NPASS Compound

Structure

CID143799 OpenBabel06191715502D 22 24 0 0 0 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 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 -0.8660 -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 -0.0000 -2.0000 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 0.8660 -0.5000 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 1.7321 -2.0000 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 21 1 0 0 0 0 2 4 1 0 0 0 0 2 8 2 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 22 1 0 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	300.06
Volume:	291.273
LogP:	3.318
LogD:	2.545
LogS:	-3.663
# Rotatable Bonds:	2
TPSA:	100.13
# H-Bond Aceptor:	6
# H-Bond Donor:	3
# Rings:	3
# Heavy Atoms:	6

MedChem Properties

QED Drug-Likeness Score:	0.672
Synthetic Accessibility Score:	2.289
Fsp3:	0.062
Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Accepted
GSK Rule:	Accepted
BMS Rule:	0
Golden Triangle Rule:	Accepted
Chelating Alert:	1
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-4.892
MDCK Permeability:	1.094045364880003e-05
Pgp-inhibitor:	0.046
Pgp-substrate:	0.018
Human Intestinal Absorption (HIA):	0.009
20% Bioavailability (F20%):	0.004
30% Bioavailability (F30%):	0.913

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.009
Plasma Protein Binding (PPB):	97.71268463134766%
Volume Distribution (VD):	0.612
Pgp-substrate:	4.671809196472168%

ADMET: Metabolism

CYP1A2-inhibitor:	0.971
CYP1A2-substrate:	0.677
CYP2C19-inhibitor:	0.511
CYP2C19-substrate:	0.055
CYP2C9-inhibitor:	0.727
CYP2C9-substrate:	0.912
CYP2D6-inhibitor:	0.73
CYP2D6-substrate:	0.591
CYP3A4-inhibitor:	0.612
CYP3A4-substrate:	0.114

ADMET: Excretion

Clearance (CL):	5.318
Half-life (T1/2):	0.863

ADMET: Toxicity

hERG Blockers:	0.051
Human Hepatotoxicity (H-HT):	0.081
Drug-inuced Liver Injury (DILI):	0.978
AMES Toxicity:	0.655
Rat Oral Acute Toxicity:	0.148
Maximum Recommended Daily Dose:	0.18
Skin Sensitization:	0.649
Carcinogencity:	0.099
Eye Corrosion:	0.007
Eye Irritation:	0.919
Respiratory Toxicity:	0.125

Download Data

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

Natural Product: NPC143799

Natural Product ID:	NPC143799
*Common Name:**	Rhamnocitrin
IUPAC Name:	3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Synonyms:	Rhamnocitrin
Standard InCHIKey:	MQSZRBPYXNEFHF-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
SMILES:	COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(cc1)O
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL442289
PubChem CID:	5320946
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000261] Phenylpropanoids and polyketides [CHEMONTID:0000334] Flavonoids [CHEMONTID:0001615] Flavones [CHEMONTID:0001136] Flavonols

