NPASS Compound

Structure

CID294815 OpenBabel06191716102D 44 48 0 0 1 0 0 0 0 0999 V2000 3.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 2.5000 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 -4.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 4.0000 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 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 2 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 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 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 -0.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 2.5000 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 -1.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 39 1 0 0 0 0 3 4 2 0 0 0 0 3 10 1 0 0 0 0 4 12 1 0 0 0 0 5 10 2 0 0 0 0 5 14 1 0 0 0 0 6 11 2 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 7 15 2 0 0 0 0 8 40 1 0 0 0 0 9 1 1 1 0 0 0 9 18 1 0 0 0 0 9 41 1 0 0 0 0 10 25 1 0 0 0 0 11 29 1 0 0 0 0 12 14 2 0 0 0 0 12 30 1 0 0 0 0 13 17 2 0 0 0 0 13 31 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 16 8 1 6 0 0 0 16 19 1 0 0 0 0 16 43 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 6 0 0 0 19 22 1 0 0 0 0 19 33 1 1 0 0 0 20 26 1 0 0 0 0 20 34 2 0 0 0 0 21 23 1 0 0 0 0 21 35 1 1 0 0 0 22 24 1 0 0 0 0 22 36 1 6 0 0 0 23 27 1 0 0 0 0 23 37 1 1 0 0 0 24 28 1 0 0 0 0 24 38 1 1 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 44 1 0 0 0 0 27 40 1 6 0 0 0 27 41 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 6 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	624.17
Volume:	569.614
LogP:	0.227
LogD:	-0.142
LogS:	-3.786
# Rotatable Bonds:	7
TPSA:	258.43
# H-Bond Aceptor:	16
# H-Bond Donor:	9
# Rings:	5
# Heavy Atoms:	16

MedChem Properties

QED Drug-Likeness Score:	0.147
Synthetic Accessibility Score:	4.749
Fsp3:	0.464
Lipinski Rule-of-5:	Rejected
Pfizer Rule:	Accepted
GSK Rule:	Rejected
BMS Rule:	0
Golden Triangle Rule:	Rejected
Chelating Alert:	1
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-6.419
MDCK Permeability:	2.6266206987202168e-05
Pgp-inhibitor:	0.007
Pgp-substrate:	0.998
Human Intestinal Absorption (HIA):	0.848
20% Bioavailability (F20%):	0.01
30% Bioavailability (F30%):	0.997

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.058
Plasma Protein Binding (PPB):	83.47632598876953%
Volume Distribution (VD):	0.682
Pgp-substrate:	17.502992630004883%

ADMET: Metabolism

CYP1A2-inhibitor:	0.086
CYP1A2-substrate:	0.121
CYP2C19-inhibitor:	0.031
CYP2C19-substrate:	0.058
CYP2C9-inhibitor:	0.013
CYP2C9-substrate:	0.198
CYP2D6-inhibitor:	0.055
CYP2D6-substrate:	0.149
CYP3A4-inhibitor:	0.043
CYP3A4-substrate:	0.006

ADMET: Excretion

Clearance (CL):	1.589
Half-life (T1/2):	0.728

ADMET: Toxicity

hERG Blockers:	0.259
Human Hepatotoxicity (H-HT):	0.096
Drug-inuced Liver Injury (DILI):	0.979
AMES Toxicity:	0.823
Rat Oral Acute Toxicity:	0.032
Maximum Recommended Daily Dose:	0.011
Skin Sensitization:	0.787
Carcinogencity:	0.052
Eye Corrosion:	0.003
Eye Irritation:	0.174
Respiratory Toxicity:	0.029

Download Data

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

Natural Product: NPC294815

Natural Product ID:	NPC294815
*Common Name:**	Narcissin
IUPAC Name:	5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Synonyms:	Isorhamnetin 3-O-Rutinoside; Narcissin; Narcissoside
Standard InCHIKey:	UIDGLYUNOUKLBM-GEBJFKNCSA-N
Standard InCHI:	InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1
SMILES:	C[C@H]1[C@@H]([C@H]([C@H]([C@H](OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc2c(=O)c3c(cc(cc3oc2c2ccc(c(c2)OC)O)O)O)O)O)O)O1)O)O)O
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL258394
PubChem CID:	5481663
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000261] Phenylpropanoids and polyketides [CHEMONTID:0000334] Flavonoids [CHEMONTID:0001111] Flavonoid glycosides [CHEMONTID:0001583] Flavonoid O-glycosides [CHEMONTID:0003531] Flavonoid-3-O-glycosides

