NPASS Compound

Structure

CID259182 OpenBabel06191716062D 31 33 0 0 1 0 0 0 0 0999 V2000 4.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -3.0000 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 1.7321 -3.0000 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 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 2 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 0.8660 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 2 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 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 -2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -4.5000 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 2.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 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 4 1 0 0 0 0 1 10 2 0 0 0 0 2 5 2 0 0 0 0 2 10 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 4 11 2 0 0 0 0 5 11 1 0 0 0 0 6 13 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 12 1 0 0 0 0 8 15 2 0 0 0 0 9 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 13 25 2 0 0 0 0 14 17 2 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 9 1 6 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 1 0 0 0 19 20 1 0 0 0 0 19 28 1 6 0 0 0 20 21 1 0 0 0 0 20 29 1 1 0 0 0 21 30 1 6 0 0 0 21 31 1 0 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	436.14
Volume:	415.55
LogP:	0.368
LogD:	0.417
LogS:	-3.067
# Rotatable Bonds:	7
TPSA:	177.14
# H-Bond Aceptor:	10
# H-Bond Donor:	7
# Rings:	3
# Heavy Atoms:	10

MedChem Properties

QED Drug-Likeness Score:	0.288
Synthetic Accessibility Score:	3.785
Fsp3:	0.381
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:	-6.381
MDCK Permeability:	5.321507160260808e-06
Pgp-inhibitor:	0.007
Pgp-substrate:	0.022
Human Intestinal Absorption (HIA):	0.877
20% Bioavailability (F20%):	0.773
30% Bioavailability (F30%):	0.999

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.069
Plasma Protein Binding (PPB):	75.01782989501953%
Volume Distribution (VD):	1.284
Pgp-substrate:	16.148771286010742%

ADMET: Metabolism

CYP1A2-inhibitor:	0.349
CYP1A2-substrate:	0.034
CYP2C19-inhibitor:	0.046
CYP2C19-substrate:	0.056
CYP2C9-inhibitor:	0.04
CYP2C9-substrate:	0.697
CYP2D6-inhibitor:	0.554
CYP2D6-substrate:	0.304
CYP3A4-inhibitor:	0.13
CYP3A4-substrate:	0.05

ADMET: Excretion

Clearance (CL):	8.159
Half-life (T1/2):	0.889

ADMET: Toxicity

hERG Blockers:	0.214
Human Hepatotoxicity (H-HT):	0.06
Drug-inuced Liver Injury (DILI):	0.617
AMES Toxicity:	0.414
Rat Oral Acute Toxicity:	0.141
Maximum Recommended Daily Dose:	0.007
Skin Sensitization:	0.918
Carcinogencity:	0.163
Eye Corrosion:	0.003
Eye Irritation:	0.152
Respiratory Toxicity:	0.025

