NPASS Compound

Structure

Physi-Chem Properties

Molecular Weight:	486.26
Volume:	498.411
LogP:	1.653
LogD:	1.136
LogS:	-4.107
# Rotatable Bonds:	3
TPSA:	124.29
# H-Bond Aceptor:	7
# H-Bond Donor:	4
# Rings:	5
# Heavy Atoms:	7

MedChem Properties

QED Drug-Likeness Score:	0.452
Synthetic Accessibility Score:	5.427
Fsp3:	0.714
Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Accepted
GSK Rule:	Rejected
BMS Rule:	0
Golden Triangle Rule:	Accepted
Chelating Alert:	0
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-4.856
MDCK Permeability:	2.0138564650551416e-05
Pgp-inhibitor:	0.965
Pgp-substrate:	0.954
Human Intestinal Absorption (HIA):	0.227
20% Bioavailability (F20%):	0.036
30% Bioavailability (F30%):	0.15

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.923
Plasma Protein Binding (PPB):	74.1983413696289%
Volume Distribution (VD):	0.481
Pgp-substrate:	16.65049934387207%

ADMET: Metabolism

CYP1A2-inhibitor:	0.016
CYP1A2-substrate:	0.536
CYP2C19-inhibitor:	0.041
CYP2C19-substrate:	0.66
CYP2C9-inhibitor:	0.043
CYP2C9-substrate:	0.063
CYP2D6-inhibitor:	0.006
CYP2D6-substrate:	0.034
CYP3A4-inhibitor:	0.707
CYP3A4-substrate:	0.932

ADMET: Excretion

Clearance (CL):	3.02
Half-life (T1/2):	0.815

ADMET: Toxicity

hERG Blockers:	0.094
Human Hepatotoxicity (H-HT):	0.642
Drug-inuced Liver Injury (DILI):	0.034
AMES Toxicity:	0.012
Rat Oral Acute Toxicity:	0.253
Maximum Recommended Daily Dose:	0.949
Skin Sensitization:	0.924
Carcinogencity:	0.965
Eye Corrosion:	0.004
Eye Irritation:	0.017
Respiratory Toxicity:	0.968

Download Data

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

Natural Product: NPC107482

Natural Product ID:	NPC107482
*Common Name:**	5-Hydroxymethyl-Furfural
IUPAC Name:	5-(hydroxymethyl)furan-2-carbaldehyde
Synonyms:
Standard InCHIKey:	NOEGNKMFWQHSLB-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
SMILES:	OCc1ccc(o1)C=O
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL185885
PubChem CID:	237332
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0004603] Organic oxygen compounds [CHEMONTID:0000323] Organooxygen compounds [CHEMONTID:0001831] Carbonyl compounds [CHEMONTID:0000124] Aldehydes [CHEMONTID:0003213] Aryl-aldehydes