*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
NPO13512	Opuntia ficus-indica	Species	Cactaceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.1016/j.indcrop.2014.08.046]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	leaf	n.a.	DOI[10.1016/S0031-9422(00)94055-X]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	leaf	n.a.	DOI[10.1016/S0031-9422(01)00320-X]
NPO23656	Typha latifolia	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1021/np50070a031]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	flower	n.a.	DOI[10.3390/70200245]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	n.a.	leaf	n.a.	PMID[11348221]
NPO6363	Conyza filaginoides	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11374974]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	leaf	n.a.	PMID[11738417]
NPO8171	Artocarpus altilis	Species	Moraceae	Eukaryota	bud covers	n.a.	n.a.	PMID[11975520]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	fruits	n.a.	n.a.	PMID[12467621]
NPO22304	Morinda morindoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12542353]
NPO8171	Artocarpus altilis	Species	Moraceae	Eukaryota	n.a.	root	n.a.	PMID[12662107]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	Leaves	n.a.	n.a.	PMID[12713396]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	fruit	n.a.	n.a.	PMID[15844957]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	root	n.a.	PMID[16212233]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	fruits	n.a.	n.a.	PMID[16378361]
NPO15095	Hippophae rhamnoides	Species	Elaeagnaceae	Eukaryota	n.a.	fruit	n.a.	PMID[16417304]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[16441081]
NPO5870	Xenia florida	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[16643051]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16675659]
NPO12386	Russula japonica	Species	Russulaceae	Eukaryota	fruiting body	n.a.	n.a.	PMID[16989517]
NPO28919	Calendula officinalis	Species	Asteraceae	Eukaryota	flowers	n.a.	n.a.	PMID[17190444]
NPO15095	Hippophae rhamnoides	Species	Elaeagnaceae	Eukaryota	n.a.	branch	n.a.	PMID[17202693]
NPO6536	Marrubium velutinum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[17287127]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	fruits	Tahiti	n.a.	PMID[17378609]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	Fruits	n.a.	n.a.	PMID[17480098]
NPO14254	Kandelia candel	Species	Rhizophoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[17944538]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	roots	n.a.	n.a.	PMID[18076142]
NPO2687	Baphia bancoensis	Species	Fabaceae	Eukaryota	roots	n.a.	n.a.	PMID[19007285]
NPO3478	Nelumbo nucifera	Species	Nelumbonaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19919095]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	roots	n.a.	n.a.	PMID[20022509]
NPO22304	Morinda morindoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20149652]
NPO1698	Glycyrrhiza inflata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21123068]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	fruit	n.a.	PMID[21462031]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21866899]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[22074222]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22074222]
NPO23708	Aster koraiensis	Species	Asteraceae	Eukaryota	aerial parts	Euidang-myun, Gongju city, Chungchengnam-do, Republic of Korea	2007-Aug	PMID[22264115]
NPO14254	Kandelia candel	Species	Rhizophoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22823026]
NPO3478	Nelumbo nucifera	Species	Nelumbonaceae	Eukaryota	flower buds and leaves	Khon Kaen province, Thailand	2010	PMID[23270663]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	root bark	n.a.	n.a.	PMID[23282106]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23325115]
NPO28919	Calendula officinalis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23327299]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	Roots	n.a.	n.a.	PMID[23541646]
NPO3478	Nelumbo nucifera	Species	Nelumbonaceae	Eukaryota	Leaves	n.a.	n.a.	PMID[23642481]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	rhizome	n.a.	PMID[23867078]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[23867078]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24224843]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24479468]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24617303]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	roots	n.a.	n.a.	PMID[24957203]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25445757]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25744461]
NPO14254	Kandelia candel	Species	Rhizophoraceae	Eukaryota	leaves and stems	Ha Long, Quang Ninh province, Vietnam	2014-Jul	PMID[25769817]
NPO3478	Nelumbo nucifera	Species	Nelumbonaceae	Eukaryota	Flowers	n.a.	n.a.	PMID[26462418]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26841168]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	Root Bark	n.a.	n.a.	PMID[26982999]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27196335]
NPO41077	Xanthoceras sorbifolia Bunge	Strain	Sapindaceae	Eukaryota	Leaves	n.a.	n.a.	PMID[27623545]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28140583]
NPO1698	Glycyrrhiza inflata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28522265]
NPO1698	Glycyrrhiza inflata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29641206]
NPO14254	Kandelia candel	Species	Rhizophoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29792702]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31397570]
NPO40376	Tetraena mongolica	Species	Zygophyllaceae	Eukaryota	Leaves	n.a.	n.a.	PMID[31593459]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	Fruits	n.a.	n.a.	PMID[32083868]
NPO40254	Opuntia humifusa	Species	Cactaceae	Eukaryota	Cladodes	n.a.	n.a.	PMID[32118424]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32196343]
NPO20045	Burkholderia cepacia	Species	Burkholderiaceae	Bacteria	n.a.	n.a.	n.a.	PMID[3839140]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7381508]
NPO19935	Evodia rutaecarpa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7463094]
NPO20045	Burkholderia cepacia	Species	Burkholderiaceae	Bacteria	n.a.	n.a.	n.a.	PMID[7684040]
NPO22304	Morinda morindoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7775983]
NPO19935	Evodia rutaecarpa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[8201313]
NPO19935	Evodia rutaecarpa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[8699182]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	fruits	n.a.	n.a.	PMID[9090870]
NPO5870	Xenia florida	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[9868153]
NPO7557	Aristolochia mollissima	Species	Aristolochiaceae	Eukaryota	n.a.	amniotic fluid	n.a.	Database[Article]
NPO3912	Areca catechu	Species	Arecaceae	Eukaryota	n.a.	fruit	n.a.	Database[Article]
NPO8171	Artocarpus altilis	Species	Moraceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO3478	Nelumbo nucifera	Species	Nelumbonaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO8171	Artocarpus altilis	Species	Moraceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO15095	Hippophae rhamnoides	Species	Elaeagnaceae	Eukaryota	Bark	n.a.	n.a.	Database[FooDB]
NPO15095	Hippophae rhamnoides	Species	Elaeagnaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO8171	Artocarpus altilis	Species	Moraceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO3478	Nelumbo nucifera	Species	Nelumbonaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO15095	Hippophae rhamnoides	Species	Elaeagnaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO3478	Nelumbo nucifera	Species	Nelumbonaceae	Eukaryota	Rhizome	n.a.	n.a.	Database[FooDB]
NPO15095	Hippophae rhamnoides	Species	Elaeagnaceae	Eukaryota	Root	n.a.	n.a.	Database[FooDB]
NPO15095	Hippophae rhamnoides	Species	Elaeagnaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO8171	Artocarpus altilis	Species	Moraceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO3478	Nelumbo nucifera	Species	Nelumbonaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO15095	Hippophae rhamnoides	Species	Elaeagnaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO9822	Typha angustifolia	Species	Typhaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO14379	Onobrychis viciifolia	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23656	Typha latifolia	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13512	Opuntia ficus-indica	Species	Cactaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO3478	Nelumbo nucifera	Species	Nelumbonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7731	Lactuca serriola	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7557	Aristolochia mollissima	Species	Aristolochiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14274	Rhododendron mucronatum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21600	Aconitum variegatum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO1698	Glycyrrhiza inflata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28919	Calendula officinalis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15095	Hippophae rhamnoides	Species	Elaeagnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17458	Sparganium stoloniferum	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO2469	Erythrophleum couminga	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO3912	Areca catechu	Species	Arecaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22500	Stephania dielsiana	Species	Menispermaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11457	Chelidonium majus	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20846	Sophora japonica	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO9822	Typha angustifolia	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14379	Onobrychis viciifolia	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13512	Opuntia ficus-indica	Species	Cactaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6536	Marrubium velutinum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23656	Typha latifolia	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3912	Areca catechu	Species	Arecaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19935	Evodia rutaecarpa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21600	Aconitum variegatum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17458	Sparganium stoloniferum	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15095	Hippophae rhamnoides	Species	Elaeagnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8561	Liparis loeselii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8171	Artocarpus altilis	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3478	Nelumbo nucifera	Species	Nelumbonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14274	Rhododendron mucronatum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22500	Stephania dielsiana	Species	Menispermaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1698	Glycyrrhiza inflata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO2469	Erythrophleum couminga	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7557	Aristolochia mollissima	Species	Aristolochiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7731	Lactuca serriola	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11457	Chelidonium majus	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9822	Typha angustifolia	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28919	Calendula officinalis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14254	Kandelia candel	Species	Rhizophoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20846	Sophora japonica	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17458	Sparganium stoloniferum	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO23656	Typha latifolia	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14254	Kandelia candel	Species	Rhizophoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO3912	Areca catechu	Species	Arecaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21600	Aconitum variegatum	Species	Ranunculaceae	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]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO15095	Hippophae rhamnoides	Species	Elaeagnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO30034	Onobrychis vicllfolia	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO2469	Erythrophleum couminga	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7557	Aristolochia mollissima	Species	Aristolochiaceae	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]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9822	Typha angustifolia	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO1698	Glycyrrhiza inflata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO20846	Sophora japonica	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14274	Rhododendron mucronatum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO3478	Nelumbo nucifera	Species	Nelumbonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO11457	Chelidonium majus	Species	Papaveraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO17458	Sparganium stoloniferum	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO11457	Chelidonium majus	Species	Papaveraceae	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]
NPO3912	Areca catechu	Species	Arecaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO1698	Glycyrrhiza inflata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO8314	Euodia ruticarpa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO15095	Hippophae rhamnoides	Species	Elaeagnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO16845	Euodia bodinieri	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO28251	Typha orientalis	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4877	Euodia officinalis	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO3478	Nelumbo nucifera	Species	Nelumbonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO20846	Sophora japonica	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	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]
NPO9822	Typha angustifolia	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO19935	Evodia rutaecarpa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO16013	Inga velutina	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO875	Cryptocarya oblata	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21409	Populus angustifolia	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23656	Typha latifolia	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16781	Dorycnium suffruticosum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9342	Solenopsis punctaticeps	Species	Campanulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12557	Strychnos tricalysioides	Species	Loganiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27966	Stigmatella erecta	Species	Archangiaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO8561	Liparis loeselii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5870	Xenia florida	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO3425	Acacia floribunda	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21534	Ostrya carpinifolia	Species	Betulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10892	Xanthorrhoea resinosa	Species	Asphodelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13683	Cosmos diversifolius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17823	Lycium chinense	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6363	Conyza filaginoides	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6863	Dendrobates azureus	Species	Dendrobatidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21600	Aconitum variegatum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17773	Senecio ambraceus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3912	Areca catechu	Species	Arecaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2152	Angophora hispida	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO206	Ormosia nobilis	Species	Limoniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26159	Pseudocyphellaria faveolata	Species	Lobariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20584	Cheilanthes fragrans	Species	Pteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2046	Cathormion altissimum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12207	Lagochilus leiacanthus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12726	Piptostigma fugax	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1398	Trichodesma incanum	Species	Boraginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10594	Centaurea solstitialis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23429	Lycium barbarum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14075	Streptomyces viridogenes	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO19935	Evodia rutaecarpa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14254	Kandelia candel	Species	Rhizophoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7731	Lactuca serriola	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2469	Erythrophleum couminga	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22434	Cryptosporium pinicola	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO3585	Dicranum elongatum	Species	Dicranaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO870	Aglaia tsangii	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22176	Lasiosiphon kraussianus	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6536	Marrubium velutinum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9822	Typha angustifolia	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16080	Cedrela fissilis	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18291	Idea leuconoe	Species	Nymphalidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22304	Morinda morindoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12035	Rhododendron ungerni	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23708	Aster koraiensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17165	Teucrium heterophyllum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5380	Eucalyptus australiana	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14379	Onobrychis viciifolia	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3478	Nelumbo nucifera	Species	Nelumbonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14281	Anaxagorea dolichocarpa	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13761	Plexaurella nutans	Species	Plexauridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10534	Rosa foetida	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10928	Xenia obscuronata	Species	Xeniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12386	Russula japonica	Species	Russulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17458	Sparganium stoloniferum	Species	Typhaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17525	Baccharis sagittalis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4024	Pedicularis procera	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21028	Sasa paniculata	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14274	Rhododendron mucronatum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11046	Ocimum pilosum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13512	Opuntia ficus-indica	Species	Cactaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13192	Chara ceratophylla	Species	Characeae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4184	Cyathea phalerata	Species	Cyatheaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15095	Hippophae rhamnoides	Species	Elaeagnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20846	Sophora japonica	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3059	Erythrina pallida	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20585	Urochloa decumbens	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20045	Burkholderia cepacia	Species	Burkholderiaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO21344	Fadogia agrestis	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22500	Stephania dielsiana	Species	Menispermaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8171	Artocarpus altilis	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7608	Phelline lucida	Species	Phellinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2687	Baphia bancoensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16306	Curcuma caesia	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21276	Sedum forsteri	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28919	Calendula officinalis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9505	Magnolia pterocarpa	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1698	Glycyrrhiza inflata	Species	Fabaceae	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
NPO13512	NPC294815	n.a.	Flowers	1.517	n.a.	n.a.	mg GAE/g extract of DW	DOI[10.1016/j.indcrop.2014.08.046]