*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	leaf	n.a.	DOI[10.1007/s11418-006-0112-9]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	flower	n.a.	DOI[10.1007/s11418-006-0112-9]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	stem	n.a.	DOI[10.1007/s11418-006-0112-9]
NPO22715	Alpinia oxyphylla	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/0031-9422(81)85171-0]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	DOI[10.1021/np50075a009]
NPO14417	Iris tectorum	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10075762]
NPO33456	inula viscosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10217718]
NPO24176	Streptomyces fradiae	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[10757717]
NPO23281	Aplysinella rhax	Species	Aplysinellidae	Eukaryota	n.a.	n.a.	n.a.	PMID[10757728]
NPO24219	Erylus nobilis	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[11421740]
NPO22715	Alpinia oxyphylla	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11514174]
NPO28450	Phyllanthus emblica	Species	Phyllanthaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11754604]
NPO24219	Erylus nobilis	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[11908993]
NPO21963	Hypericum japonicum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11914965]
NPO11059	Callicarpa japonica	Species	Lamiaceae	Eukaryota	n.a.	leaf	n.a.	PMID[12165300]
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[12350165]
NPO22715	Alpinia oxyphylla	Species	Zingiberaceae	Eukaryota	fruit	Hainan Island, China	1998	PMID[12398545]
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]
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[1402962]
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota	n.a.	Okinawan, Japan	n.a.	PMID[14695804]
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[15332859]
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]
NPO30734	Belamcanda chinensis	Species	Iridaceae	Eukaryota	rhizomes	Thai	n.a.	PMID[15787436]
NPO19240	Ligularia cymbulifera	Species	Asteraceae	Eukaryota	Roots	n.a.	n.a.	PMID[16643057]
NPO21995	Gelsemium elegans	Species	Gelsemiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16643063]
NPO15538	Eucalyptus citriodora	Species	Myrtaceae	Eukaryota	Leaves	the campus of Panjab University, Chandigarh, India		PMID[16989303]
NPO21995	Gelsemium elegans	Species	Gelsemiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16989532]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[17253088]
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[17407351]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	PMID[17548953]
NPO23281	Aplysinella rhax	Species	Aplysinellidae	Eukaryota	n.a.	n.a.	n.a.	PMID[17827010]
NPO8080	Sarcophyton elegans	Species	Alcyoniidae	Eukaryota	n.a.	n.a.	n.a.	PMID[18004813]
NPO20637	Piper acutifolium	Species	Piperaceae	Eukaryota	n.a.	leaf	n.a.	PMID[18712933]
NPO28450	Phyllanthus emblica	Species	Phyllanthaceae	Eukaryota	Roots	Simao city, Yunnan Province, China	2007-MAY	PMID[19374435]
NPO5018	Nervilia fordii	Species	Orchidaceae	Eukaryota	whole plant	n.a.	n.a.	PMID[19422205]
NPO23924	Psilotum nudum	Species	Psilotaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20488581]
NPO23499	Carpesium faberi	Species	Asteraceae	Eukaryota	whole plant	Changshou County, Chongqing, China	2008-Aug	PMID[21109433]
NPO19832	Gambierdiscus toxicus	Species	Goniodomataceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21250701]
NPO11100	Artemisia capillaris	Species	Asteraceae	Eukaryota	n.a.	whole plant	n.a.	PMID[21428416]
NPO9888	Lobophytum laevigatum	Species	Alcyoniidae	Eukaryota	n.a.	Vietnamese	n.a.	PMID[21458279]
NPO7528	Belamcanda chinensis	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21465599]
NPO9888	Lobophytum laevigatum	Species	Alcyoniidae	Eukaryota	n.a.	Vietnamese soft coral	n.a.	PMID[21507644]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	flower	n.a.	PMID[21916433]
NPO22715	Alpinia oxyphylla	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22277277]
NPO19803	Oxytropis ochrocephala	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22494026]
NPO19792	Populus tomentosa	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22860454]
NPO11100	Artemisia capillaris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22870812]
NPO11100	Artemisia capillaris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23435948]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	flower buds	n.a.	n.a.	PMID[23558238]
NPO22715	Alpinia oxyphylla	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23583435]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	Roots	n.a.	n.a.	PMID[24054487]
NPO21995	Gelsemium elegans	Species	Gelsemiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24256496]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	roots	n.a.	n.a.	PMID[24412339]
NPO14417	Iris tectorum	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24433009]
NPO15538	Eucalyptus citriodora	Species	Myrtaceae	Eukaryota	Essential oil	n.a.	n.a.	PMID[24641242]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	PMID[24675423]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	Bako, Ethiopia		PMID[24926420]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	Enemore, Ethiopia		PMID[24926420]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	Gedo, Ethiopia		PMID[24926420]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	Holleta, Ethiopia		PMID[24926420]
NPO7528	Belamcanda chinensis	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25036154]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25068786]
NPO11100	Artemisia capillaris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25737008]
NPO22715	Alpinia oxyphylla	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25757283]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25844502]
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[25987373]
NPO21995	Gelsemium elegans	Species	Gelsemiaceae	Eukaryota	leaves and vine stems	Xishuangbanna Tropical Botanical Garden (XTBG), Chinese Academy of Science (CAS), Mengla County, Yunnan Province, China	2009-OCT	PMID[26103517]
NPO21995	Gelsemium elegans	Species	Gelsemiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26222693]
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	Flower Buds	n.a.	n.a.	PMID[26977531]
NPO21963	Hypericum japonicum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27116034]
NPO14558	Aquilaria sinensis	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27128895]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27228307]
NPO14417	Iris tectorum	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28032759]
NPO14558	Aquilaria sinensis	Species	Thymelaeaceae	Eukaryota	Resinous Wood	n.a.	n.a.	PMID[29227647]
NPO21963	Hypericum japonicum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29667821]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30188125]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30758201]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	Roots	n.a.	n.a.	PMID[31150241]
NPO7528	Belamcanda chinensis	Species	Iridaceae	Eukaryota	Rhizomes	n.a.	n.a.	PMID[31246464]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31860304]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32223193]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[6387056]
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[7807132]
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[8904847]
NPO11059	Callicarpa japonica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[9222055]
NPO30734	Belamcanda chinensis	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[9917289]
NPO27951	Vigna mungo	Species	Fabaceae	Eukaryota	Leaf Diffusate	n.a.	n.a.	Database[FooDB]
NPO27951	Vigna mungo	Species	Fabaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO27951	Vigna mungo	Species	Fabaceae	Eukaryota	Sprout Seedling	n.a.	n.a.	Database[FooDB]
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	Stem	n.a.	n.a.	Database[FooDB]
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO27951	Vigna mungo	Species	Fabaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO18599	Pangium edule	Species	Achariaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	Bark	n.a.	n.a.	Database[FooDB]
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	Essential Oil	n.a.	n.a.	Database[FooDB]