*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
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1002/hlca.19270100148]
NPO21072	Rhododendron dauricum	Species	Ericaceae	Eukaryota	n.a.	whole plant	n.a.	DOI[10.1007/BF02329610]
NPO21707	Trichosanthes kirilowii	Species	Cucurbitaceae	Eukaryota	n.a.	seed	n.a.	DOI[10.1016/S0031-9422(00)97029-8]
NPO15018.1	Dioscorea collettii var. hypoglauca	Varieties	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10075765]
NPO15077	Achyranthes bidentata	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11430011]
NPO3894	Dendrobium nobile	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11575955]
NPO28679	Prunus mume	Species	Rosaceae	Eukaryota	flowers	n.a.	n.a.	PMID[12193020]
NPO6541	Scrophularia buergeriana	Species	Scrophulariaceae	Eukaryota	roots	n.a.	n.a.	PMID[12444706]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	fruits	n.a.	n.a.	PMID[12467621]
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]
NPO25825	Saussurea lappa	Species	Asteraceae	Eukaryota	Roots	n.a.	n.a.	PMID[14510592]
NPO11694	Asparagus cochinchinensis	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[14987058]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	Petals	n.a.	n.a.	PMID[15043425]
NPO21072	Rhododendron dauricum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15270561]
NPO12181	Albizia julibrissin	Species	Fabaceae	Eukaryota	n.a.	bark	n.a.	PMID[15283458]
NPO11597	Stellaria dichotoma	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15387643]
NPO6583	Clematis chinensis	Species	Ranunculaceae	Eukaryota	roots	n.a.	n.a.	PMID[15387651]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	whole plant	n.a.	PMID[15577255]
NPO12181	Albizia julibrissin	Species	Fabaceae	Eukaryota	n.a.	stem	n.a.	PMID[15577257]
NPO7863	Dioscorea opposita	Species	Dioscoreaceae	Eukaryota	aerial parts	n.a.	n.a.	PMID[16124773]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	root	n.a.	PMID[16212233]
NPO11597	Stellaria dichotoma	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16309326]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16499335]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16562834]
NPO9935	Polygonatum sibiricum	Species	Asparagaceae	Eukaryota	rhizomes	Kangwon Province of Korea	2002-MAY	PMID[16562835]
NPO11872	Eleutherococcus senticosus	Species	Araliaceae	Eukaryota	n.a.	leaf	n.a.	PMID[17125224]
NPO3894	Dendrobium nobile	Species	Orchidaceae	Eukaryota	stems	Yunnan Province, China	2004	PMID[17253844]
NPO9771	Aka coralliphagum	Species	Niphatidae	Eukaryota	n.a.	San Salvador in the Bahamas (12-26 m depth)	2001-MAR; 2003-JUL	PMID[17309298]
NPO4044	Homalomena occulta	Species	Araceae	Eukaryota	n.a.	aerial part	n.a.	PMID[17511005]
NPO3894	Dendrobium nobile	Species	Orchidaceae	Eukaryota	Stems	purchased from Kyoungdong Oriental Herbal Market, Seoul, Korea	2006-APR	PMID[18052323]
NPO21707	Trichosanthes kirilowii	Species	Cucurbitaceae	Eukaryota	seeds	n.a.	n.a.	PMID[18603435]
NPO4044	Homalomena occulta	Species	Araceae	Eukaryota	n.a.	rhizome	n.a.	PMID[18649899]
NPO2188	Dendrobium candidum	Species	Orchidaceae	Eukaryota	n.a.	stem	n.a.	PMID[19182417]
NPO26741	Anemarrhena asphodeloides	Species	Asparagaceae	Eukaryota	rhizomes	n.a.	n.a.	PMID[19757853]
NPO9261	Ophiopogon japonicus	Species	Asparagaceae	Eukaryota	roots	n.a.	n.a.	PMID[20346658]
NPO21707	Trichosanthes kirilowii	Species	Cucurbitaceae	Eukaryota	Seeds	n.a.	n.a.	PMID[20469887]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20476749]
NPO19963	Curculigo orchioides	Species	Hypoxidaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20524638]
NPO6583	Clematis chinensis	Species	Ranunculaceae	Eukaryota	roots and rhizomes	Shaoguan, Guangdong Province, China	2007-Dec	PMID[20540535]
NPO1103	Dioscorea japonica	Species	Dioscoreaceae	Eukaryota	rhizomes	n.a.	n.a.	PMID[21353549]
NPO26741	Anemarrhena asphodeloides	Species	Asparagaceae	Eukaryota	n.a.	rhizome	n.a.	PMID[21370894]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	n.a.	rhizome	n.a.	PMID[21563811]
NPO5681	Acorus gramineus	Species	Acoraceae	Eukaryota	Rhizomes	n.a.	n.a.	PMID[21936523]
NPO5681	Acorus gramineus	Species	Acoraceae	Eukaryota	n.a.	rhizome	n.a.	PMID[21936523]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22060189]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22537213]
NPO4044	Homalomena occulta	Species	Araceae	Eukaryota	n.a.	rhizome	n.a.	PMID[22573367]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	rhizomes	n.a.	n.a.	PMID[22671987]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	n.a.	flower	n.a.	PMID[22723874]
NPO8101	Rehmannia glutinosa	Species	Orobanchaceae	Eukaryota	Roots	n.a.	n.a.	PMID[22916954]
NPO5681	Acorus gramineus	Species	Acoraceae	Eukaryota	rhizomes	n.a.	n.a.	PMID[22951040]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	root bark	n.a.	n.a.	PMID[23282106]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23371463]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23373216]
NPO9261	Ophiopogon japonicus	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23439553]
NPO11402	Tithonia rotundifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23501116]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	rhizome	n.a.	PMID[23713285]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	fruit	n.a.	PMID[24155209]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24338885]
NPO28679	Prunus mume	Species	Rosaceae	Eukaryota	fruits	n.a.	n.a.	PMID[24485782]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	Flowers	Lasa, China	n.a.	PMID[24621197]
NPO24833	Dioscorea polystachya	Species	Dioscoreaceae	Eukaryota	n.a.	bark	n.a.	PMID[24689699]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24959987]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25302569]
NPO23332	Dendrobium fimbriatum	Species	Orchidaceae	Eukaryota	stems	n.a.	n.a.	PMID[25316316]
NPO5986.2	Ziziphus jujuba var. spinosa	Varieties	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25767684]
NPO2494	Xanthium strumarium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26081757]
NPO5986.2	Ziziphus jujuba var. spinosa	Varieties	Rhamnaceae	Eukaryota	n.a.	seed	n.a.	PMID[26281588]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	rhizomes	n.a.	n.a.	PMID[26296476]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26305406]
NPO16850	Eucommia ulmoides	Species	Eucommiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26767291]
NPO16850	Eucommia ulmoides	Species	Eucommiaceae	Eukaryota	n.a.	bark	n.a.	PMID[26767291]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	Root Bark	n.a.	n.a.	PMID[26982999]
NPO2494	Xanthium strumarium	Species	Asteraceae	Eukaryota	n.a.	aerial part	n.a.	PMID[27169184]
NPO3894	Dendrobium nobile	Species	Orchidaceae	Eukaryota	Stems	n.a.	n.a.	PMID[27310249]
NPO11872	Eleutherococcus senticosus	Species	Araliaceae	Eukaryota	leaves	n.a.	n.a.	PMID[27400231]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27748595]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	Rhizomes	n.a.	n.a.	PMID[29116780]
NPO12588	Cornus officinalis	Species	Cornaceae	Eukaryota	Fruits	n.a.	n.a.	PMID[29140705]
NPO18676	Clerodendrum trichotomum	Species	Lamiaceae	Eukaryota	Roots	n.a.	n.a.	PMID[29924604]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30188125]
NPO865	Dendrobium loddigesii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31291099]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31397570]
NPO4554	Isatis tinctoria	Species	Brassicaceae	Eukaryota	Roots	n.a.	n.a.	PMID[32004936]
NPO26277	Euphorbia hirta	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32141299]
NPO25825	Saussurea lappa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[3572418]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	rhizome	n.a.	PMID[7714541]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7760071]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	rhizome	n.a.	PMID[7798964]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7964801]
NPO26741	Anemarrhena asphodeloides	Species	Asparagaceae	Eukaryota	Rhizomes	n.a.	n.a.	PMID[8482946]
NPO12181	Albizia julibrissin	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[9051910]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	fruits	n.a.	n.a.	PMID[9090870]
NPO9261	Ophiopogon japonicus	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[Article]
NPO9261	Ophiopogon japonicus	Species	Asparagaceae	Eukaryota	n.a.	tuber	n.a.	Database[Article]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	Bud	n.a.	n.a.	Database[FooDB]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	Flower	n.a.	n.a.	Database[FooDB]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	Oil	n.a.	n.a.	Database[FooDB]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	Silk Stigma Style	n.a.	n.a.	Database[FooDB]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21707	Trichosanthes kirilowii	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22160	Polygonatum cyrtonema	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5681	Acorus gramineus	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO67	Fructus mori	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[HerDing]