☑ 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	16
MIC	1
Others	16

Activity Type	# Activity
Cell Line	5
Individual Protein	6
NON-MOLECULAR	7
Organism	4
Others	10
Tissue	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	13.13	%	PMID[489186]
NPT1310	Individual Protein	Xanthine dehydrogenase	Bos taurus	Inhibition	=	22.2	%	PMID[489188]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	70.0	%	PMID[489190]
NPT80	Cell Line	Raji	Homo sapiens	Activity	>	80.0	%	PMID[489190]
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	IC50	>	80000.0	nM	PMID[489192]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	Activity	=	83.65	%	PMID[489194]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	Activity	=	84.04	%	PMID[489194]
NPT848	Cell Line	N9	Homo sapiens	IC50	>	100000.0	nM	PMID[489201]
NPT177	Tissue	Aorta	Rattus norvegicus	IC50	=	16800.0	nM	PMID[489187]
NPT992	Organism	Entamoeba histolytica	Entamoeba histolytica	IC50	=	17.2	ug.mL-1	PMID[489189]
NPT2645	Organism	Giardia intestinalis	Giardia intestinalis	IC50	=	94.7	ug.mL-1	PMID[489189]
NPT2	Others	Unspecified		Activity	=	16.3	%	PMID[489190]
NPT2	Others	Unspecified		Activity	=	62.4	%	PMID[489190]
NPT2	Others	Unspecified		Activity	=	84.3	%	PMID[489190]
NPT2	Others	Unspecified		IC50	=	585.0	molar ratio	PMID[489190]
NPT2	Others	Unspecified		Activity	=	100.0	%	PMID[489190]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	3800.0	nM	PMID[489191]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	9600.0	nM	PMID[489191]
NPT35	Others	n.a.		IC50	>	50000.0	nM	PMID[489195]
NPT68	Individual Protein	Aldose reductase	Rattus norvegicus	IC50	=	12100.0	nM	PMID[489195]
NPT992	Organism	Entamoeba histolytica	Entamoeba histolytica	IC50	=	17.2	ug.mL-1	PMID[489196]
NPT878	Organism	Streptococcus mutans	Streptococcus mutans	MIC	>	320200.0	nM	PMID[489197]
NPT2	Others	Unspecified		IC50	=	62100.0	nM	PMID[489197]
NPT2	Others	Unspecified		IC50	>	50000.0	nM	PMID[489198]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	>	100000.0	nM	PMID[489200]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	89.46	%	PMID[489200]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	95.1	%	PMID[489200]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	88.67	%	PMID[489200]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	88.85	%	PMID[489200]