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO10506	Artemisia apiacea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21963	Hypericum japonicum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22555	Alomia myriadenia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5024	Alpinia japonica	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20554	Astragalus complanatus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28450	Phyllanthus emblica	Species	Phyllanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO62	Tetracera asiatica	Species	Dilleniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19792	Populus tomentosa	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21625	Bidens tripartita	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO30734	Belamcanda chinensis	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22455	Corydalis sewerzowi	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14558	Aquilaria sinensis	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14417	Iris tectorum	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14715	Trollius chinensis	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22715	Alpinia oxyphylla	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25176	Tamarix hispida	Species	Tamaricaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15786	Umbilicaria esculenta	Species	Umbilicariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO18681	Artemisia scoparia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23924	Psilotum nudum	Species	Psilotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21995	Gelsemium elegans	Species	Gelsemiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11100	Artemisia capillaris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO31132	Eucalyptus citriodora	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[MetaboLights]
NPO28450	Phyllanthus emblica	Species	Phyllanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15786	Umbilicaria esculenta	Species	Umbilicariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14558	Aquilaria sinensis	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16978	Entada phaseoloides	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15538	Eucalyptus citriodora	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21625	Bidens tripartita	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22636	Sterculia foetida	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23924	Psilotum nudum	Species	Psilotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20554	Astragalus complanatus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11100	Artemisia capillaris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14417	Iris tectorum	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22555	Alomia myriadenia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8300	Apis mellifera ligustica	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO62	Tetracera asiatica	Species	Dilleniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22715	Alpinia oxyphylla	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7528	Belamcanda chinensis	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18681	Artemisia scoparia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22455	Corydalis sewerzowi	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO2028	Campsis grandiflora	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17749	Jackiella javanica	Species	Jackiellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16309	Semen astragali complanati	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO21995	Gelsemium elegans	Species	Gelsemiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9394	Herba artemisiae scopariae	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5024	Alpinia japonica	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11059	Callicarpa japonica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10506	Artemisia apiacea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21963	Hypericum japonicum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14715	Trollius chinensis	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19792	Populus tomentosa	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25176	Tamarix hispida	Species	Tamaricaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10506	Artemisia apiacea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO16978	Entada phaseoloides	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14417	Iris tectorum	Species	Iridaceae	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]
NPO28450	Phyllanthus emblica	Species	Phyllanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO18681	Artemisia scoparia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO30734	Belamcanda chinensis	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO31579	Artemisia capillaries	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO22715	Alpinia oxyphylla	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO20554	Astragalus complanatus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO22636	Sterculia foetida	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO31132	Eucalyptus citriodora	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO19792	Populus tomentosa	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO2028	Campsis grandiflora	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21963	Hypericum japonicum	Species	Hypericaceae	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]
NPO14558	Aquilaria sinensis	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO5024	Alpinia japonica	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO11100	Artemisia capillaris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO24090	Aplysilla rosea	Species	Darwinellidae	Eukaryota	n.a.	Austrila	n.a.	Database[Title]
NPO14558	Aquilaria sinensis	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO10506	Artemisia apiacea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO14417	Iris tectorum	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO22715	Alpinia oxyphylla	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO2028	Campsis grandiflora	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO7528	Belamcanda chinensis	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO28450	Phyllanthus emblica	Species	Phyllanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO11100	Artemisia capillaris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO16978	Entada phaseoloides	Species	Fabaceae	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]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO3987	Syzygium aromaticum	Species	Myrtaceae	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]
NPO20554	Astragalus complanatus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO23459	Onoseris alata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14715	Trollius chinensis	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19631	Aphis pini	Species	Aphididae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23920	Amanita pseudoporphyria	Species	Amanitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5018	Nervilia fordii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17749	Jackiella javanica	Species	Jackiellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18672	Senecio adenophyllus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18839	Lilium umbellatum	Species	Liliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19706	Polyzonium rosalbum	Species	Polyzoniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18163	Aulosira fertilissima	Species	Fortieaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO17698	Cirsium oligophyllum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24219	Erylus nobilis	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO14249	Diplodia natalensis	Species	Botryosphaeriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21963	Hypericum japonicum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10506	Artemisia apiacea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19535	Senecio zoellneri	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19168	Solidago flexicaulis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24290	Claviceps microcephala	Species	Clavicipitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13127	Vallaris heynei	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24048	Cladonia pityrea	Species	Cladoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18599	Pangium edule	Species	Achariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13727	Hemionitis japonica	Species	Pteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27951	Vigna mungo	