NPO6583	Clematis chinensis	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26277	Euphorbia hirta	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4802	Scrophularia ningpoensis	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14650	Lobelia chinensis	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8101	Rehmannia glutinosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO12584	Atractylodes chinensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO9261	Ophiopogon japonicus	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14123	Achyranthes fauriei	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20900	Dendrobium chrysotoxum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26741	Anemarrhena asphodeloides	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28301	Clerodendron cyrtophyllum	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[HerDing]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28679	Prunus mume	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO12588	Cornus officinalis	Species	Cornaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4554	Isatis tinctoria	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO9935	Polygonatum sibiricum	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO6541	Scrophularia buergeriana	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO3894	Dendrobium nobile	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5986.2	Ziziphus jujuba var. spinosa	Varieties	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO6272	Chamaecyparis pisifera	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO27645	Fructus galangae	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[HerDing]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO1103	Dioscorea japonica	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11694	Asparagus cochinchinensis	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21072	Rhododendron dauricum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23674	Jatropha curcas	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO16741	Codonopsis pilosula	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15077	Achyranthes bidentata	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19963	Curculigo orchioides	Species	Hypoxidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4702	Trichosanthes rosthornii	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO865	Dendrobium loddigesii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO10256	Liquidambar orientalis	Species	Altingiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO16850	Eucommia ulmoides	Species	Eucommiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO24390	Juniperus rigida	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO6541	Scrophularia buergeriana	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11872	Eleutherococcus senticosus	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28679	Prunus mume	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO67	Fructus mori	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO9261	Ophiopogon japonicus	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5275	Liriope muscari	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1103	Dioscorea japonica	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26277	Euphorbia hirta	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11694	Asparagus cochinchinensis	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12407	Herba cichorii	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5681	Acorus gramineus	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23674	Jatropha curcas	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4802	Scrophularia ningpoensis	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24390	Juniperus rigida	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25825	Saussurea lappa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26294	Rhizoma dioscoreae hypoglaucae	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO27645	Fructus galangae	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO4554	Isatis tinctoria	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12584	Atractylodes chinensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9935	Polygonatum sibiricum	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6272	Chamaecyparis pisifera	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12588	Cornus officinalis	Species	Cornaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10256	Liquidambar orientalis	Species	Altingiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15077	Achyranthes bidentata	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO865	Dendrobium loddigesii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6826	Persicaria perfoliata	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3894	Dendrobium nobile	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6583	Clematis chinensis	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14650	Lobelia chinensis	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26741	Anemarrhena asphodeloides	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14123	Achyranthes fauriei	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29146	Polygonatum kingianum	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14959.1	Codonopsis pilosula subsp. tangshen	Subspecies	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20900	Dendrobium chrysotoxum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29031	Rhizoma acori graminei	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO15018.1	Dioscorea collettii var. hypoglauca	Varieties	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16741	Codonopsis pilosula	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24833	Dioscorea polystachya	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21072	Rhododendron dauricum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9655	Radix adenophorae	Species	Lymnaeidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22587	Herba serissae	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO19963	Curculigo orchioides	Species	Hypoxidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5986.2	Ziziphus jujuba var. spinosa	Varieties	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12181	Albizia julibrissin	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18676	Clerodendrum trichotomum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28301	Clerodendron cyrtophyllum	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO22160	Polygonatum cyrtonema	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4702	Trichosanthes rosthornii	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO78	Rhizoma homalomenae occultae	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO8101	Rehmannia glutinosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11889	Dendrobium chrysanthum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21707	Trichosanthes kirilowii	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16850	Eucommia ulmoides	Species	Eucommiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12588	Cornus officinalis	Species	Cornaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO4802	Scrophularia ningpoensis	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO22160	Polygonatum cyrtonema	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO865	Dendrobium loddigesii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO8101	Rehmannia glutinosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO4044	Homalomena occulta	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO11597	Stellaria dichotoma	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7863	Dioscorea opposita	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO10256	Liquidambar orientalis	Species	Altingiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO29146	Polygonatum kingianum	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO24390	Juniperus rigida	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO26741	Anemarrhena asphodeloides	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21072	Rhododendron dauricum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO28679	Prunus mume	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO6583	Clematis chinensis	Species	Ranunculaceae	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]
NPO6541	Scrophularia buergeriana	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO4702	Trichosanthes rosthornii	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO12584	Atractylodes chinensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO11694	Asparagus cochinchinensis	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO16741	Codonopsis pilosula	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO3894	Dendrobium nobile	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO15077	Achyranthes bidentata	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14650	Lobelia chinensis	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO19963	Curculigo orchioides	Species	Hypoxidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO16850	Eucommia ulmoides	Species	Eucommiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21707	Trichosanthes kirilowii	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9261	Ophiopogon japonicus	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO12181	Albizia julibrissin	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO3061	Alisma orientalis	Species	Alismataceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO11694	Asparagus cochinchinensis	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO11597	Stellaria dichotoma	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO20900	Dendrobium chrysotoxum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4702	Trichosanthes rosthornii	