Download Data

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

Natural Product: NPC259182

Natural Product ID:	NPC259182
*Common Name:**	Phlorizin
IUPAC Name:	1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
Synonyms:	Phloridzin
Standard InCHIKey:	IOUVKUPGCMBWBT-QNDFHXLGSA-N
Standard InCHI:	InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
SMILES:	c1cc(ccc1CCC(=O)c1c(cc(cc1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)O
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL245067
PubChem CID:	6072
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000261] Phenylpropanoids and polyketides [CHEMONTID:0000334] Flavonoids [CHEMONTID:0001111] Flavonoid glycosides [CHEMONTID:0001583] Flavonoid 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
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		DOI[10.1002/ejlt.201100207]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	fruit	n.a.	DOI[10.1007/s00217-007-0799-1]
NPO11578	Aloe vera	Species	Xanthorrhoeaceae	Eukaryota	Flowers	Tantempango, Hidalgo, Mexico	2019-May	DOI[10.1007/s11130-020-00822-2]
NPO24421	Agave salmiana	Species	Asparagaceae	Eukaryota	Flowers	Tantempango, Hidalgo, Mexico	2019-May	DOI[10.1007/s11130-020-00822-2]
NPO3286	Erythrina americana	Species	Fabaceae	Eukaryota	Flowers	Tantempango, Hidalgo, Mexico	2019-May	DOI[10.1007/s11130-020-00822-2]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		DOI[10.1007/s11746-010-1670-2]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	flower	n.a.	DOI[10.1016/j.foodchem.2011.01.077]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		DOI[10.1016/j.foodcont.2016.09.002]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		DOI[10.1016/j.jfca.2010.08.006]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		DOI[10.1016/j.supflu.2010.06.003]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		DOI[10.1016/j.supflu.2010.12.007]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		DOI[10.1016/j.supflu.2016.02.010]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		DOI[10.1016/j.supflu.2018.06.017]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	Fruit	n.a.	n.a.	DOI[10.1016/S0963-9969(99)00095-2]
NPO16230	Malus pumila	Species	Rosaceae	Eukaryota	Fruit	n.a.	n.a.	DOI[10.1021/jf970571j]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		DOI[10.12691/jfnr-2-5-9]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		DOI[10.5219/332]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	cone	n.a.	PMID[10336650]
NPO4795	Prunus armeniaca	Species	Rosaceae	Eukaryota	n.a.	kernel	n.a.	PMID[10670815]
NPO9305	Iotrochota purpurea	Species	Iotrochotidae	Eukaryota	n.a.	n.a.	n.a.	PMID[10924179]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11520216]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11908994]
NPO7546	Prunus domestica	Species	Rosaceae	Eukaryota	n.a.	kernel	n.a.	PMID[12232058]
NPO8035	Tylophora tanakae	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12350151]
NPO590	Malus domestica	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[13160012]
NPO3492	Negombata magnifica	Species	Latrunculiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[15217296]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Seeds	n.a.	n.a.	PMID[15620261]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15679315]
NPO13961	Pieris japonica	Species	Ericaceae	Eukaryota	n.a.	leaf	n.a.	PMID[15787442]
NPO13961	Pieris japonica	Species	Ericaceae	Eukaryota	leaves	n.a.	n.a.	PMID[15787442]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16252923]
NPO11578	Aloe vera	Species	Xanthorrhoeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16297615]
NPO3492	Negombata magnifica	Species	Latrunculiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[16499319]
NPO10900	Cinnamomum subavenium	Species	Lauraceae	Eukaryota	stems	Wulai Hsiang, Taipei County, Taiwan	2005-MAY	PMID[17253858]
NPO13478	Scorzonera pseudodivaricata	Species	Asteraceae	Eukaryota	n.a.	Mongolian	n.a.	PMID[17542634]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	cone	n.a.	PMID[17624889]
NPO4795	Prunus armeniaca	Species	Rosaceae	Eukaryota	Fruits	Malatya Fruit Research Institute	between the first and third weeks of 2005-Jul.	PMID[18038980]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	root	n.a.	PMID[1823989]
NPO3492	Negombata magnifica	Species	Latrunculiidae	Eukaryota	n.a.	sand-covered bottom at -10 to -15 m at Hurghada, on the Egyptian Red Sea coast	2003-JUN	PMID[18298079]
NPO11578	Aloe vera	Species	Xanthorrhoeaceae	Eukaryota	n.a.	whole plant	n.a.	PMID[18543151]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18611049]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18768384]
NPO3492	Negombata magnifica	Species	Latrunculiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[18942825]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19476340]
NPO2298	Streptomyces platensis	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[19581087]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		PMID[19628108]
NPO2298	Streptomyces platensis	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[20299229]
NPO4138	Betula platyphylla	Species	Betulaceae	Eukaryota	bark	n.a.	n.a.	PMID[20363129]
NPO12855	Alkanna cappadocica	Species	Boraginaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20405844]
NPO2298	Streptomyces platensis	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[21214253]
NPO29209	Litchi chinensis	Species	Sapindaceae	Eukaryota	n.a.	seed	n.a.	PMID[21287989]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[21381697]
NPO7546	Prunus domestica	Species	Rosaceae	Eukaryota	n.a.	fruit	n.a.	PMID[21648406]
NPO590	Malus domestica	Species	Rosaceae	Eukaryota	n.a.	fruit	n.a.	PMID[21648406]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21912858]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	roots	Whitessence Srl, Viterbo, Italy	2005-OCT	PMID[21954959]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	n.a.	root	n.a.	PMID[21954959]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	cone	n.a.	PMID[22111577]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	flower	n.a.	PMID[22166201]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		PMID[22538527]
NPO10900	Cinnamomum subavenium	Species	Lauraceae	Eukaryota	Leaves	n.a.	n.a.	PMID[23025417]
NPO9305	Iotrochota purpurea	Species	Iotrochotidae	Eukaryota	n.a.	n.a.	n.a.	PMID[23131412]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	n.a.	seed	n.a.	PMID[23497864]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23790907]
NPO16230	Malus pumila	Species	Rosaceae	Eukaryota	n.a.	fruit	n.a.	PMID[240326]
NPO11578	Aloe vera	Species	Xanthorrhoeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24358188]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		PMID[24811150]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24948953]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25564559]
NPO10900	Cinnamomum subavenium	Species	Lauraceae	Eukaryota	stem bark	Laifeng, Hubei Province, China	2012-JUL	PMID[26087384]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		PMID[28274428]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29154541]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		PMID[30236698]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	Guangzhou, China		PMID[30563201]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		PMID[30583361]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		PMID[30599958]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		PMID[31159190]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31747281]
NPO13961	Pieris japonica	Species	Ericaceae	Eukaryota	Leaves	n.a.	n.a.	PMID[31809052]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	Seeds	n.a.		PMID[31861466]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	DingXi, GanSu, China	early autumn (from August to the beginning of September	PMID[32545196]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	LanZhou, GanSu, China	early autumn (from August to the beginning of September	PMID[32545196]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	Maturation	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	40 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	50 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	60 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	70 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	80 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	90 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	Maturation	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	10 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	20 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	30 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	40 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	50 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	60 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	70 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	10 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	80 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	20 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Seeds	Yangling, Shaanxi, China	90 days after pollination	PMID[33131958]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	Fruits	Yangling, Shaanxi, China	30 days after pollination	PMID[33131958]
NPO11699	Ecballium elaterium	Species	Cucurbitaceae	Eukaryota	Fruit juice	n.a.	n.a.	PMID[3404148]
NPO19198	Kalmia latifolia	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[521818]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[8594148]
NPO11578	Aloe vera	Species	Xanthorrhoeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[8778246]
NPO3204	Centaurea malacitana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[9358646]
NPO794	Lippia graveolens	Species	Verbenaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	Leaf	n.a.	n.a.	Database[FooDB]
NPO16230	Malus pumila	Species	Rosaceae	Eukaryota	Fruits	n.a.		Database[FooDB]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Pericarp	n.a.	n.a.	Database[FooDB]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	Fruits	n.a.		Database[FooDB]
NPO16230	Malus pumila	Species	Rosaceae	Eukaryota	Pericarp	n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO16230	Malus pumila	Species	Rosaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO4795	Prunus armeniaca	Species	Rosaceae	Eukaryota	Fruits	n.a.		Database[FooDB]
NPO16230	Malus pumila	Species	Rosaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO16230	Malus pumila	Species	Rosaceae	Eukaryota	Pollen Or Spore	n.a.	n.a.	Database[FooDB]
NPO7546	Prunus domestica	Species	Rosaceae	Eukaryota	Fruits	n.a.		Database[FooDB]
NPO4795	Prunus armeniaca	Species	Rosaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO794	Lippia graveolens	Species	Verbenaceae	Eukaryota	Root	n.a.	n.a.	Database[FooDB]
NPO7546	Prunus domestica	Species	Rosaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Root Bark	n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Bark	n.a.	n.a.	Database[FooDB]
NPO16230	Malus pumila	Species	Rosaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO4795	Prunus armeniaca	Species	Rosaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO16230	Malus pumila	Species	Rosaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO7546	Prunus domestica	Species	Rosaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO4795	Prunus armeniaca	Species	Rosaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	Seed	n.a.	n.a.	Database[FooDB]