☑ 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 NPC294815 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	460
0.1-0.2	1842
0.2-0.3	4252
0.3-0.4	9791
0.4-0.5	8319
0.5-0.6	4578
0.6-0.7	5577
0.7-0.8	5191
0.8-0.85	1537
0.85-0.9	565
0.9-0.95	424
0.95-1	161

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC16194
1.0	High Similarity	NPC220173
1.0	High Similarity	NPC19108
1.0	High Similarity	NPC476472
1.0	High Similarity	NPC473327
0.9878	High Similarity	NPC251417
0.9878	High Similarity	NPC173837
0.9878	High Similarity	NPC89052
0.9877	High Similarity	NPC471725
0.9877	High Similarity	NPC471748
0.9877	High Similarity	NPC134532
0.9877	High Similarity	NPC33054
0.9877	High Similarity	NPC155877
0.9877	High Similarity	NPC203259
0.9877	High Similarity	NPC26230
0.9877	High Similarity	NPC176740
0.9877	High Similarity	NPC60735
0.9818	High Similarity	NPC473682
0.9818	High Similarity	NPC241423
0.9818	High Similarity	NPC192539
0.9818	High Similarity	NPC473571
0.9818	High Similarity	NPC470443
0.9818	High Similarity	NPC126784
0.9818	High Similarity	NPC470444
0.9818	High Similarity	NPC110941
0.9817	High Similarity	NPC14187
0.9817	High Similarity	NPC48984
0.9817	High Similarity	NPC292019
0.9817	High Similarity	NPC122467
0.9817	High Similarity	NPC202908
0.9817	High Similarity	NPC471669
0.9817	High Similarity	NPC219043
0.9817	High Similarity	NPC89127
0.9815	High Similarity	NPC67105
0.9815	High Similarity	NPC29958
0.9815	High Similarity	NPC136042
0.9815	High Similarity	NPC285197
0.9815	High Similarity	NPC254855
0.9815	High Similarity	NPC259896
0.9815	High Similarity	NPC255157
0.9815	High Similarity	NPC67326
0.9815	High Similarity	NPC95866
0.9815	High Similarity	NPC156869
0.9753	High Similarity	NPC209296
0.9753	High Similarity	NPC195257
0.9753	High Similarity	NPC223747
0.9753	High Similarity	NPC86008
0.9753	High Similarity	NPC225434
0.9753	High Similarity	NPC203050
0.9753	High Similarity	NPC120099
0.9753	High Similarity	NPC219904
0.9753	High Similarity	NPC227508
0.9701	High Similarity	NPC470445
0.9701	High Similarity	NPC470446
0.9701	High Similarity	NPC470447
0.9701	High Similarity	NPC470449
0.9701	High Similarity	NPC473072
0.9697	High Similarity	NPC470949
0.9697	High Similarity	NPC473862
0.9697	High Similarity	NPC65563
0.9697	High Similarity	NPC169733
0.9697	High Similarity	NPC8573
0.9693	High Similarity	NPC206123
0.9691	High Similarity	NPC52550
0.9691	High Similarity	NPC275454
0.9691	High Similarity	NPC226304
0.9691	High Similarity	NPC325555
0.9691	High Similarity	NPC84362
0.9691	High Similarity	NPC223424
0.9691	High Similarity	NPC317489
0.9691	High Similarity	NPC173637
0.9691	High Similarity	NPC265530
0.9691	High Similarity	NPC127546
0.9643	High Similarity	NPC470717
0.9643	High Similarity	NPC21359
0.9643	High Similarity	NPC470451
0.9643	High Similarity	NPC470455
0.9643	High Similarity	NPC460984
0.9643	High Similarity	NPC470713
0.9643	High Similarity	NPC25946
0.9643	High Similarity	NPC470720
0.9643	High Similarity	NPC148710
0.9641	High Similarity	NPC473071
0.9641	High Similarity	NPC473073
0.9636	High Similarity	NPC198199
0.9636	High Similarity	NPC294629
0.9636	High Similarity	NPC253685
0.9634	High Similarity	NPC153755
0.9634	High Similarity	NPC180918
0.9632	High Similarity	NPC270578
0.9632	High Similarity	NPC52382
0.963	High Similarity	NPC210073
0.963	High Similarity	NPC21100
0.963	High Similarity	NPC145038
0.963	High Similarity	NPC73855
0.963	High Similarity	NPC281131
0.963	High Similarity	NPC277174
0.963	High Similarity	NPC253662
0.963	High Similarity	NPC88789