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO28679	Prunus mume	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO19963	Curculigo orchioides	Species	Hypoxidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO21072	Rhododendron dauricum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO5275	Liriope muscari	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO23332	Dendrobium fimbriatum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO5956	Polygonatum falcatum	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO5681	Acorus gramineus	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29146	Polygonatum kingianum	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO3894	Dendrobium nobile	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO2943	Sraitia grosvenorii	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4554	Isatis tinctoria	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO6583	Clematis chinensis	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO6541	Scrophularia buergeriana	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO9261	Ophiopogon japonicus	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO22160	Polygonatum cyrtonema	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO2494	Xanthium strumarium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4044	Homalomena occulta	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO2188	Dendrobium candidum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO11872	Eleutherococcus senticosus	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO1103	Dioscorea japonica	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO9935	Polygonatum sibiricum	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO1136	Ranunculus ternatus	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO21707	Trichosanthes kirilowii	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO26277	Euphorbia hirta	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO3061	Alisma orientalis	Species	Alismataceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO15077	Achyranthes bidentata	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO25825	Saussurea lappa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO11889	Dendrobium chrysanthum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO6826	Persicaria perfoliata	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO12584	Atractylodes chinensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO865	Dendrobium loddigesii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO14650	Lobelia chinensis	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4802	Scrophularia ningpoensis	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO19048	Pinellia ternata	Species	Araceae	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]
NPO14959.1	Codonopsis pilosula subsp. tangshen	Subspecies	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO13679	Trichosanthes bracteata	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO8101	Rehmannia glutinosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO12181	Albizia julibrissin	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO7863	Dioscorea opposita	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO12588	Cornus officinalis	Species	Cornaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO14123	Achyranthes fauriei	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO16850	Eucommia ulmoides	Species	Eucommiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO23189	Achyranthes japonica	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO10256	Liquidambar orientalis	Species	Altingiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO24833	Dioscorea polystachya	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO26741	Anemarrhena asphodeloides	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO16741	Codonopsis pilosula	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO20900	Dendrobium chrysotoxum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29295	Swertia cuneata	Species	Gentianaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24390	Juniperus rigida	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6541	Scrophularia buergeriana	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29333	Mentzelia arborescens	Species	Loasaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14310	Tecoma heptaphylla	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14637	Saussurea cordifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2494	Xanthium strumarium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10256	Liquidambar orientalis	Species	Altingiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23332	Dendrobium fimbriatum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5275	Liriope muscari	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26944	Lygodium reticulatum	Species	Lygodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6826	Persicaria perfoliata	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12584	Atractylodes chinensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29511	Forficula auricularia	Species	Forficulidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15018.1	Dioscorea collettii var. hypoglauca	Varieties	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14959.1	Codonopsis pilosula subsp. tangshen	Subspecies	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9261	Ophiopogon japonicus	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12181	Albizia julibrissin	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25825	Saussurea lappa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6272	Chamaecyparis pisifera	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21072	Rhododendron dauricum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11402	Tithonia rotundifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2188	Dendrobium candidum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13119	Hymenoxys microcephala	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1103	Dioscorea japonica	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2684	Cortinarius vinosipes	Species	Cortinariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26741	Anemarrhena asphodeloides	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4044	Homalomena occulta	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22160	Polygonatum cyrtonema	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28679	Prunus mume	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11597	Stellaria dichotoma	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1136	Ranunculus ternatus	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23674	Jatropha curcas	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16850	Eucommia ulmoides	Species	Eucommiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29346	Cronquistia pringlei	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8101	Rehmannia glutinosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4554	Isatis tinctoria	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11872	Eleutherococcus senticosus	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29159	Aconitum bullatifolium	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4702	Trichosanthes rosthornii	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11694	Asparagus cochinchinensis	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19963	Curculigo orchioides	Species	Hypoxidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23628	Imperata cylindrica	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4802	Scrophularia ningpoensis	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29457	Chondria oppositiclada	Species	Endomychidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29146	Polygonatum kingianum	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24833	Dioscorea polystachya	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11889	Dendrobium chrysanthum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16741	Codonopsis pilosula	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3894	Dendrobium nobile	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15077	Achyranthes bidentata	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9935	Polygonatum sibiricum	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4385	Aconitum zuccarini	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO865	Dendrobium loddigesii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14650	Lobelia chinensis	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11758	Parmelia pokornyi	Species	Parmeliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9771	Aka coralliphagum	Species	Niphatidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26277	Euphorbia hirta	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18676	Clerodendrum trichotomum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6583	Clematis chinensis	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12588	Cornus officinalis	Species	Cornaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7863	Dioscorea opposita	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14222	Schefflera divaricata	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18311	Carthamus tinctorius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11166	Sclerodoris tanya	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO5956	Polygonatum falcatum	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]