NPO7546	Prunus domestica	Species	Rosaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO794	Lippia graveolens	Species	Verbenaceae	Eukaryota	Shoot	n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Stem Bark	n.a.	n.a.	Database[FooDB]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	Fruit	n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Twig	n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO19774	Rubus idaeus	Species	n.a.	n.a.		n.a.	n.a.	Database[FooDB]
NPO4795	Prunus armeniaca	Species	Rosaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO29209	Litchi chinensis	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7546	Prunus domestica	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13961	Pieris japonica	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5731	Euphorbia humifusa	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11578	Aloe vera	Species	Xanthorrhoeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19198	Kalmia latifolia	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO16230	Malus pumila	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4138	Betula platyphylla	Species	Betulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO2398	Millettia erythrocalyx	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[HerDing]
NPO3286	Erythrina americana	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4795	Prunus armeniaca	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11699	Ecballium elaterium	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7546	Prunus domestica	Species	Rosaceae	Eukaryota	Fruits	n.a.		Database[Phenol-Explorer]
NPO7546	Prunus domestica	Species	Rosaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	Fruits	n.a.		Database[Phenol-Explorer]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	n.a.	n.a.		Database[Phenol-Explorer]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Fruits	n.a.		Database[Phenol-Explorer]
NPO4795	Prunus armeniaca	Species	Rosaceae	Eukaryota	Fruits	n.a.		Database[Phenol-Explorer]
NPO590	Malus domestica	Species	Rosaceae	Eukaryota	Fruits	n.a.		Database[Phenol-Explorer]
NPO590	Malus domestica	Species	Rosaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO11699	Ecballium elaterium	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO590	Malus domestica	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4138	Betula platyphylla	Species	Betulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7546	Prunus domestica	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24390.1	Juniperus rigida var. conferta	Varieties	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16230	Malus pumila	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO3286	Erythrina americana	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29209	Litchi chinensis	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO2398	Millettia erythrocalyx	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9313	Fritillaria ningguoensis	Species	Liliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4795	Prunus armeniaca	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5731	Euphorbia humifusa	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19198	Kalmia latifolia	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1834	Atalantia racemosa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4916	Toxicodendron vernicifluum	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3199	Balanophora involucrata	Species	Balanophoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11578	Aloe vera	Species	Xanthorrhoeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13961	Pieris japonica	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9313	Fritillaria ningguoensis	Species	Liliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO4138	Betula platyphylla	Species	Betulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO11578	Aloe vera	Species	Xanthorrhoeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO3286	Erythrina americana	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO29209	Litchi chinensis	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO4795	Prunus armeniaca	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO19198	Kalmia latifolia	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[Title]
NPO4916	Toxicodendron vernicifluum	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29209	Litchi chinensis	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO11578	Aloe vera	Species	Xanthorrhoeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4138	Betula platyphylla	Species	Betulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4795	Prunus armeniaca	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO5731	Euphorbia humifusa	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO252	Hoffmannia strigillosa	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2922	Botryosphaeria berengeriana	Species	Botryosphaeriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2298	Streptomyces platensis	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO24390.1	Juniperus rigida var. conferta	Varieties	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3199	Balanophora involucrata	Species	Balanophoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3204	Centaurea malacitana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10900	Cinnamomum subavenium	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3628	Solanum aethiopicum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4493	Polygonum flaccidum	Species	Polygonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19198	Kalmia latifolia	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15252	Clathria prolifera	Species	Microcionidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13030	Artemisia dentata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9305	Iotrochota purpurea	Species	Iotrochotidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11553	Phebalium dentatum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20291	Phyllanthus oligospermus	Species	Phyllanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11811	Capparis ovata	Species	Capparaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3378	Alstonia undulifolia	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21830	Buddleja cordata	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14578	Prorocentrum micans	Species	Prorocentraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4916	Toxicodendron vernicifluum	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8477	Myristica cagayanensis	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1182	Croton montevidensis	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12855	Alkanna cappadocica	Species	Boraginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7709	Spiracantha cornifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5823	Helichrysum auriceps	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3736	Scrophularia koelzii	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9313	Fritillaria ningguoensis	Species	Liliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13408	Cordeauxia edulis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9672	Lotus ucrainicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13281	Salvia hispanica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24421	Agave salmiana	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12888	Echinus microtuberculatus	Species	Echinidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12700	Diospyros eriantha	Species	Ebenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3286	Erythrina americana	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12188	Datisca glomerata	Species	Datiscaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO761	Fagus fusca	Species	Fagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12308	Metridium senile	Species	Metridiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6180	Ocotea puberula	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5008	Hubertia tomentosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2608	Solanum andigena	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12436	Quercus imbricaria	Species	Fagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8870	Boehmeria tricuspis	Species	Urticaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13478	Scorzonera pseudodivaricata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6253	Conus pulicarius	Species	Conidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6360	Xenoacremonium recifei	Species	Nectriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12196	Buphane fischeri	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO3519	Gracilaria corticata	Species	Gracilariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9922	Myelobia smerintha	Species	Crambidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7546	Prunus domestica	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11578	Aloe vera	Species	Xanthorrhoeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15265	Paeonia rockii	Species	Paeoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11848	Lemaireocereus griseus	Species	Cactaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1834	Atalantia racemosa	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14617	Aloe hijazensis	Species	Asphodelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5731	Euphorbia humifusa	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11699	Ecballium elaterium	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5384	Ligustrum obtusifolium	Species	Oleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19774	Rubus idaeus	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO16230	Malus pumila	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26351	Agastache rugosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7045	Viviparus japonicus	Species	Viviparidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4795	Prunus armeniaca	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11256	Pseudowintera colorata	Species	Winteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13671	Ononis vaginalis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2398	Millettia erythrocalyx	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8928	Pteris semipinnata	Species	Pteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10737	Asteriscus aquaticus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12669	Cassine papillosa	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10393	Ophidiaster ophidianus	Species	Ophidiasteridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO794	Lippia graveolens	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5930	Crambe tatarica	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8035	Tylophora tanakae	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9934	Mycobacterium leprae	Species	Mycobacteriaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO29209	Litchi chinensis	Species	Sapindaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4138	Betula platyphylla	Species	Betulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12544	Dioscorea olfersiana	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3492	Negombata magnifica	Species	Latrunculiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13961	Pieris japonica	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9509	Charpentiera obovata	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10783	Syncarpia hillii	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO590	Malus domestica	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13585	Rapanea lancifolia	Species	Primulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16230	Malus pumila	Species	Rosaceae	Eukaryota	Fruit	n.a.	n.a.	Database[USDA]