0.963	High Similarity	NPC135599
0.963	High Similarity	NPC308404
0.963	High Similarity	NPC179950
0.963	High Similarity	NPC113968
0.963	High Similarity	NPC197285
0.963	High Similarity	NPC118284
0.963	High Similarity	NPC274618
0.963	High Similarity	NPC8856
0.963	High Similarity	NPC115674
0.963	High Similarity	NPC328940
0.963	High Similarity	NPC276222
0.963	High Similarity	NPC56077
0.9586	High Similarity	NPC295625
0.9586	High Similarity	NPC470719
0.9586	High Similarity	NPC473554
0.9583	High Similarity	NPC241781
0.9583	High Similarity	NPC162394
0.9583	High Similarity	NPC156785
0.9583	High Similarity	NPC470718
0.9576	High Similarity	NPC204693
0.9576	High Similarity	NPC208668
0.9576	High Similarity	NPC42773
0.9576	High Similarity	NPC101026
0.9576	High Similarity	NPC4390
0.9576	High Similarity	NPC21666
0.9576	High Similarity	NPC45522
0.9576	High Similarity	NPC24043
0.9576	High Similarity	NPC169977
0.9573	High Similarity	NPC79056
0.9573	High Similarity	NPC177731
0.9573	High Similarity	NPC244776
0.9573	High Similarity	NPC105095
0.9573	High Similarity	NPC51326
0.9573	High Similarity	NPC116864
0.9573	High Similarity	NPC44328
0.9573	High Similarity	NPC231194
0.9571	High Similarity	NPC160156
0.9571	High Similarity	NPC92565
0.9568	High Similarity	NPC240431
0.9568	High Similarity	NPC55786
0.9568	High Similarity	NPC19388
0.9568	High Similarity	NPC475497
0.9568	High Similarity	NPC277205
0.9568	High Similarity	NPC311830
0.9568	High Similarity	NPC15358
0.9568	High Similarity	NPC284277
0.9568	High Similarity	NPC22832
0.9568	High Similarity	NPC475366
0.9527	High Similarity	NPC249560
0.9527	High Similarity	NPC223860
0.9527	High Similarity	NPC275977
0.9521	High Similarity	NPC120952
0.9521	High Similarity	NPC217520
0.9521	High Similarity	NPC139571
0.9515	High Similarity	NPC190003
0.9515	High Similarity	NPC175107
0.9515	High Similarity	NPC3583
0.9515	High Similarity	NPC476405
0.9515	High Similarity	NPC259152
0.9515	High Similarity	NPC245452
0.9515	High Similarity	NPC117260
0.9515	High Similarity	NPC256760
0.9512	High Similarity	NPC105283
0.9512	High Similarity	NPC293629
0.9512	High Similarity	NPC43587
0.9509	High Similarity	NPC236934
0.9509	High Similarity	NPC5778
0.9506	High Similarity	NPC88023
0.9506	High Similarity	NPC222936
0.9506	High Similarity	NPC270335
0.9506	High Similarity	NPC309025
0.9506	High Similarity	NPC243930
0.9506	High Similarity	NPC284960
0.9506	High Similarity	NPC191306
0.9506	High Similarity	NPC19709
0.9471	High Similarity	NPC104910
0.9471	High Similarity	NPC33083
0.9471	High Similarity	NPC474093
0.9461	High Similarity	NPC255799
0.9461	High Similarity	NPC198324
0.9461	High Similarity	NPC472385
0.9458	High Similarity	NPC25724
0.9455	High Similarity	NPC84265
0.9455	High Similarity	NPC150767
0.9455	High Similarity	NPC78734
0.9455	High Similarity	NPC235260
0.9455	High Similarity	NPC218488
0.9455	High Similarity	NPC20505
0.9455	High Similarity	NPC245014
0.9455	High Similarity	NPC155763
0.9455	High Similarity	NPC282987
0.9451	High Similarity	NPC229729
0.9444	High Similarity	NPC473043
0.9444	High Similarity	NPC240306
0.9444	High Similarity	NPC77660
0.9444	High Similarity	NPC189142
0.9415	High Similarity	NPC30011
0.9415	High Similarity	NPC97817
0.9415	High Similarity	NPC475179
0.9415	High Similarity	NPC64755
0.9415	High Similarity	NPC72554

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 NPC294815 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	404
0.1-0.2	953
0.2-0.3	1998
0.3-0.4	2741
0.4-0.5	1793
0.5-0.6	852
0.6-0.7	273
0.7-0.8	104
0.8-0.85	18
0.85-0.9	6
0.9-0.95	2
0.95-1	6