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8080	Sarcophyton elegans	Species	Alcyoniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15481	Hypericum balearicum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14417	Iris tectorum	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11083	Avrainvillea longicaulis	Species	Udoteaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2354	Rhizobium leguminosarum	Species	Rhizobiaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO11100	Artemisia capillaris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8593	Zygosaccharomyces rouxii	Species	Saccharomycetaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23413	Crematogaster africana	Species	Formicidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16043	Centaurea musimomum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24176	Streptomyces fradiae	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO21827	Albatrellus caeruleoporus	Species	Albatrellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15538	Eucalyptus citriodora	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9888	Lobophytum laevigatum	Species	Alcyoniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16978	Entada phaseoloides	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23545	Vellozia streptophylla	Species	Velloziaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5024	Alpinia japonica	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2028	Campsis grandiflora	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20554	Astragalus complanatus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19086	Nematolepis phebalioides	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28450	Phyllanthus emblica	Species	Phyllanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17490	Trichophyton mentagrophytes	Species	Arthrodermataceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12429	Acicarpha tribuloides	Species	Calyceraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23043	Cryptolestes pusillus	Species	Laemophloeidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19832	Gambierdiscus toxicus	Species	Goniodomataceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20637	Piper acutifolium	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18976	Centaurea arbutifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23924	Psilotum nudum	Species	Psilotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19370	Coprosma areolata	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20998	Machaerium kuhlmannii	Species	Dolichopodidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22636	Sterculia foetida	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11059	Callicarpa japonica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23792	Gomphostemma parviflorum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4010	Flemingia philippinensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15715	Astragalus mongholicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26532	Gmelina asiatica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13344	Helichrysum cephaloideum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9756	Daphne genkwa	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16316	Cylindrospermum muscicola	Species	0stocaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO4591	Neobellieria bullata	Species	Sarcophagidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22715	Alpinia oxyphylla	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19766	Viguiera linearis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23499	Carpesium faberi	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24090	Aplysilla rosea	Species	Darwinellidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19240	Ligularia cymbulifera	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23364	Lambertella corni	Species	Rutstroemiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18041	Cladrastis platycarpa	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24846	Astragalus membranaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17894	Rhus vulgaris	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22324	Erium villosum	Species	Pseudococcidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24249	Codonopsis cordifolioidea	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19010	Elephantopus hirtiflorus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23834	Chlamydomonas allensworthii	Species	Chlamydomonadaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18345	Phora velutina	Species	Phoridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4499	Aglaia formosana	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23884	Hippobroma longiflora	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17737	Lepidorhinus squamosus	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO22595	Trapa bicornis	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23696	Solanum diflorum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23211	Xyris indica	Species	Xyridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16132	Bryum argenteum	Species	Bryaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21660	Magnolia montana	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21995	Gelsemium elegans	Species	Gelsemiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17222	Hesperis matronalis	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24408	Ariocarpus fissuratus	Species	Cactaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21625	Bidens tripartita	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18260	Eremanthus seidelii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22555	Alomia myriadenia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23610	Aconitum tianschanicum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14214	Sedum obtuso-lineare	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24445	Arbacia pustulosa	Species	Arbaciidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23961	Scytonema ocellatum	Species	Scytonemataceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO19571	Oreopteris quelpaertensis	Species	Thelypteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23739	Staehelina fruticosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16776	Euphorbia amygdaloides	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24132	Euphausia superba	Species	Euphausiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19792	Populus tomentosa	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18422	Stizolobium deeringianum	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO23281	Aplysinella rhax	Species	Aplysinellidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15119	Aphis graminum	Species	Aphididae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23114	Cacalia robusta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18681	Artemisia scoparia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22455	Corydalis sewerzowi	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18925	Artemisia rehan	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24364	Petrosia corticata	Species	Petrosiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12860	Clione antarctica	Species	Clionidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24005	Mytilus galloprovincialis	Species	Mytilidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7528	Belamcanda chinensis	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19306	Cortinarius orellanus	Species	Cortinariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22143	Genista sessilifolia	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO738	Dahlstedtia pentaphylla	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO62	Tetracera asiatica	Species	Dilleniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23318	Aconitum palmatum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17350	Jatropha macrorhiza	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19803	Oxytropis ochrocephala	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16725	Dalbergia hupeana	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5782	Aniba rosaeodora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15437	Aspergillus desertorum	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14558	Aquilaria sinensis	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15786	Umbilicaria esculenta	Species	Umbilicariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]