☑ 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
NPO16230	NPC259182	Beverage (juice)	n.a.	1.375333319	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]
NPO7546	NPC259182	Beverage (juice)	n.a.	5.850000064	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]
NPO16230	NPC259182	Beverage (juice)	n.a.	1.531568482	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]
NPO21349	NPC259182	Beverage (juice)	n.a.	0.098846155	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]
NPO16230	NPC259182	Beverage (juice)	n.a.	2.496956488	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]
NPO794	NPC259182	Dried Or Powder	n.a.	135.9999975	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]
NPO16230	NPC259182	n.a.	n.a.	0.602499992	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]
NPO16230	NPC259182	n.a.	n.a.	2.37308696	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]
NPO16230	NPC259182	n.a.	n.a.	5.553999901	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]
NPO16230	NPC259182	n.a.	n.a.	2.75443853	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]
NPO16230	NPC259182	n.a.	n.a.	0.100000001	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]
NPO16230	NPC259182	n.a.	n.a.	0.231999993	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]
NPO16230	NPC259182	n.a.	n.a.	0.916000009	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]
NPO4795	NPC259182	n.a.	n.a.	0.027499999	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]
NPO16230	NPC259182	n.a.	n.a.	1.543626098	n.a.	n.a.	mg/100g	Database [PHENOL EXPLORER]
NPO11578	NPC259182	n.a.	Flowers	0.864	n.a.	n.a.	mg/g of DW	DOI[10.1007/s11130-020-00822-2]
NPO24421	NPC259182	n.a.	Flowers	1.167	n.a.	n.a.	mg/g of DW	DOI[10.1007/s11130-020-00822-2]
NPO3286	NPC259182	n.a.	Flowers	3.204	n.a.	n.a.	mg/g of DW	DOI[10.1007/s11130-020-00822-2]
NPO3506	NPC259182	n.a.	Flowers	20.9	n.a.	n.a.	mg/g of DW	DOI[10.1007/s11130-020-00822-2]
NPO590	NPC259182	n.a.	Fruits	0.1	n.a.	n.a.	mg/100g of FW	Database [Phenol-Explorer]
NPO590	NPC259182	n.a.	Fruits	0.23	n.a.	n.a.	mg/100g of FW	Database [Phenol-Explorer]
NPO590	NPC259182	n.a.	Fruits	0.91	n.a.	n.a.	mg/100g of FW	Database [Phenol-Explorer]
NPO590	NPC259182	n.a.	Fruits	1.54339	n.a.	n.a.	mg/100g of FW	Database [Phenol-Explorer]
NPO590	NPC259182	n.a.	Fruits	2.49696	n.a.	n.a.	mg/100g of FW	Database [Phenol-Explorer]
NPO590	NPC259182	n.a.	Fruits	2.68982	n.a.	n.a.	mg/100g of FW	Database [Phenol-Explorer]
NPO15265	NPC259182	n.a.	Fruits	0.31 ± 0.02	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Fruits	0.46 ± 0.01	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Fruits	0.62 ± 0.02	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Fruits	0.79 ± 0.06	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Fruits	0.25 ± 0.06	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Fruits	0.42 ± 0.02	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Fruits	0.32 ± 0.04	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Fruits	0.87 ± 0.01	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO21349	NPC259182	n.a.	n.a.	0.09585	n.a.	n.a.	mg/100mL	Database [Phenol-Explorer]
NPO590	NPC259182	n.a.	n.a.	0.6025	n.a.	n.a.	mg/100mL	Database [Phenol-Explorer]
NPO590	NPC259182	n.a.	n.a.	1.37167	n.a.	n.a.	mg/100mL	Database [Phenol-Explorer]
NPO590	NPC259182	n.a.	n.a.	1.52841	n.a.	n.a.	mg/100mL	Database [Phenol-Explorer]
NPO590	NPC259182	n.a.	n.a.	2.68122	n.a.	n.a.	mg/100mL	Database [Phenol-Explorer]
NPO7546	NPC259182	n.a.	n.a.	5.85	n.a.	n.a.	mg/100mL	Database [Phenol-Explorer]
NPO15265	NPC259182	n.a.	Seeds	2.02 ± 0.15	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Seeds	3.45 ± 0.03	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Seeds	7.08 ± 0.05a	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Seeds	6.75 ± 0.03	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Seeds	6.72 ± 0.11	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Seeds	4.55 ± 0.15	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Seeds	3.77 ± 0.23	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Seeds	3.59 ± 0.14	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Seeds	0.43 ± 0.14	n.a.	n.a.	mg/100g of DW	PMID[33131958]
NPO15265	NPC259182	n.a.	Seeds	0.14 ± 0.01	n.a.	n.a.	mg/100g of DW	PMID[33131958]