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9938	High Similarity	NPD7251	Discontinued
0.9877	High Similarity	NPD7808	Phase 3
0.9877	High Similarity	NPD6797	Phase 2
0.9815	High Similarity	NPD7472	Approved
0.9753	High Similarity	NPD7054	Approved
0.9573	High Similarity	NPD7074	Phase 3
0.9401	High Similarity	NPD4338	Clinical (unspecified phase)
0.9277	High Similarity	NPD7804	Clinical (unspecified phase)
0.9212	High Similarity	NPD6167	Clinical (unspecified phase)
0.9212	High Similarity	NPD6168	Clinical (unspecified phase)
0.9212	High Similarity	NPD6166	Phase 2
0.9102	High Similarity	NPD3818	Discontinued
0.8963	High Similarity	NPD4381	Clinical (unspecified phase)
0.8841	High Similarity	NPD3817	Phase 2
0.8834	High Similarity	NPD1934	Approved
0.8675	High Similarity	NPD3882	Suspended
0.8667	High Similarity	NPD2393	Clinical (unspecified phase)
0.8667	High Similarity	NPD2801	Approved
0.858	High Similarity	NPD1512	Approved
0.8512	High Similarity	NPD7075	Discontinued
0.8506	High Similarity	NPD7993	Clinical (unspecified phase)
0.8457	Intermediate Similarity	NPD1511	Approved
0.8373	Intermediate Similarity	NPD4380	Phase 2
0.8343	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8284	Intermediate Similarity	NPD5402	Approved
0.8274	Intermediate Similarity	NPD6801	Discontinued
0.8249	Intermediate Similarity	NPD6559	Discontinued
0.8193	Intermediate Similarity	NPD5403	Approved
0.8182	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8142	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.8121	Intermediate Similarity	NPD6799	Approved
0.8092	Intermediate Similarity	NPD5494	Approved
0.8072	Intermediate Similarity	NPD5401	Approved
0.8036	Intermediate Similarity	NPD1653	Approved
0.8023	Intermediate Similarity	NPD3751	Discontinued
0.8023	Intermediate Similarity	NPD7228	Approved
0.8	Intermediate Similarity	NPD3787	Discontinued
0.7975	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7975	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7965	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7956	Intermediate Similarity	NPD8312	Approved
0.7956	Intermediate Similarity	NPD8313	Approved
0.7944	Intermediate Similarity	NPD7685	Pre-registration
0.7943	Intermediate Similarity	NPD6959	Discontinued
0.7927	Intermediate Similarity	NPD1549	Phase 2
0.7907	Intermediate Similarity	NPD7819	Suspended
0.7907	Intermediate Similarity	NPD1465	Phase 2
0.7877	Intermediate Similarity	NPD5844	Phase 1
0.7865	Intermediate Similarity	NPD7473	Discontinued
0.7853	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7836	Intermediate Similarity	NPD6599	Discontinued
0.7805	Intermediate Similarity	NPD2796	Approved
0.7797	Intermediate Similarity	NPD6232	Discontinued
0.7791	Intermediate Similarity	NPD7411	Suspended
0.7772	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7765	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7758	Intermediate Similarity	NPD7266	Discontinued
0.7751	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7744	Intermediate Similarity	NPD1510	Phase 2
0.7742	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.774	Intermediate Similarity	NPD7199	Phase 2
0.7727	Intermediate Similarity	NPD919	Approved
0.772	Intermediate Similarity	NPD7435	Discontinued
0.7704	Intermediate Similarity	NPD8151	Discontinued
0.7701	Intermediate Similarity	NPD8455	Phase 2
0.7656	Intermediate Similarity	NPD6779	Approved
0.7656	Intermediate Similarity	NPD6776	Approved
0.7656	Intermediate Similarity	NPD6781	Approved
0.7656	Intermediate Similarity	NPD6782	Approved
0.7656	Intermediate Similarity	NPD6780	Approved
0.7656	Intermediate Similarity	NPD6778	Approved
0.7656	Intermediate Similarity	NPD6777	Approved
0.765	Intermediate Similarity	NPD7240	Approved
0.764	Intermediate Similarity	NPD1247	Approved
0.7629	Intermediate Similarity	NPD7698	Approved
0.7629	Intermediate Similarity	NPD7697	Approved
0.7629	Intermediate Similarity	NPD7696	Phase 3
0.7627	Intermediate Similarity	NPD6234	Discontinued
0.7611	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD1613	Approved
0.7607	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7602	Intermediate Similarity	NPD7584	Approved
0.7574	Intermediate Similarity	NPD6190	Approved
0.7563	Intermediate Similarity	NPD7701	Phase 2
0.7556	Intermediate Similarity	NPD3926	Phase 2
0.7543	Intermediate Similarity	NPD37	Approved
0.7515	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7514	Intermediate Similarity	NPD4967	Phase 2
0.7514	Intermediate Similarity	NPD4966	Approved
0.7514	Intermediate Similarity	NPD4965	Approved
0.75	Intermediate Similarity	NPD1240	Approved
0.75	Intermediate Similarity	NPD7870	Phase 2
0.75	Intermediate Similarity	NPD7871	Phase 2
0.75	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7487	Intermediate Similarity	NPD7874	Approved