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

NP Quantity Composition/Concentration

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

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

Biological Activity

Activity Type	# Activity
IC50	6
MIC	7
Others	5

Activity Type	# Activity
Cell Line	1
Individual Protein	6
Organism	9
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT493	Individual Protein	Neuraminidase	Influenza A virus	IC50	=	51500.0	nM	PMID[478336]
NPT493	Individual Protein	Neuraminidase	Influenza A virus	IC50	=	83900.0	nM	PMID[478336]
NPT493	Individual Protein	Neuraminidase	Influenza A virus	IC50	=	62000.0	nM	PMID[478336]
NPT189	Cell Line	Vero	Chlorocebus aethiops	MNCC	=	0.08	mM	PMID[478337]
NPT1602	Individual Protein	Neuraminidase	Influenza A virus (A/Puerto Rico/8/1934(H1N1))	IC50	=	15.46	ug.mL-1	PMID[478338]
NPT1602	Individual Protein	Neuraminidase	Influenza A virus (A/Puerto Rico/8/1934(H1N1))	logIC50	=	1.189	n.a.	PMID[478338]
NPT261	Individual Protein	Monoamine oxidase A	Homo sapiens	IC50	=	51.0	nM	PMID[478341]
NPT1127	Organism	Porphyromonas gingivalis	Porphyromonas gingivalis	MIC	=	625.0	ug.mL-1	PMID[478333]
NPT1128	Organism	Prevotella intermedia	Prevotella intermedia	MIC	=	625.0	ug.mL-1	PMID[478333]
NPT878	Organism	Streptococcus mutans	Streptococcus mutans	MIC	=	1250.0	ug.mL-1	PMID[478333]
NPT1129	Organism	Actinomyces viscosus	Actinomyces viscosus	MIC	=	1250.0	ug.mL-1	PMID[478333]
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	78.0	%	PMID[478335]
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	6.0	%	PMID[478335]
NPT790	Organism	Mycobacterium tuberculosis H37Rv	Mycobacterium tuberculosis H37Rv	MIC	=	15.3	ug.mL-1	PMID[478339]
NPT790	Organism	Mycobacterium tuberculosis H37Rv	Mycobacterium tuberculosis H37Rv	MIC	=	37.7	ug.mL-1	PMID[478339]
NPT790	Organism	Mycobacterium tuberculosis H37Rv	Mycobacterium tuberculosis H37Rv	MIC	=	59.7	ug.mL-1	PMID[478339]
NPT2	Others	Unspecified		Ratio IC50	=	58.2	n.a.	PMID[478341]
NPT2	Others	Unspecified		IC50	=	731100.0	nM	PMID[478342]