☑ 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	13
ED50	1
IC50	42
Ki	4
Others	56
Potency	2

Activity Type	# Activity
Cell Line	3
Individual Protein	70
NON-MOLECULAR	11
Organism	3
Others	29
SINGLE PROTEIN	1
Tissue	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	Ki	=	180.0	nM	PMID[490823]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	IC50	=	200.0	nM	PMID[490824]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	IC50	=	100.0	nM	PMID[490824]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	EC50	=	35.6	nM	PMID[490825]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	EC50	=	330.0	nM	PMID[490825]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	Inhibition	=	30.0	%	PMID[490826]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	IC50	=	752.0	nM	PMID[490827]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	EC50	=	35.0	nM	PMID[490828]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	Ki	=	18.6	nM	PMID[490828]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	EC50	=	35.0	nM	PMID[490829]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	EC50	=	160.0	nM	PMID[490829]
NPT2875	Individual Protein	Solute carrier family 28 member 3	Homo sapiens	Ki	=	16000.0	nM	PMID[490830]
NPT2877	Individual Protein	Sodium/nucleoside cotransporter 1	Homo sapiens	IC50	=	250000.0	nM	PMID[490830]
NPT2876	Individual Protein	Sodium/nucleoside cotransporter 2	Homo sapiens	IC50	=	100000.0	nM	PMID[490830]
NPT2879	Individual Protein	Equilibrative nucleoside transporter 1	Homo sapiens	Ki	>	1000000.0	nM	PMID[490830]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	IC50	=	210.0	nM	PMID[490833]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	Inhibition	=	50.0	%	PMID[490834]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	Inhibition	=	80.0	%	PMID[490834]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	IC50	=	200000.0	nM	PMID[490835]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	IC50	=	100000.0	nM	PMID[490835]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	IC50	=	246.0	nM	PMID[490836]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	IC50	=	27.8	nM	PMID[490836]
NPT151	Individual Protein	15-hydroxyprostaglandin dehydrogenase [NAD+]	Homo sapiens	Potency	=	35481.3	nM	PMID[490837]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	EC50	=	108.0	nM	PMID[490838]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	EC50	=	197.4	nM	PMID[490838]
NPT443	Individual Protein	Histone acetyltransferase GCN5	Homo sapiens	Potency	n.a.	316.2	nM	PMID[490837]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	IC50	=	36.0	nM	PMID[490840]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	IC50	=	330.0	nM	PMID[490840]
NPT5493	Individual Protein	Low affinity sodium-glucose cotransporter	Homo sapiens	IC50	=	16.0	nM	PMID[490841]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	IC50	=	190.0	nM	PMID[490841]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	IC50	=	16.0	nM	PMID[490843]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	IC50	=	190.0	nM	PMID[490843]
NPT5494	Individual Protein	Sodium/glucose cotransporter 2	Rattus norvegicus	IC50	=	96.0	nM	PMID[490845]
NPT5495	Individual Protein	Sodium/glucose cotransporter 1	Rattus norvegicus	IC50	=	350.0	nM	PMID[490845]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	IC50	=	38.0	nM	PMID[490845]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	IC50	=	536.0	nM	PMID[490845]
NPT66	Individual Protein	Acetylcholinesterase	Electrophorus electricus	Inhibition	=	-6.94	%	PMID[490846]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	IC50	=	185.0	nM	PMID[490847]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	IC50	=	16.4	nM	PMID[490847]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	EC50	=	120.0	nM	PMID[490849]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	EC50	=	77.0	nM	PMID[490849]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	IC50	=	60.7	nM	PMID[490851]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	IC50	=	58.6	nM	PMID[490851]
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	14400.0	nM	PMID[490853]
NPT113	Cell Line	RAW264.7	Mus musculus	Inhibition	=	21.5	%	PMID[490853]
NPT2876	Individual Protein	Sodium/nucleoside cotransporter 2	Homo sapiens	IC50	>	1000000.0	nM	PMID[490854]
NPT2876	Individual Protein	Sodium/nucleoside cotransporter 2	Homo sapiens	Inhibition	<	50.0	%	PMID[490854]
NPT2876	Individual Protein	Sodium/nucleoside cotransporter 2	Homo sapiens	Inhibition	=	14.0	%	PMID[490854]
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	47.73	%	PMID[490855]
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	31.39	%	PMID[490855]
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	45.26	%	PMID[490855]
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	52.7	%	PMID[490855]
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	34.02	%	PMID[490855]
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	9.0	%	PMID[490855]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	EC50	=	123.0	nM	PMID[490857]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	EC50	=	153.0	nM	PMID[490857]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	IC50	=	67.3	nM	PMID[490859]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	IC50	=	499.0	nM	PMID[490859]
NPT1120	Individual Protein	Pancreatic triacylglycerol lipase	Sus scrofa	IC50	=	29.8	ug.mL-1	PMID[490860]
NPT1120	Individual Protein	Pancreatic triacylglycerol lipase	Sus scrofa	IC50	>	300000.0	nM	PMID[490860]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	EC50	=	79.0	nM	PMID[490861]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	EC50	=	240.0	nM	PMID[490861]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	IC50	=	210.0	nM	PMID[490862]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	IC50	=	34.6	nM	PMID[490862]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	IC50	=	160.0	nM	PMID[490863]
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	14600.0	nM	PMID[490864]
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	IC50	=	210.0	nM	PMID[490867]
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	IC50	=	34.6	nM	PMID[490867]
NPT2	Others	Unspecified		Inhibition	=	11.9	%	PMID[490822]
NPT2	Others	Unspecified		Ratio EC50	=	10.0	n.a.	PMID[490825]
NPT2	Others	Unspecified		Ratio	=	10.0	n.a.	PMID[490828]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	80.0	mg	PMID[490828]
NPT2	Others	Unspecified		Selectivity ratio	=	10.0	n.a.	PMID[490829]
NPT2	Others	Unspecified		Selectivity ratio	=	1.0	n.a.	PMID[490829]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	47.0	%	PMID[490831]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	100.0	%	PMID[490831]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	ED50	=	100.0	ug ml-1	PMID[490831]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	30.48	10'-3cpm	PMID[490832]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	32.42	10'-3cpm	PMID[490832]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	33.02	10'-3cpm	PMID[490832]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	35.51	10'-3cpm	PMID[490832]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	36.14	10'-3cpm	PMID[490832]
NPT2	Others	Unspecified		Ratio IC50	=	5.6	n.a.	PMID[490833]
NPT2	Others	Unspecified		Ratio IC50	=	8.8	n.a.	PMID[490836]
NPT2	Others	Unspecified		Ratio EC50	=	1.8	n.a.	PMID[490838]
NPT2	Others	Unspecified		IC50	=	17000.0	nM	PMID[490839]
NPT2	Others	Unspecified		IC50	=	340000.0	nM	PMID[490839]
NPT2	Others	Unspecified		Ratio IC50	=	12.0	n.a.	PMID[490841]
NPT1765	Tissue	Intestine	Rattus norvegicus	Inhibition	=	100.0	%	PMID[490842]
NPT2	Others	Unspecified		Ratio IC50	=	12.0	n.a.	PMID[490843]
NPT2	Others	Unspecified		IC50	=	60500.0	nM	PMID[490844]
NPT2	Others	Unspecified		Ratio IC50	=	0.27	n.a.	PMID[490845]
NPT2	Others	Unspecified		Ratio IC50	=	0.071	n.a.	PMID[490845]
NPT67	Individual Protein	Cholinesterase	Equus caballus	Inhibition	=	5.38	%	PMID[490846]
NPT2	Others	Unspecified		Ratio IC50	=	11.0	n.a.	PMID[490847]
NPT2	Others	Unspecified		Inhibition	=	16.56	%	PMID[490848]
NPT2	Others	Unspecified		Inhibition	=	0.0	%	PMID[490848]
NPT1	Others	Radical scavenging activity		IC50	=	1488900.0	nM	PMID[490848]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	120.2	umol/L	PMID[490848]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	166.3	umol/L	PMID[490848]
NPT2	Others	Unspecified		Ratio EC50	=	1.6	n.a.	PMID[490849]
NPT72	Individual Protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	106.28	%	PMID[490850]
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	50.32	%	PMID[490850]
NPT2	Others	Unspecified		Ratio IC50	=	1.04	n.a.	PMID[490851]
NPT2	Others	Unspecified		IC50	=	160.0	nM	PMID[490852]
NPT862	Individual Protein	Epoxide hydratase	Homo sapiens	Inhibition	>	40.0	%	PMID[490853]
NPT862	Individual Protein	Epoxide hydratase	Homo sapiens	IC50	=	41720.0	nM	PMID[490853]
NPT2	Others	Unspecified		Ratio EC50	=	1.0	n.a.	PMID[490857]
NPT2	Others	Unspecified		Qmax	=	80.0	%	PMID[490858]
NPT2	Others	Unspecified		Qmax	=	67.0	%	PMID[490858]
NPT2	Others	Unspecified		Ratio IC50	=	7.4	n.a.	PMID[490859]
NPT2	Others	Unspecified		Ratio EC50	=	3.0	n.a.	PMID[490861]
NPT2	Others	Unspecified		Ratio IC50	=	6.0	n.a.	PMID[490862]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	3.03	%	PMID[490865]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.07	%	PMID[490866]