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

NP Quantity Composition/Concentration

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

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

Biological Activity

Activity Type	# Activity
EC50	6
IC50	2
MIC	3
Others	15
Potency	12

Activity Type	# Activity
Cell Line	3
Individual Protein	6
Organism	18
Others	9
SINGLE PROTEIN	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT521	Cell Line	RBL-2H3	Rattus norvegicus	Inhibition	=	3.4	%	PMID[559269]
NPT210	Individual Protein	Thyroid stimulating hormone receptor	Homo sapiens	Potency	=	7943.3	nM	PMID[559270]
NPT347	Cell Line	Lymphoblastoid cells	Homo sapiens	Potency	=	39810.7	nM	PMID[559270]
NPT249	Individual Protein	Glucocorticoid receptor	Homo sapiens	Potency	n.a.	3981.1	nM	PMID[559270]
NPT103	Individual Protein	Nuclear receptor ROR-gamma	Homo sapiens	Potency	n.a.	33491.5	nM	PMID[559270]
NPT461	Cell Line	PANC-1	Homo sapiens	IC50	>	100000.0	nM	PMID[559277]
NPT2	Others	Unspecified		Potency	n.a.	5510.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	24336.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	4911.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	21689.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	195	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	54482.7	nM	PubChem BioAssay data set
NPT27	Others	Unspecified		Inhibition	=	13.0	%	PMID[559268]
NPT27	Others	Unspecified		Inhibition	=	42.0	%	PMID[559268]
NPT27	Others	Unspecified		Inhibition	=	90.0	%	PMID[559268]
NPT94	Individual Protein	Aldehyde dehydrogenase 1A1	Homo sapiens	Potency	=	39810.7	nM	PMID[559270]
NPT450	Organism	Meloidogyne incognita	Meloidogyne incognita	EC50	=	45.7	ug.mL-1	PMID[559271]
NPT450	Organism	Meloidogyne incognita	Meloidogyne incognita	EC50	>	100.0	ug.mL-1	PMID[559271]
NPT450	Organism	Meloidogyne incognita	Meloidogyne incognita	EC50	=	45.7	ug.mL-1	PMID[559272]
NPT450	Organism	Meloidogyne incognita	Meloidogyne incognita	EC50	=	8.5	ug.mL-1	PMID[559272]
NPT449	Organism	Meloidogyne javanica	Meloidogyne javanica	EC50	>	25.0	ug.mL-1	PMID[559273]
NPT68	Individual Protein	Aldose reductase	Rattus norvegicus	IC50	=	181970.09	nM	PMID[559274]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	400.0	ug.mL-1	PMID[559275]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	200.0	ug.mL-1	PMID[559275]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	100.0	ug.mL-1	PMID[559275]
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	IZ	=	8.1	mm	PMID[559275]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	9.0	mm	PMID[559275]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	13.1	mm	PMID[559275]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	=	11.5	mm	PMID[559275]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	9.5	%	PMID[559278]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	3.34	%	PMID[559279]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	6.322	%	PMID[559280]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.06	%	PMID[559281]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.14	%	PMID[559282]