☑ 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 NPC143799 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	485
0.1-0.2	2014
0.2-0.3	5293
0.3-0.4	11452
0.4-0.5	5692
0.5-0.6	4237
0.6-0.7	5551
0.7-0.8	4053
0.8-0.85	2162
0.85-0.9	1255
0.9-0.95	418
0.95-1	85

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC152042
1.0	High Similarity	NPC241838
0.9925	High Similarity	NPC230285
0.9925	High Similarity	NPC184536
0.9925	High Similarity	NPC146679
0.9925	High Similarity	NPC59951
0.9925	High Similarity	NPC103342
0.9925	High Similarity	NPC281207
0.9925	High Similarity	NPC269652
0.9925	High Similarity	NPC103904
0.9852	High Similarity	NPC136840
0.9852	High Similarity	NPC90582
0.9852	High Similarity	NPC262094
0.9776	High Similarity	NPC276905
0.9774	High Similarity	NPC187432
0.9774	High Similarity	NPC127447
0.9774	High Similarity	NPC47815
0.9774	High Similarity	NPC473887
0.9774	High Similarity	NPC256042
0.9774	High Similarity	NPC216361
0.9774	High Similarity	NPC281917
0.9774	High Similarity	NPC124784
0.9774	High Similarity	NPC231772
0.9774	High Similarity	NPC29353
0.9774	High Similarity	NPC234133
0.9774	High Similarity	NPC194281
0.9774	High Similarity	NPC116775
0.9708	High Similarity	NPC470216
0.9701	High Similarity	NPC266597
0.9701	High Similarity	NPC299379
0.9701	High Similarity	NPC250266
0.9638	High Similarity	NPC273538
0.9638	High Similarity	NPC216538
0.9635	High Similarity	NPC473042
0.9635	High Similarity	NPC200694
0.9627	High Similarity	NPC13408
0.9624	High Similarity	NPC248872
0.9568	High Similarity	NPC5820
0.9568	High Similarity	NPC124729
0.9568	High Similarity	NPC178343
0.9568	High Similarity	NPC306488
0.9565	High Similarity	NPC9117
0.9565	High Similarity	NPC190637
0.9565	High Similarity	NPC24821
0.9565	High Similarity	NPC158874
0.9565	High Similarity	NPC293053
0.9565	High Similarity	NPC212932
0.9559	High Similarity	NPC18260
0.9559	High Similarity	NPC78913
0.9549	High Similarity	NPC274121
0.9549	High Similarity	NPC50898
0.9549	High Similarity	NPC78540
0.9549	High Similarity	NPC213216
0.9496	High Similarity	NPC326500
0.9489	High Similarity	NPC241100
0.9489	High Similarity	NPC159275
0.9485	High Similarity	NPC99333
0.9485	High Similarity	NPC188947
0.9485	High Similarity	NPC280284
0.9485	High Similarity	NPC201395
0.9481	High Similarity	NPC61546
0.9481	High Similarity	NPC72452
0.9478	High Similarity	NPC172262
0.9474	High Similarity	NPC128216
0.9433	High Similarity	NPC244407
0.9433	High Similarity	NPC296869
0.9429	High Similarity	NPC470458
0.9429	High Similarity	NPC153758
0.942	High Similarity	NPC110969
0.942	High Similarity	NPC282300
0.9416	High Similarity	NPC303633
0.9416	High Similarity	NPC217186
0.9416	High Similarity	NPC274784
0.9416	High Similarity	NPC150648
0.9416	High Similarity	NPC96565
0.9416	High Similarity	NPC329203
0.9416	High Similarity	NPC222342
0.9416	High Similarity	NPC220062
0.9416	High Similarity	NPC53181
0.9416	High Similarity	NPC55018
0.9416	High Similarity	NPC216978
0.9416	High Similarity	NPC310135
0.9416	High Similarity	NPC265871
0.9416	High Similarity	NPC225153
0.9416	High Similarity	NPC301217
0.9416	High Similarity	NPC20709
0.9412	High Similarity	NPC228661
0.9412	High Similarity	NPC290291
0.9412	High Similarity	NPC275055
0.9412	High Similarity	NPC188879
0.9403	High Similarity	NPC57601
0.9398	High Similarity	NPC113006
0.9398	High Similarity	NPC475589
0.9398	High Similarity	NPC278556
0.9398	High Similarity	NPC31872
0.9398	High Similarity	NPC473584
0.9366	High Similarity	NPC470461
0.9366	High Similarity	NPC159103
0.9366	High Similarity	NPC270465
0.9366	High Similarity	NPC87125
0.9362	High Similarity	NPC259632
0.9362	High Similarity	NPC176869
0.9362	High Similarity	NPC44721
0.9362	High Similarity	NPC40086
0.9362	High Similarity	NPC122828
0.9362	High Similarity	NPC476182
0.9362	High Similarity	NPC14001
0.9362	High Similarity	NPC3779
0.9362	High Similarity	NPC166757
0.9362	High Similarity	NPC472918
0.9362	High Similarity	NPC211466
0.9357	High Similarity	NPC71210
0.9353	High Similarity	NPC11561
0.9353	High Similarity	NPC226636
0.9348	High Similarity	NPC188243
0.9348	High Similarity	NPC270883
0.9348	High Similarity	NPC172986
0.9348	High Similarity	NPC284550
0.9348	High Similarity	NPC76445
0.9348	High Similarity	NPC110228
0.9348	High Similarity	NPC261227
0.9348	High Similarity	NPC6407
0.9348	High Similarity	NPC129853
0.9348	High Similarity	NPC150522
0.9343	High Similarity	NPC124269
0.9343	High Similarity	NPC118813
0.9338	High Similarity	NPC121243
0.9338	High Similarity	NPC240147
0.9338	High Similarity	NPC240593
0.9328	High Similarity	NPC257756
0.9328	High Similarity	NPC212631
0.9328	High Similarity	NPC473655
0.9328	High Similarity	NPC10971
0.9328	High Similarity	NPC205468
0.9328	High Similarity	NPC25937
0.9328	High Similarity	NPC129132
0.9328	High Similarity	NPC87231
0.9328	High Similarity	NPC101294
0.9323	High Similarity	NPC5515
0.9323	High Similarity	NPC270369
0.9323	High Similarity	NPC137264
0.9301	High Similarity	NPC188871
0.9301	High Similarity	NPC61258
0.9301	High Similarity	NPC166753
0.9301	High Similarity	NPC50728
0.9301	High Similarity	NPC149127
0.9301	High Similarity	NPC286342
0.9296	High Similarity	NPC470460
0.9291	High Similarity	NPC229190
0.9291	High Similarity	NPC220418
0.9286	High Similarity	NPC113770
0.9281	High Similarity	NPC324386
0.9281	High Similarity	NPC4743
0.9281	High Similarity	NPC147688
0.9281	High Similarity	NPC64908
0.9281	High Similarity	NPC3188
0.9281	High Similarity	NPC213322
0.9281	High Similarity	NPC103362
0.9281	High Similarity	NPC205006
0.9281	High Similarity	NPC156590
0.9281	High Similarity	NPC118840
0.9281	High Similarity	NPC312391
0.9275	High Similarity	NPC140890
0.9275	High Similarity	NPC261234
0.927	High Similarity	NPC294409
0.927	High Similarity	NPC243083
0.927	High Similarity	NPC287246
0.927	High Similarity	NPC7013
0.927	High Similarity	NPC254841
0.927	High Similarity	NPC181124
0.927	High Similarity	NPC116632
0.927	High Similarity	NPC79943
0.927	High Similarity	NPC303644
0.927	High Similarity	NPC209560
0.927	High Similarity	NPC12296
0.927	High Similarity	NPC296490
0.927	High Similarity	NPC32441
0.927	High Similarity	NPC162680
0.927	High Similarity	NPC295261
0.927	High Similarity	NPC13768
0.927	High Similarity	NPC107586
0.9265	High Similarity	NPC9985
0.9265	High Similarity	NPC239495
0.9259	High Similarity	NPC242294
0.9259	High Similarity	NPC144051
0.9259	High Similarity	NPC82225
0.9259	High Similarity	NPC175098
0.9259	High Similarity	NPC56031
0.9259	High Similarity	NPC18877
0.9259	High Similarity	NPC263670
0.9259	High Similarity	NPC192304
0.9259	High Similarity	NPC188646
0.9259	High Similarity	NPC139813
0.9259	High Similarity	NPC294593
0.9259	High Similarity	NPC337373
0.9259	High Similarity	NPC159623
0.9259	High Similarity	NPC28753
0.9259	High Similarity	NPC312318
0.9259	High Similarity	NPC204960
0.9259	High Similarity	NPC223457

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 NPC143799 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	455
0.1-0.2	982
0.2-0.3	1787
0.3-0.4	2715
0.4-0.5	1739
0.5-0.6	1000
0.6-0.7	322
0.7-0.8	96
0.8-0.85	33
0.85-0.9	15
0.9-0.95	4
0.95-1	2

