intermediate Similarity	NPD2861	Phase 2
0.7439	Intermediate Similarity	NPD5710	Approved
0.7439	Intermediate Similarity	NPD5711	Approved
0.7432	Intermediate Similarity	NPD4307	Phase 2
0.7419	Intermediate Similarity	NPD7212	Phase 2
0.7419	Intermediate Similarity	NPD7213	Phase 3
0.7415	Intermediate Similarity	NPD411	Approved
0.7415	Intermediate Similarity	NPD3764	Approved
0.7413	Intermediate Similarity	NPD4749	Approved
0.7405	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7399	Intermediate Similarity	NPD4287	Approved
0.7394	Intermediate Similarity	NPD1201	Approved
0.7391	Intermediate Similarity	NPD2296	Approved
0.7386	Intermediate Similarity	NPD1652	Phase 2
0.7383	Intermediate Similarity	NPD447	Suspended
0.7383	Intermediate Similarity	NPD6355	Discontinued
0.7376	Intermediate Similarity	NPD17	Approved
0.7375	Intermediate Similarity	NPD6844	Discontinued
0.7372	Intermediate Similarity	NPD4662	Approved
0.7372	Intermediate Similarity	NPD4661	Approved
0.7365	Intermediate Similarity	NPD6233	Phase 2
0.7357	Intermediate Similarity	NPD1894	Discontinued
0.7349	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7347	Intermediate Similarity	NPD3027	Phase 3
0.7343	Intermediate Similarity	NPD1481	Phase 2
0.7333	Intermediate Similarity	NPD3787	Discontinued
0.7318	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD3142	Approved
0.7315	Intermediate Similarity	NPD3140	Approved
0.7314	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD5889	Approved
0.7312	Intermediate Similarity	NPD5890	Approved
0.731	Intermediate Similarity	NPD1470	Approved
0.7308	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD7458	Discontinued
0.729	Intermediate Similarity	NPD3887	Approved
0.729	Intermediate Similarity	NPD2354	Approved
0.7273	Intermediate Similarity	NPD7199	Phase 2
0.7273	Intermediate Similarity	NPD1535	Discovery
0.7268	Intermediate Similarity	NPD7584	Approved
0.7267	Intermediate Similarity	NPD7577	Discontinued
0.7261	Intermediate Similarity	NPD7447	Phase 1
0.7255	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD1471	Phase 3
0.7241	Intermediate Similarity	NPD1876	Approved
0.7237	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7229	Intermediate Similarity	NPD7229	Phase 3
0.7209	Intermediate Similarity	NPD8313	Approved
0.7209	Intermediate Similarity	NPD8312	Approved
0.7208	Intermediate Similarity	NPD2424	Discontinued
0.7192	Intermediate Similarity	NPD1164	Approved
0.7186	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD6280	Approved
0.716	Intermediate Similarity	NPD5940	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD6279	Approved
0.7143	Intermediate Similarity	NPD2403	Approved
0.7143	Intermediate Similarity	NPD2353	Approved
0.7143	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD6585	Discontinued
0.7134	Intermediate Similarity	NPD7440	Discontinued

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