☑ 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 NPC107482 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	355
0.1-0.2	3085
0.2-0.3	9309
0.3-0.4	10463
0.4-0.5	6089
0.5-0.6	9488
0.6-0.7	3791
0.7-0.8	104
0.8-0.85	6
0.85-0.9	1
0.9-0.95	4
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9469	High Similarity	NPC244293
0.9266	High Similarity	NPC209111
0.9204	High Similarity	NPC328451
0.9107	High Similarity	NPC311987
0.906	High Similarity	NPC272487
0.8909	High Similarity	NPC219969
0.8624	High Similarity	NPC217226
0.8482	Intermediate Similarity	NPC298087
0.8348	Intermediate Similarity	NPC229387
0.8198	Intermediate Similarity	NPC156768
0.8	Intermediate Similarity	NPC146316
0.7934	Intermediate Similarity	NPC474987
0.7874	Intermediate Similarity	NPC52035
0.7845	Intermediate Similarity	NPC42471
0.7805	Intermediate Similarity	NPC187547
0.7805	Intermediate Similarity	NPC21831
0.7687	Intermediate Similarity	NPC303217
0.7661	Intermediate Similarity	NPC254958
0.7661	Intermediate Similarity	NPC291619
0.7658	Intermediate Similarity	NPC233791
0.7518	Intermediate Similarity	NPC107571
0.75	Intermediate Similarity	NPC177331
0.748	Intermediate Similarity	NPC292036
0.7442	Intermediate Similarity	NPC118853
0.7376	Intermediate Similarity	NPC261733
0.7376	Intermediate Similarity	NPC307346
0.7376	Intermediate Similarity	NPC267004
0.7376	Intermediate Similarity	NPC218712
0.7372	Intermediate Similarity	NPC473268
0.7361	Intermediate Similarity	NPC2063
0.736	Intermediate Similarity	NPC476031
0.736	Intermediate Similarity	NPC476014
0.7329	Intermediate Similarity	NPC471613
0.728	Intermediate Similarity	NPC11821
0.728	Intermediate Similarity	NPC205523
0.7273	Intermediate Similarity	NPC471554
0.7273	Intermediate Similarity	NPC471573
0.7273	Intermediate Similarity	NPC474830
0.7273	Intermediate Similarity	NPC471501
0.7273	Intermediate Similarity	NPC473355
0.7259	Intermediate Similarity	NPC97740
0.7259	Intermediate Similarity	NPC473982
0.7252	Intermediate Similarity	NPC474829
0.7222	Intermediate Similarity	NPC76844
0.7214	Intermediate Similarity	NPC148374
0.7211	Intermediate Similarity	NPC474378
0.7211	Intermediate Similarity	NPC474219
0.7209	Intermediate Similarity	NPC474136
0.7185	Intermediate Similarity	NPC17681
0.7177	Intermediate Similarity	NPC26157
0.7177	Intermediate Similarity	NPC1811
0.7165	Intermediate Similarity	NPC217180
0.7165	Intermediate Similarity	NPC312525
0.7164	Intermediate Similarity	NPC50583
0.7154	Intermediate Similarity	NPC270807
0.7154	Intermediate Similarity	NPC283284
0.7154	Intermediate Similarity	NPC289911
0.7154	Intermediate Similarity	NPC471549
0.7154	Intermediate Similarity	NPC174915
0.7154	Intermediate Similarity	NPC473379
0.7153	Intermediate Similarity	NPC106247
0.7143	Intermediate Similarity	NPC184391
0.7132	Intermediate Similarity	NPC473344
0.7132	Intermediate Similarity	NPC104854
0.7132	Intermediate Similarity	NPC471545
0.7132	Intermediate Similarity	NPC45358
0.7132	Intermediate Similarity	NPC471544
0.7132	Intermediate Similarity	NPC474817
0.7123	Intermediate Similarity	NPC280025
0.7121	Intermediate Similarity	NPC471559
0.7109	Intermediate Similarity	NPC206007
0.7099	Intermediate Similarity	NPC475818
0.7099	Intermediate Similarity	NPC291189
0.7099	Intermediate Similarity	NPC476351
0.7099	Intermediate Similarity	NPC69403
0.7086	Intermediate Similarity	NPC476404
0.7086	Intermediate Similarity	NPC473282
0.7086	Intermediate Similarity	NPC104380
0.7086	Intermediate Similarity	NPC294300
0.7086	Intermediate Similarity	NPC317900
0.7086	Intermediate Similarity	NPC217602
0.7063	Intermediate Similarity	NPC252004
0.7063	Intermediate Similarity	NPC27220
0.7059	Intermediate Similarity	NPC298268
0.705	Intermediate Similarity	NPC212729
0.7039	Intermediate Similarity	NPC228501
0.7034	Intermediate Similarity	NPC132725
0.7029	Intermediate Similarity	NPC288209
0.7023	Intermediate Similarity	NPC263870
0.7	Intermediate Similarity	NPC215109
0.7	Intermediate Similarity	NPC170604
0.6992	Remote Similarity	NPC71274
0.6992	Remote Similarity	NPC75557
0.6992	Remote Similarity	NPC221798
0.6985	Remote Similarity	NPC939
0.6978	Remote Similarity	NPC14650
0.6974	Remote Similarity	NPC116639
0.6974	Remote Similarity	NPC472823
0.6968	Remote Similarity	NPC475779
0.6963	Remote Similarity	NPC474438
0.6963	Remote Similarity	NPC474279
0.6947	Remote Similarity	NPC79557
0.6944	Remote Similarity	NPC254198
0.6944	Remote Similarity	NPC110305
0.6944	Remote Similarity	NPC150023
0.694	Remote Similarity	NPC329922
0.694	Remote Similarity	NPC81912
0.694	Remote Similarity	NPC474260
0.694	Remote Similarity	NPC329694
0.6934	Remote Similarity	NPC477645
0.6929	Remote Similarity	NPC139519
0.6923	Remote Similarity	NPC137710
0.6905	Remote Similarity	NPC22678
0.6897	Remote Similarity	NPC137295
0.6889	Remote Similarity	NPC475236
0.6879	Remote Similarity	NPC294470
0.6875	Remote Similarity	NPC263337
0.687	Remote Similarity	NPC318429
0.6867	Remote Similarity	NPC121615
0.6867	Remote Similarity	NPC294511
0.6857	Remote Similarity	NPC144662
0.6855	Remote Similarity	NPC471521
0.6855	Remote Similarity	NPC473356
0.6853	Remote Similarity	NPC201370
0.6853	Remote Similarity	NPC90296
0.6853	Remote Similarity	NPC282973
0.6853	Remote Similarity	NPC473983
0.6849	Remote Similarity	NPC195920
0.6846	Remote Similarity	NPC228842
0.6838	Remote Similarity	NPC117237
0.6838	Remote Similarity	NPC203719
0.6838	Remote Similarity	NPC329707
0.6831	Remote Similarity	NPC472376
0.6825	Remote Similarity	NPC57879
0.6824	Remote Similarity	NPC469425
0.6821	Remote Similarity	NPC60211
0.6809	Remote Similarity	NPC204592
0.6803	Remote Similarity	NPC104924
0.6803	Remote Similarity	NPC475864
0.68	Remote Similarity	NPC116822
0.6795	Remote Similarity	NPC261184
0.6794	Remote Similarity	NPC67345
0.6794	Remote Similarity	NPC4898
0.6794	Remote Similarity	NPC61779
0.6794	Remote Similarity	NPC244862
0.6786	Remote Similarity	NPC200718
0.6783	Remote Similarity	NPC325625
0.6783	Remote Similarity	NPC287068
0.6783	Remote Similarity	NPC254841
0.6776	Remote Similarity	NPC84721
0.6774	Remote Similarity	NPC18986
0.6774	Remote Similarity	NPC472781
0.6774	Remote Similarity	NPC140688
0.6774	Remote Similarity	NPC472782
0.6769	Remote Similarity	NPC227660
0.6769	Remote Similarity	NPC208906
0.6769	Remote Similarity	NPC144745
0.6769	Remote Similarity	NPC131801
0.6765	Remote Similarity	NPC476016
0.6765	Remote Similarity	NPC137570
0.6765	Remote Similarity	NPC141059
0.6761	Remote Similarity	NPC163029
0.6757	Remote Similarity	NPC148011
0.6757	Remote Similarity	NPC1940
0.6755	Remote Similarity	NPC116604
0.6748	Remote Similarity	NPC17537
0.6744	Remote Similarity	NPC28054
0.6741	Remote Similarity	NPC471074
0.6741	Remote Similarity	NPC473885
0.6738	Remote Similarity	NPC265793
0.6736	Remote Similarity	NPC61157
0.6736	Remote Similarity	NPC218204
0.6736	Remote Similarity	NPC473681
0.6735	Remote Similarity	NPC469642
0.6733	Remote Similarity	NPC226578
0.6732	Remote Similarity	NPC268008
0.6731	Remote Similarity	NPC472780
0.6731	Remote Similarity	NPC472783
0.673	Remote Similarity	NPC186392
0.6714	Remote Similarity	NPC470859
0.6714	Remote Similarity	NPC474425
0.6714	Remote Similarity	NPC474426
0.6714	Remote Similarity	NPC474407
0.6713	Remote Similarity	NPC177262
0.6713	Remote Similarity	NPC130976
0.6712	Remote Similarity	NPC22248
0.6711	Remote Similarity	NPC474220
0.6711	Remote Similarity	NPC263676
0.6711	Remote Similarity	NPC471618
0.6711	Remote Similarity	NPC474255
0.671	Remote Similarity	NPC287559
0.6693	Remote Similarity	NPC105249
0.6692	Remote Similarity	NPC316062
0.6692	Remote Similarity	NPC115859
0.6692	Remote Similarity	NPC45536
0.6691	Remote Similarity	NPC83301
0.6691	Remote Similarity	NPC473626
0.669	Remote Similarity	NPC79908
0.669	Remote Similarity	NPC248795
0.6689	Remote Similarity	NPC326506