☑ 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 NPC259182 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	379
0.1-0.2	1492
0.2-0.3	3561
0.3-0.4	8762
0.4-0.5	9722
0.5-0.6	4172
0.6-0.7	5257
0.7-0.8	5834
0.8-0.85	2275
0.85-0.9	1032
0.9-0.95	174
0.95-1	37

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC121001
0.9932	High Similarity	NPC106625
0.9864	High Similarity	NPC99233
0.9864	High Similarity	NPC72649
0.9864	High Similarity	NPC26195
0.9864	High Similarity	NPC169248
0.9864	High Similarity	NPC39351
0.9864	High Similarity	NPC97052
0.9863	High Similarity	NPC88484
0.9863	High Similarity	NPC259767
0.9797	High Similarity	NPC206378
0.9797	High Similarity	NPC127406
0.9797	High Similarity	NPC170475
0.9796	High Similarity	NPC39360
0.9796	High Similarity	NPC29763
0.9796	High Similarity	NPC143851
0.9796	High Similarity	NPC83283
0.9796	High Similarity	NPC210003
0.9732	High Similarity	NPC161749
0.9732	High Similarity	NPC197896
0.9732	High Similarity	NPC6985
0.9732	High Similarity	NPC156457
0.9732	High Similarity	NPC23817
0.9732	High Similarity	NPC258035
0.9732	High Similarity	NPC43638
0.9732	High Similarity	NPC313163
0.973	High Similarity	NPC95090
0.973	High Similarity	NPC27408
0.9667	High Similarity	NPC73511
0.9667	High Similarity	NPC308265
0.9664	High Similarity	NPC203500
0.9664	High Similarity	NPC149368
0.9664	High Similarity	NPC307938
0.9664	High Similarity	NPC323593
0.9664	High Similarity	NPC265480
0.9603	High Similarity	NPC246469
0.9603	High Similarity	NPC200708
0.9603	High Similarity	NPC271479
0.9603	High Similarity	NPC472320
0.9603	High Similarity	NPC142860
0.9603	High Similarity	NPC271270
0.9603	High Similarity	NPC153342
0.9603	High Similarity	NPC97285
0.96	High Similarity	NPC108831
0.96	High Similarity	NPC473512
0.96	High Similarity	NPC129827
0.96	High Similarity	NPC77672
0.96	High Similarity	NPC182634
0.96	High Similarity	NPC65003
0.96	High Similarity	NPC54802
0.96	High Similarity	NPC60966
0.96	High Similarity	NPC197304
0.96	High Similarity	NPC78263
0.96	High Similarity	NPC122809
0.96	High Similarity	NPC133671
0.96	High Similarity	NPC44931
0.96	High Similarity	NPC135391
0.9592	High Similarity	NPC106025
0.9592	High Similarity	NPC191154
0.9592	High Similarity	NPC477240
0.9592	High Similarity	NPC214454
0.9589	High Similarity	NPC199335
0.9539	High Similarity	NPC303913
0.9539	High Similarity	NPC47923
0.9536	High Similarity	NPC472459
0.9536	High Similarity	NPC111929
0.9536	High Similarity	NPC320283
0.9536	High Similarity	NPC473634
0.9536	High Similarity	NPC138811
0.9536	High Similarity	NPC22062
0.9536	High Similarity	NPC41121
0.9533	High Similarity	NPC261866
0.9533	High Similarity	NPC45165
0.953	High Similarity	NPC78021
0.953	High Similarity	NPC87304
0.953	High Similarity	NPC268950
0.953	High Similarity	NPC211158
0.953	High Similarity	NPC108706
0.9527	High Similarity	NPC190217
0.9527	High Similarity	NPC134819
0.9521	High Similarity	NPC23084
0.9477	High Similarity	NPC131745
0.9477	High Similarity	NPC472876
0.9477	High Similarity	NPC259834
0.9477	High Similarity	NPC44947
0.9477	High Similarity	NPC127782
0.9477	High Similarity	NPC300537
0.9477	High Similarity	NPC190450
0.9474	High Similarity	NPC471079
0.9474	High Similarity	NPC136761
0.9474	High Similarity	NPC470405
0.9474	High Similarity	NPC187379
0.9474	High Similarity	NPC473623
0.9474	High Similarity	NPC304741
0.947	High Similarity	NPC288084
0.9467	High Similarity	NPC470605
0.9467	High Similarity	NPC470603
0.9467	High Similarity	NPC470604
0.9459	High Similarity	NPC213723
0.9416	High Similarity	NPC29830
0.9416	High Similarity	NPC66087
0.9416	High Similarity	NPC183672
0.9416	High Similarity	NPC278419
0.9416	High Similarity	NPC257566
0.9416	High Similarity	NPC124155
0.9416	High Similarity	NPC179198
0.9412	High Similarity	NPC470125
0.9412	High Similarity	NPC473438
0.9412	High Similarity	NPC265885
0.9412	High Similarity	NPC276377
0.9412	High Similarity	NPC270675
0.9412	High Similarity	NPC224530
0.9412	High Similarity	NPC135846
0.9412	High Similarity	NPC477628
0.9412	High Similarity	NPC215710
0.9412	High Similarity	NPC210961
0.9412	High Similarity	NPC159579
0.9412	High Similarity	NPC64305
0.9412	High Similarity	NPC249281
0.9412	High Similarity	NPC181465
0.9412	High Similarity	NPC116458
0.9412	High Similarity	NPC246943
0.9412	High Similarity	NPC259957
0.9412	High Similarity	NPC472994
0.9412	High Similarity	NPC173582
0.9412	High Similarity	NPC139320
0.9412	High Similarity	NPC297987
0.9412	High Similarity	NPC48093
0.9412	High Similarity	NPC476215
0.9412	High Similarity	NPC216496
0.9412	High Similarity	NPC477629
0.9412	High Similarity	NPC101636
0.9412	High Similarity	NPC170052
0.9412	High Similarity	NPC253788
0.9412	High Similarity	NPC282169
0.9412	High Similarity	NPC85707
0.9412	High Similarity	NPC195685
0.9412	High Similarity	NPC163242
0.9412	High Similarity	NPC129217
0.9408	High Similarity	NPC43761
0.9404	High Similarity	NPC295613
0.9404	High Similarity	NPC473657
0.9388	High Similarity	NPC218685
0.9388	High Similarity	NPC302989
0.9355	High Similarity	NPC165720
0.9351	High Similarity	NPC77660
0.9351	High Similarity	NPC475382
0.9351	High Similarity	NPC27942
0.9351	High Similarity	NPC150164
0.9351	High Similarity	NPC240306
0.9351	High Similarity	NPC189142
0.9351	High Similarity	NPC298171
0.9342	High Similarity	NPC470606
0.9329	High Similarity	NPC38775
0.9295	High Similarity	NPC5778
0.9295	High Similarity	NPC70441
0.9295	High Similarity	NPC236934
0.929	High Similarity	NPC473644
0.929	High Similarity	NPC121703
0.929	High Similarity	NPC168822
0.929	High Similarity	NPC243930
0.929	High Similarity	NPC88043
0.929	High Similarity	NPC311850
0.929	High Similarity	NPC88023
0.929	High Similarity	NPC19709
0.929	High Similarity	NPC270335
0.929	High Similarity	NPC80068
0.929	High Similarity	NPC191306
0.929	High Similarity	NPC309025
0.9281	High Similarity	NPC470607
0.9281	High Similarity	NPC104677
0.9267	High Similarity	NPC470771
0.9267	High Similarity	NPC477897
0.9267	High Similarity	NPC23253
0.9267	High Similarity	NPC471289
0.9267	High Similarity	NPC328740
0.9267	High Similarity	NPC289774
0.9267	High Similarity	NPC209846
0.9257	High Similarity	NPC211466
0.9257	High Similarity	NPC44721
0.9257	High Similarity	NPC40086
0.9257	High Similarity	NPC3779
0.9257	High Similarity	NPC176869
0.9257	High Similarity	NPC476182
0.9257	High Similarity	NPC122828
0.9252	High Similarity	NPC279417
0.9252	High Similarity	NPC208176
0.9252	High Similarity	NPC306607
0.9252	High Similarity	NPC49130
0.9252	High Similarity	NPC142731
0.9252	High Similarity	NPC62290
0.9252	High Similarity	NPC326506
0.9252	High Similarity	NPC4152
0.9236	High Similarity	NPC229729
0.9236	High Similarity	NPC160156
0.9236	High Similarity	NPC92565
0.9236	High Similarity	NPC45400
0.9231	High Similarity	NPC277205
0.9231	High Similarity	NPC22832
0.9231	High Similarity	NPC85751