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9638	High Similarity	NPD4378	Clinical (unspecified phase)
0.927	High Similarity	NPD1550	Clinical (unspecified phase)
0.927	High Similarity	NPD1552	Clinical (unspecified phase)
0.9203	High Similarity	NPD1549	Phase 2
0.9155	High Similarity	NPD1512	Approved
0.9124	High Similarity	NPD1510	Phase 2
0.9111	High Similarity	NPD1240	Approved
0.9014	High Similarity	NPD1511	Approved
0.8978	High Similarity	NPD1607	Approved
0.8951	High Similarity	NPD7410	Clinical (unspecified phase)
0.8921	High Similarity	NPD2796	Approved
0.8881	High Similarity	NPD6799	Approved
0.8851	High Similarity	NPD2801	Approved
0.8784	High Similarity	NPD1934	Approved
0.8725	High Similarity	NPD2393	Clinical (unspecified phase)
0.8675	High Similarity	NPD7075	Discontinued
0.8667	High Similarity	NPD3817	Phase 2
0.8658	High Similarity	NPD6801	Discontinued
0.8649	High Similarity	NPD4380	Phase 2
0.8609	High Similarity	NPD3882	Suspended
0.86	High Similarity	NPD7096	Clinical (unspecified phase)
0.8591	High Similarity	NPD7411	Suspended
0.8553	High Similarity	NPD4381	Clinical (unspecified phase)
0.8543	High Similarity	NPD8443	Clinical (unspecified phase)
0.8542	High Similarity	NPD3750	Approved
0.8531	High Similarity	NPD970	Clinical (unspecified phase)
0.8523	High Similarity	NPD6599	Discontinued
0.8462	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8462	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8462	Intermediate Similarity	NPD6166	Phase 2
0.8446	Intermediate Similarity	NPD5403	Approved
0.8435	Intermediate Similarity	NPD5401	Approved
0.8418	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8417	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.8392	Intermediate Similarity	NPD1551	Phase 2
0.8355	Intermediate Similarity	NPD7819	Suspended
0.8345	Intermediate Similarity	NPD2800	Approved
0.8313	Intermediate Similarity	NPD6797	Phase 2
0.8261	Intermediate Similarity	NPD7251	Discontinued
0.8219	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.821	Intermediate Similarity	NPD7808	Phase 3
0.8194	Intermediate Similarity	NPD3749	Approved
0.8194	Intermediate Similarity	NPD3748	Approved
0.8188	Intermediate Similarity	NPD1203	Approved
0.8187	Intermediate Similarity	NPD7054	Approved
0.8182	Intermediate Similarity	NPD5402	Approved
0.8163	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8153	Intermediate Similarity	NPD6959	Discontinued
0.8137	Intermediate Similarity	NPD7472	Approved
0.8134	Intermediate Similarity	NPD1548	Phase 1
0.8129	Intermediate Similarity	NPD7768	Phase 2
0.8125	Intermediate Similarity	NPD3818	Discontinued
0.8113	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8098	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.8095	Intermediate Similarity	NPD1243	Approved
0.8082	Intermediate Similarity	NPD2344	Approved
0.8079	Intermediate Similarity	NPD920	Approved
0.8056	Intermediate Similarity	NPD6651	Approved
0.8029	Intermediate Similarity	NPD422	Phase 1
0.8028	Intermediate Similarity	NPD2313	Discontinued
0.8025	Intermediate Similarity	NPD7074	Phase 3
0.8014	Intermediate Similarity	NPD2935	Discontinued
0.7971	Intermediate Similarity	NPD9717	Approved
0.7947	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7933	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7902	Intermediate Similarity	NPD3268	Approved
0.7899	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7898	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7887	Intermediate Similarity	NPD6832	Phase 2
0.7879	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7875	Intermediate Similarity	NPD6232	Discontinued
0.7867	Intermediate Similarity	NPD2309	Approved
0.7862	Intermediate Similarity	NPD5494	Approved
0.7857	Intermediate Similarity	NPD3225	Approved
0.7853	Intermediate Similarity	NPD7286	Phase 2
0.784	Intermediate Similarity	NPD7473	Discontinued
0.7829	Intermediate Similarity	NPD2533	Approved
0.7829	Intermediate Similarity	NPD2532	Approved
0.7829	Intermediate Similarity	NPD2534	Approved
0.7823	Intermediate Similarity	NPD2799	Discontinued
0.7823	Intermediate Similarity	NPD7033	Discontinued
0.7812	Intermediate Similarity	NPD1247	Approved
0.7801	Intermediate Similarity	NPD2797	Approved
0.7799	Intermediate Similarity	NPD919	Approved
0.7793	Intermediate Similarity	NPD943	Approved
0.777	Intermediate Similarity	NPD1610	Phase 2
0.777	Intermediate Similarity	NPD6099	Approved
0.777	Intermediate Similarity	NPD6100	Approved
0.7762	Intermediate Similarity	NPD4908	Phase 1
0.7758	Intermediate Similarity	NPD5953	Discontinued
0.7746	Intermediate Similarity	NPD2798	Approved
0.7742	Intermediate Similarity	NPD3226	Approved
0.7733	Intermediate Similarity	NPD2654	Approved
0.7716	Intermediate Similarity	NPD3926	Phase 2
0.7711	Intermediate Similarity	NPD6559	Discontinued
0.7703	Intermediate Similarity	NPD4308	Phase 3
0.7703	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7682	Intermediate Similarity	NPD4628	Phase 3
0.7676	Intermediate Similarity	NPD3266	Approved
0.7676	Intermediate Similarity	NPD3267	Approved