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 NPC107482 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	328
0.1-0.2	1359
0.2-0.3	2655
0.3-0.4	2723
0.4-0.5	1469
0.5-0.6	512
0.6-0.7	99
0.7-0.8	4
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD9092	Discovery
0.7462	Intermediate Similarity	NPD1049	Clinical (unspecified phase)
0.687	Remote Similarity	NPD9365	Approved
0.6838	Remote Similarity	NPD9494	Approved
0.6644	Remote Similarity	NPD4628	Phase 3
0.6622	Remote Similarity	NPD6799	Approved
0.6591	Remote Similarity	NPD9545	Approved
0.6581	Remote Similarity	NPD3882	Suspended
0.6575	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD1471	Phase 3
0.6522	Remote Similarity	NPD2163	Approved
0.6519	Remote Similarity	NPD1247	Approved
0.6504	Remote Similarity	NPD291	Approved
0.65	Remote Similarity	NPD4575	Clinical (unspecified phase)
0.649	Remote Similarity	NPD5403	Approved
0.6467	Remote Similarity	NPD5401	Approved
0.6462	Remote Similarity	NPD9069	Phase 1
0.6462	Remote Similarity	NPD1241	Discontinued
0.6443	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6438	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6438	Remote Similarity	NPD2344	Approved
0.6403	Remote Similarity	NPD5647	Approved
0.6395	Remote Similarity	NPD1549	Phase 2
0.6392	Remote Similarity	NPD919	Approved
0.6387	Remote Similarity	NPD6801	Discontinued
0.6376	Remote Similarity	NPD2354	Approved
0.637	Remote Similarity	NPD1551	Phase 2
0.6369	Remote Similarity	NPD8434	Phase 2
0.6364	Remote Similarity	NPD6599	Discontinued
0.6364	Remote Similarity	NPD6764	Approved
0.6364	Remote Similarity	NPD6765	Approved
0.6358	Remote Similarity	NPD642	Clinical (unspecified phase)
0.635	Remote Similarity	NPD9717	Approved
0.6346	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6329	Remote Similarity	NPD7075	Discontinued
0.6327	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6327	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6281	Remote Similarity	NPD9296	Approved
0.6277	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.627	Remote Similarity	NPD9501	Approved
0.6267	Remote Similarity	NPD2309	Approved
0.625	Remote Similarity	NPD9552	Approved
0.625	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.625	Remote Similarity	NPD290	Approved
0.625	Remote Similarity	NPD1240	Approved
0.6214	Remote Similarity	NPD1203	Approved
0.6213	Remote Similarity	NPD6785	Approved
0.6213	Remote Similarity	NPD6784	Approved
0.6209	Remote Similarity	NPD1512	Approved
0.6203	Remote Similarity	NPD5402	Approved
0.619	Remote Similarity	NPD1510	Phase 2
0.6169	Remote Similarity	NPD920	Approved
0.6165	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6164	Remote Similarity	NPD1607	Approved
0.6159	Remote Similarity	NPD3887	Approved
0.6154	Remote Similarity	NPD4380	Phase 2
0.6144	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6136	Remote Similarity	NPD769	Approved
0.6134	Remote Similarity	NPD9295	Approved
0.6125	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6115	Remote Similarity	NPD958	Approved
0.6115	Remote Similarity	NPD1608	Approved
0.6115	Remote Similarity	NPD7411	Suspended
0.6111	Remote Similarity	NPD6798	Discontinued
0.6107	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6107	Remote Similarity	NPD2353	Approved
0.6101	Remote Similarity	NPD3817	Phase 2
0.6096	Remote Similarity	NPD447	Suspended
0.6096	Remote Similarity	NPD6355	Discontinued
0.6087	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6078	Remote Similarity	NPD1511	Approved
0.6077	Remote Similarity	NPD2684	Approved
0.6076	Remote Similarity	NPD1934	Approved
0.6071	Remote Similarity	NPD6559	Discontinued
0.6069	Remote Similarity	NPD4062	Phase 3
0.6069	Remote Similarity	NPD6233	Phase 2
0.604	Remote Similarity	NPD2796	Approved
0.6031	Remote Similarity	NPD556	Approved
0.6028	Remote Similarity	NPD3225	Approved
0.6027	Remote Similarity	NPD3142	Approved
0.6027	Remote Similarity	NPD3140	Approved
0.6026	Remote Similarity	NPD1243	Approved
0.6024	Remote Similarity	NPD3818	Discontinued
0.6014	Remote Similarity	NPD1778	Approved
0.6	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6	Remote Similarity	NPD6166	Phase 2
0.6	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6	Remote Similarity	NPD1358	Approved
0.6	Remote Similarity	NPD3972	Approved
0.6	Remote Similarity	NPD3268	Approved
0.6	Remote Similarity	NPD411	Approved
0.5988	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.5986	Remote Similarity	NPD4340	Discontinued
0.5986	Remote Similarity	NPD230	Phase 1
0.5973	Remote Similarity	NPD7033	Discontinued
0.5957	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.5956	Remote Similarity	NPD9493	Approved
0.5944	Remote Similarity	NPD1019	Discontinued