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 NPC259182 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	330
0.1-0.2	849
0.2-0.3	1701
0.3-0.4	2676
0.4-0.5	1927
0.5-0.6	1097
0.6-0.7	366
0.7-0.8	155
0.8-0.85	33
0.85-0.9	14
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9732	High Similarity	NPD4381	Clinical (unspecified phase)
0.9177	High Similarity	NPD7804	Clinical (unspecified phase)
0.9119	High Similarity	NPD7074	Phase 3
0.9114	High Similarity	NPD3818	Discontinued
0.9073	High Similarity	NPD4380	Phase 2
0.9057	High Similarity	NPD7054	Approved
0.9034	High Similarity	NPD1552	Clinical (unspecified phase)
0.9034	High Similarity	NPD1550	Clinical (unspecified phase)
0.9	High Similarity	NPD7472	Approved
0.8973	High Similarity	NPD1549	Phase 2
0.8944	High Similarity	NPD6797	Phase 2
0.8889	High Similarity	NPD7251	Discontinued
0.8846	High Similarity	NPD7075	Discontinued
0.8834	High Similarity	NPD4338	Clinical (unspecified phase)
0.8834	High Similarity	NPD7808	Phase 3
0.8831	High Similarity	NPD1934	Approved
0.8774	High Similarity	NPD2393	Clinical (unspecified phase)
0.8773	High Similarity	NPD6559	Discontinued
0.871	High Similarity	NPD6801	Discontinued
0.8654	High Similarity	NPD7096	Clinical (unspecified phase)
0.8634	High Similarity	NPD6167	Clinical (unspecified phase)
0.8634	High Similarity	NPD6166	Phase 2
0.8634	High Similarity	NPD6168	Clinical (unspecified phase)
0.8618	High Similarity	NPD4378	Clinical (unspecified phase)
0.8553	High Similarity	NPD6799	Approved
0.8526	High Similarity	NPD7411	Suspended
0.8514	High Similarity	NPD1510	Phase 2
0.8506	High Similarity	NPD5403	Approved
0.8481	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8456	Intermediate Similarity	NPD2796	Approved
0.8431	Intermediate Similarity	NPD1511	Approved
0.8428	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8418	Intermediate Similarity	NPD2801	Approved
0.8377	Intermediate Similarity	NPD5401	Approved
0.8377	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8367	Intermediate Similarity	NPD1240	Approved
0.8365	Intermediate Similarity	NPD3817	Phase 2
0.8344	Intermediate Similarity	NPD6599	Discontinued
0.8323	Intermediate Similarity	NPD1512	Approved
0.8302	Intermediate Similarity	NPD7819	Suspended
0.8255	Intermediate Similarity	NPD1607	Approved
0.825	Intermediate Similarity	NPD5402	Approved
0.8199	Intermediate Similarity	NPD3882	Suspended
0.811	Intermediate Similarity	NPD6959	Discontinued
0.8072	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8047	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD8313	Approved
0.8012	Intermediate Similarity	NPD8312	Approved
0.8	Intermediate Similarity	NPD4628	Phase 3
0.8	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD3750	Approved
0.8	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7974	Intermediate Similarity	NPD1551	Phase 2
0.7963	Intermediate Similarity	NPD8455	Phase 2
0.7939	Intermediate Similarity	NPD5494	Approved
0.7935	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7927	Intermediate Similarity	NPD3749	Approved
0.7923	Intermediate Similarity	NPD7584	Approved
0.7875	Intermediate Similarity	NPD1653	Approved
0.787	Intermediate Similarity	NPD3751	Discontinued
0.7866	Intermediate Similarity	NPD7768	Phase 2
0.7862	Intermediate Similarity	NPD1091	Approved
0.7844	Intermediate Similarity	NPD3787	Discontinued
0.7844	Intermediate Similarity	NPD6232	Discontinued
0.7824	Intermediate Similarity	NPD5844	Phase 1
0.7812	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7811	Intermediate Similarity	NPD7473	Discontinued
0.7784	Intermediate Similarity	NPD7199	Phase 2
0.7763	Intermediate Similarity	NPD1613	Approved
0.7763	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7756	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7744	Intermediate Similarity	NPD1465	Phase 2
0.774	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7712	Intermediate Similarity	NPD1933	Approved
0.7707	Intermediate Similarity	NPD2800	Approved
0.7692	Intermediate Similarity	NPD6779	Approved
0.7692	Intermediate Similarity	NPD6782	Approved
0.7692	Intermediate Similarity	NPD6778	Approved
0.7692	Intermediate Similarity	NPD6776	Approved
0.7692	Intermediate Similarity	NPD6777	Approved
0.7692	Intermediate Similarity	NPD6780	Approved
0.7692	Intermediate Similarity	NPD6781	Approved
0.7677	Intermediate Similarity	NPD7033	Discontinued
0.7677	Intermediate Similarity	NPD3748	Approved
0.7662	Intermediate Similarity	NPD6651	Approved
0.7651	Intermediate Similarity	NPD1203	Approved
0.763	Intermediate Similarity	NPD5953	Discontinued
0.7628	Intermediate Similarity	NPD2935	Discontinued
0.7624	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7616	Intermediate Similarity	NPD7286	Phase 2
0.7616	Intermediate Similarity	NPD6832	Phase 2
0.7593	Intermediate Similarity	NPD920	Approved
0.7588	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD2533	Approved
0.7578	Intermediate Similarity	NPD2534	Approved
0.7578	Intermediate Similarity	NPD2532	Approved
0.7578	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD37	Approved