0.7655	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7651	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD1933	Approved
0.7619	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7609	Intermediate Similarity	NPD9545	Approved
0.76	Intermediate Similarity	NPD2346	Discontinued
0.7591	Intermediate Similarity	NPD9493	Approved
0.7584	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7547	Intermediate Similarity	NPD1465	Phase 2
0.7543	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7534	Intermediate Similarity	NPD1296	Phase 2
0.7534	Intermediate Similarity	NPD6798	Discontinued
0.7532	Intermediate Similarity	NPD7390	Discontinued
0.753	Intermediate Similarity	NPD5844	Phase 1
0.7529	Intermediate Similarity	NPD4360	Phase 2
0.7529	Intermediate Similarity	NPD4363	Phase 3
0.7517	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1019	Discontinued
0.75	Intermediate Similarity	NPD447	Suspended
0.75	Intermediate Similarity	NPD1241	Discontinued
0.75	Intermediate Similarity	NPD4288	Approved
0.75	Intermediate Similarity	NPD230	Phase 1
0.7483	Intermediate Similarity	NPD6233	Phase 2
0.747	Intermediate Similarity	NPD3751	Discontinued
0.7465	Intermediate Similarity	NPD1608	Approved
0.7465	Intermediate Similarity	NPD1481	Phase 2
0.7465	Intermediate Similarity	NPD3972	Approved
0.7455	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7451	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7448	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7432	Intermediate Similarity	NPD1613	Approved
0.7432	Intermediate Similarity	NPD4307	Phase 2
0.7432	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7421	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7415	Intermediate Similarity	NPD411	Approved
0.7403	Intermediate Similarity	NPD2354	Approved
0.7394	Intermediate Similarity	NPD1535	Discovery
0.7389	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD4361	Phase 2
0.7383	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7383	Intermediate Similarity	NPD5124	Phase 1
0.7368	Intermediate Similarity	NPD1471	Phase 3
0.7349	Intermediate Similarity	NPD2403	Approved
0.7333	Intermediate Similarity	NPD3787	Discontinued
0.7297	Intermediate Similarity	NPD3764	Approved
0.7284	Intermediate Similarity	NPD2296	Approved
0.7279	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD1729	Discontinued
0.7273	Intermediate Similarity	NPD1201	Approved
0.7273	Intermediate Similarity	NPD1652	Phase 2
0.7267	Intermediate Similarity	NPD6355	Discontinued
0.7267	Intermediate Similarity	NPD6844	Discontinued
0.7261	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD2353	Approved
0.7254	Intermediate Similarity	NPD17	Approved
0.7234	Intermediate Similarity	NPD1894	Discontinued
0.723	Intermediate Similarity	NPD4625	Phase 3
0.7229	Intermediate Similarity	NPD5710	Approved
0.7229	Intermediate Similarity	NPD5711	Approved
0.7216	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD4287	Approved
0.7197	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7193	Intermediate Similarity	NPD6104	Discontinued
0.7192	Intermediate Similarity	NPD1470	Approved
0.7186	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD3887	Approved
0.7172	Intermediate Similarity	NPD4749	Approved
0.7152	Intermediate Similarity	NPD4340	Discontinued
0.7143	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD7440	Discontinued
0.7133	Intermediate Similarity	NPD4062	Phase 3
0.7126	Intermediate Similarity	NPD7229	Phase 3
0.7123	Intermediate Similarity	NPD1876	Approved
0.7114	Intermediate Similarity	NPD3027	Phase 3
0.7107	Intermediate Similarity	NPD5049	Phase 3
0.7099	Intermediate Similarity	NPD5890	Approved
0.7099	Intermediate Similarity	NPD5889	Approved
0.7095	Intermediate Similarity	NPD2861	Phase 2
0.7091	Intermediate Similarity	NPD6971	Discontinued
0.7089	Intermediate Similarity	NPD7212	Phase 2
0.7089	Intermediate Similarity	NPD7213	Phase 3
0.7086	Intermediate Similarity	NPD3142	Approved
0.7086	Intermediate Similarity	NPD3140	Approved
0.7086	Intermediate Similarity	NPD8434	Phase 2
0.7081	Intermediate Similarity	NPD7584	Approved
0.7081	Intermediate Similarity	NPD7458	Discontinued
0.7075	Intermediate Similarity	NPD1164	Approved
0.707	Intermediate Similarity	NPD6190	Approved
0.7066	Intermediate Similarity	NPD7199	Phase 2
0.7059	Intermediate Similarity	NPD5940	Clinical (unspecified phase)
0.7044	Intermediate Similarity	NPD4661	Approved
0.7044	Intermediate Similarity	NPD4662	Approved
0.7044	Intermediate Similarity	NPD7447	Phase 1
0.7037	Intermediate Similarity	NPD6585	Discontinued
0.7033	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7007	Intermediate Similarity	NPD74	Approved
0.7007	Intermediate Similarity	NPD9266	Approved
0.7006	Intermediate Similarity	NPD7003	Approved

Bioactivity similarity: Similar Natural Products in NPASS

Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.

Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity

B: biological targets similarity

C: networks similarity

D: cell-based bioactivity similarity

E: similarity based on clinical data