0.5938	Remote Similarity	NPD5760	Phase 2
0.5938	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.5938	Remote Similarity	NPD5761	Phase 2
0.5938	Remote Similarity	NPD2801	Approved
0.5935	Remote Similarity	NPD4661	Approved
0.5935	Remote Similarity	NPD4662	Approved
0.5933	Remote Similarity	NPD5712	Approved
0.5933	Remote Similarity	NPD1501	Clinical (unspecified phase)
0.5929	Remote Similarity	NPD1091	Approved
0.5926	Remote Similarity	NPD3749	Approved
0.5924	Remote Similarity	NPD957	Approved
0.5923	Remote Similarity	NPD968	Approved
0.5917	Remote Similarity	NPD6797	Phase 2
0.5901	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.5899	Remote Similarity	NPD17	Approved
0.5897	Remote Similarity	NPD5049	Phase 3
0.5896	Remote Similarity	NPD7843	Approved
0.5893	Remote Similarity	NPD1212	Approved
0.5891	Remote Similarity	NPD1237	Approved
0.589	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.589	Remote Similarity	NPD2313	Discontinued
0.5886	Remote Similarity	NPD3226	Approved
0.5882	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.5882	Remote Similarity	NPD7251	Discontinued
0.5882	Remote Similarity	NPD3750	Approved
0.5871	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.587	Remote Similarity	NPD1894	Discontinued
0.5864	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.5862	Remote Similarity	NPD6832	Phase 2
0.5855	Remote Similarity	NPD5958	Discontinued
0.5848	Remote Similarity	NPD7808	Phase 3
0.5848	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.5846	Remote Similarity	NPD9697	Approved
0.5844	Remote Similarity	NPD6190	Approved
0.5843	Remote Similarity	NPD3926	Phase 2
0.5839	Remote Similarity	NPD6653	Approved
0.5833	Remote Similarity	NPD3751	Discontinued
0.5833	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.5824	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.5819	Remote Similarity	NPD4466	Phase 1
0.5804	Remote Similarity	NPD1876	Approved
0.5802	Remote Similarity	NPD3134	Approved
0.5802	Remote Similarity	NPD2296	Approved
0.5789	Remote Similarity	NPD5762	Approved
0.5789	Remote Similarity	NPD5763	Approved
0.5786	Remote Similarity	NPD2649	Approved
0.5786	Remote Similarity	NPD2651	Approved
0.5782	Remote Similarity	NPD3764	Approved
0.5779	Remote Similarity	NPD1562	Clinical (unspecified phase)
0.5775	Remote Similarity	NPD1481	Phase 2
0.5772	Remote Similarity	NPD1933	Approved
0.5766	Remote Similarity	NPD7157	Approved
0.5766	Remote Similarity	NPD191	Approved
0.5764	Remote Similarity	NPD3266	Approved
0.5764	Remote Similarity	NPD987	Approved
0.5764	Remote Similarity	NPD3267	Approved
0.5764	Remote Similarity	NPD2797	Approved
0.5764	Remote Similarity	NPD6362	Approved
0.5762	Remote Similarity	NPD4308	Phase 3
0.5762	Remote Similarity	NPD2799	Discontinued
0.5758	Remote Similarity	NPD9263	Approved
0.5758	Remote Similarity	NPD9264	Approved
0.5758	Remote Similarity	NPD9267	Approved
0.5752	Remote Similarity	NPD4534	Discontinued
0.5752	Remote Similarity	NPD2424	Discontinued
0.5752	Remote Similarity	NPD970	Clinical (unspecified phase)
0.5741	Remote Similarity	NPD7819	Suspended
0.5741	Remote Similarity	NPD1006	Clinical (unspecified phase)
0.5738	Remote Similarity	NPD3533	Approved
0.5738	Remote Similarity	NPD2972	Approved
0.5738	Remote Similarity	NPD3057	Approved
0.5732	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.5724	Remote Similarity	NPD2798	Approved
0.5714	Remote Similarity	NPD7095	Approved
0.5714	Remote Similarity	NPD2598	Clinical (unspecified phase)
0.5714	Remote Similarity	NPD2800	Approved
0.5714	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.5714	Remote Similarity	NPD74	Approved
0.5714	Remote Similarity	NPD9266	Approved
0.5706	Remote Similarity	NPD7054	Approved
0.5705	Remote Similarity	NPD7440	Discontinued
0.5705	Remote Similarity	NPD4060	Phase 1
0.5704	Remote Similarity	NPD422	Phase 1
0.5704	Remote Similarity	NPD1535	Discovery
0.5696	Remote Similarity	NPD6273	Approved
0.5687	Remote Similarity	NPD7458	Discontinued
0.5686	Remote Similarity	NPD6002	Phase 3
0.5686	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.5686	Remote Similarity	NPD6005	Phase 3
0.5686	Remote Similarity	NPD6004	Phase 3
0.5686	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.5685	Remote Similarity	NPD454	Approved
0.5683	Remote Similarity	NPD5536	Phase 2
0.5679	Remote Similarity	NPD7577	Discontinued
0.5679	Remote Similarity	NPD6280	Approved
0.5679	Remote Similarity	NPD6279	Approved
0.5676	Remote Similarity	NPD1048	Approved
0.5673	Remote Similarity	NPD7472	Approved
0.5673	Remote Similarity	NPD7074	Phase 3
0.5667	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.5664	Remote Similarity	NPD9269	Phase 2
0.5663	Remote Similarity	NPD5494	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