0.7568	Intermediate Similarity	NPD7435	Discontinued
0.7562	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.756	Intermediate Similarity	NPD6234	Discontinued
0.7558	Intermediate Similarity	NPD7228	Approved
0.7553	Intermediate Similarity	NPD8151	Discontinued
0.7545	Intermediate Similarity	NPD4966	Approved
0.7545	Intermediate Similarity	NPD4967	Phase 2
0.7545	Intermediate Similarity	NPD4965	Approved
0.7543	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD943	Approved
0.7516	Intermediate Similarity	NPD6798	Discontinued
0.7516	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD2313	Discontinued
0.75	Intermediate Similarity	NPD7585	Approved
0.75	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7458	Discontinued
0.75	Intermediate Similarity	NPD1610	Phase 2
0.75	Intermediate Similarity	NPD4908	Phase 1
0.7486	Intermediate Similarity	NPD7685	Pre-registration
0.7484	Intermediate Similarity	NPD1243	Approved
0.7484	Intermediate Similarity	NPD1652	Phase 2
0.7483	Intermediate Similarity	NPD2798	Approved
0.7474	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7474	Intermediate Similarity	NPD7783	Phase 2
0.7473	Intermediate Similarity	NPD7697	Approved
0.7473	Intermediate Similarity	NPD7698	Approved
0.7473	Intermediate Similarity	NPD7696	Phase 3
0.7469	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD2344	Approved
0.7466	Intermediate Similarity	NPD1548	Phase 1
0.7452	Intermediate Similarity	NPD2799	Discontinued
0.7447	Intermediate Similarity	NPD7583	Approved
0.7434	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7433	Intermediate Similarity	NPD7871	Phase 2
0.7433	Intermediate Similarity	NPD7870	Phase 2
0.7419	Intermediate Similarity	NPD6823	Phase 2
0.7418	Intermediate Similarity	NPD4363	Phase 3
0.7418	Intermediate Similarity	NPD6534	Approved
0.7418	Intermediate Similarity	NPD4360	Phase 2
0.7418	Intermediate Similarity	NPD6535	Approved
0.741	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD7701	Phase 2
0.7405	Intermediate Similarity	NPD6099	Approved
0.7405	Intermediate Similarity	NPD6100	Approved
0.7403	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD3268	Approved
0.7394	Intermediate Similarity	NPD3226	Approved
0.7389	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7384	Intermediate Similarity	NPD3926	Phase 2
0.7372	Intermediate Similarity	NPD5124	Phase 1
0.7372	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7358	Intermediate Similarity	NPD7266	Discontinued
0.7355	Intermediate Similarity	NPD6233	Phase 2
0.7353	Intermediate Similarity	NPD919	Approved
0.7338	Intermediate Similarity	NPD3027	Phase 3
0.7333	Intermediate Similarity	NPD9717	Approved
0.733	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD7874	Approved
0.7318	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD2797	Approved
0.7297	Intermediate Similarity	NPD7700	Phase 2
0.7297	Intermediate Similarity	NPD7699	Phase 2
0.7292	Intermediate Similarity	NPD7801	Approved
0.7284	Intermediate Similarity	NPD6190	Approved
0.7284	Intermediate Similarity	NPD2309	Approved
0.7278	Intermediate Similarity	NPD8434	Phase 2
0.7267	Intermediate Similarity	NPD1247	Approved
0.7267	Intermediate Similarity	NPD422	Phase 1
0.7261	Intermediate Similarity	NPD6355	Discontinued
0.7261	Intermediate Similarity	NPD230	Phase 1
0.7256	Intermediate Similarity	NPD4662	Approved
0.7256	Intermediate Similarity	NPD4661	Approved
0.725	Intermediate Similarity	NPD2346	Discontinued
0.7241	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7237	Intermediate Similarity	NPD3225	Approved
0.7222	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7205	Intermediate Similarity	NPD2424	Discontinued
0.7195	Intermediate Similarity	NPD7390	Discontinued
0.7191	Intermediate Similarity	NPD7240	Approved
0.7186	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7174	Intermediate Similarity	NPD6212	Phase 3
0.7174	Intermediate Similarity	NPD6213	Phase 3
0.7174	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD4978	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD7097	Phase 1
0.716	Intermediate Similarity	NPD2654	Approved
0.7158	Intermediate Similarity	NPD8320	Phase 1
0.7158	Intermediate Similarity	NPD8319	Approved
0.7152	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD447	Suspended
0.7128	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD5710	Approved
0.7126	Intermediate Similarity	NPD5711	Approved
0.7125	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD4308	Phase 3
0.7114	Intermediate Similarity	NPD9545	Approved
0.7097	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD2861	Phase 2
0.7097	Intermediate Similarity	NPD4361	Phase 2
0.7092	Intermediate Similarity	NPD7930	Approved
0.7088	Intermediate Similarity	NPD8150	Discontinued

Bioactivity similarity: Similar Natural Products in NPASS

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

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

A: chemistry similarity

B: biological targets similarity

C: networks similarity

D: cell-based bioactivity similarity

E: similarity based on clinical data