0.7487	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7461	Intermediate Similarity	NPD7700	Phase 2
0.7461	Intermediate Similarity	NPD7699	Phase 2
0.7455	Intermediate Similarity	NPD1933	Approved
0.745	Intermediate Similarity	NPD7783	Phase 2
0.745	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7423	Intermediate Similarity	NPD3027	Phase 3
0.7416	Intermediate Similarity	NPD7768	Phase 2
0.7412	Intermediate Similarity	NPD3750	Approved
0.7411	Intermediate Similarity	NPD8320	Phase 1
0.7411	Intermediate Similarity	NPD8319	Approved
0.741	Intermediate Similarity	NPD1607	Approved
0.7396	Intermediate Similarity	NPD6535	Approved
0.7396	Intermediate Similarity	NPD6534	Approved
0.7394	Intermediate Similarity	NPD943	Approved
0.7378	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7363	Intermediate Similarity	NPD7801	Approved
0.7362	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7349	Intermediate Similarity	NPD230	Phase 1
0.731	Intermediate Similarity	NPD4628	Phase 3
0.731	Intermediate Similarity	NPD6823	Phase 2
0.7301	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD1551	Phase 2
0.7278	Intermediate Similarity	NPD3749	Approved
0.7263	Intermediate Similarity	NPD8434	Phase 2
0.7263	Intermediate Similarity	NPD8150	Discontinued
0.7246	Intermediate Similarity	NPD447	Suspended
0.7245	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.7228	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7214	Intermediate Similarity	NPD7585	Approved
0.7208	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD7680	Approved
0.7176	Intermediate Similarity	NPD2935	Discontinued
0.7175	Intermediate Similarity	NPD7458	Discontinued
0.7164	Intermediate Similarity	NPD7583	Approved
0.7151	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7151	Intermediate Similarity	NPD6674	Discontinued
0.7143	Intermediate Similarity	NPD5619	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD2533	Approved
0.7143	Intermediate Similarity	NPD2534	Approved
0.7143	Intermediate Similarity	NPD2532	Approved
0.7129	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD3748	Approved
0.7076	Intermediate Similarity	NPD6100	Approved
0.7076	Intermediate Similarity	NPD6099	Approved
0.7066	Intermediate Similarity	NPD6798	Discontinued
0.7062	Intermediate Similarity	NPD920	Approved
0.7056	Intermediate Similarity	NPD6844	Discontinued
0.7053	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7052	Intermediate Similarity	NPD2800	Approved
0.7048	Intermediate Similarity	NPD6832	Phase 2
0.7045	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD4360	Phase 2
0.7041	Intermediate Similarity	NPD6355	Discontinued
0.7041	Intermediate Similarity	NPD4363	Phase 3
0.7037	Intermediate Similarity	NPD1091	Approved
0.7037	Intermediate Similarity	NPD5953	Discontinued
0.7024	Intermediate Similarity	NPD6233	Phase 2
0.7021	Intermediate Similarity	NPD7286	Phase 2
0.7018	Intermediate Similarity	NPD7033	Discontinued
0.7	Intermediate Similarity	NPD6651	Approved
0.699	Remote Similarity	NPD6212	Phase 3
0.699	Remote Similarity	NPD6213	Phase 3
0.699	Remote Similarity	NPD6214	Clinical (unspecified phase)
0.6989	Remote Similarity	NPD7390	Discontinued
0.6988	Remote Similarity	NPD9494	Approved
0.6983	Remote Similarity	NPD3226	Approved
0.6978	Remote Similarity	NPD5353	Approved
0.6954	Remote Similarity	NPD1652	Phase 2
0.6954	Remote Similarity	NPD1243	Approved
0.6951	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6949	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD4908	Phase 1
0.6932	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD2798	Approved
0.6914	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6882	Remote Similarity	NPD8127	Discontinued
0.6878	Remote Similarity	NPD2163	Approved
0.6872	Remote Similarity	NPD6842	Approved
0.6872	Remote Similarity	NPD6841	Approved
0.6872	Remote Similarity	NPD6843	Phase 3
0.6867	Remote Similarity	NPD1203	Approved
0.6864	Remote Similarity	NPD2313	Discontinued
0.6864	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD7211	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD7930	Approved
0.6842	Remote Similarity	NPD5124	Phase 1
0.6839	Remote Similarity	NPD2346	Discontinued
0.6839	Remote Similarity	NPD2344	Approved
0.6829	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD2799	Discontinued
0.6813	Remote Similarity	NPD6386	Approved
0.6813	Remote Similarity	NPD6385	Approved
0.6813	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD5242	Approved
0.6808	Remote Similarity	NPD7907	Approved
0.6804	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6798	Remote Similarity	NPD5006	Approved
0.6798	Remote Similarity	NPD5005	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