NPASS Compound

Natural Product: NPC314350

Natural Product ID	NPC314350
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	XUFXOAAUWZOOIT-UGEKTDRHSA-N
IUPAC Name	n.a.
Synonyms
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	n.a.
PubChem CID	41774
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0004603] Organic oxygen compounds [CHEMONTID:0000323] Organooxygen compounds [CHEMONTID:0000011] Carbohydrates and carbohydrate conjugates [CHEMONTID:0003305] Aminosaccharides [CHEMONTID:0000282] Aminoglycosides [CHEMONTID:0001675] Aminocyclitol glycosides

The Chemical Classification was calculated by Classyfire, a software for chemical taxonomy calculation. Reference: DOI:10.1186/s13321-016-0174-y.

Chemical Representations

RDKit 3D 87 90 0 0 0 0 0 0 0 0999 V2000 -2.8863 -1.6018 2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -1.1888 1.3955 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4106 -0.8565 0.4418 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7743 -0.6013 -0.9087 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0490 -1.9109 -1.2642 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8860 -1.9797 -0.2937 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5120 -2.2740 0.9492 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2831 -0.7537 -0.2624 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0938 -0.7344 -0.4260 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8078 -0.2290 0.8047 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3467 -1.3642 1.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3497 -2.2307 2.0405 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 0.6324 0.4297 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 0.1196 -0.4551 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0171 -0.0417 -1.7802 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5129 0.0363 -1.6546 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9973 -0.5834 -2.8025 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 0.9655 -2.6587 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7814 1.0662 -0.5717 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0088 0.5177 -0.2785 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8042 1.2268 0.7685 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1023 1.4053 2.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 2.2254 1.8869 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9235 0.4031 1.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7943 0.5884 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2093 -0.1328 -1.2367 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8549 0.5219 -1.5457 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2661 -0.2620 -2.5127 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0048 -0.0661 -2.3654 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0260 -0.0294 0.2367 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7016 -1.9909 -2.5849 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6887 -0.2650 -1.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0987 0.2378 1.0047 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2192 0.7625 0.3560 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3483 -0.1637 0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4458 0.3617 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6572 -0.4571 -0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7079 0.0822 0.0527 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4048 1.8219 -0.7185 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8691 2.6195 0.4525 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7787 1.9204 1.1962 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3046 1.3281 2.3597 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4445 3.8525 0.0017 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7275 2.2334 -0.9526 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7202 -2.3039 2.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2623 -0.7346 3.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -2.1098 3.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6465 -0.2789 1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0141 -1.8063 0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0331 0.2123 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7609 -2.7294 -0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2242 -2.8372 -0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4177 -1.7826 -0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1407 0.3507 1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1126 -1.9533 1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 -0.9893 2.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3371 -3.0920 1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -0.8143 -0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 -1.0471 -2.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1577 1.0873 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6138 -0.3916 -3.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 0.5940 -3.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9415 -0.5599 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2058 2.1597 0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7862 1.8857 2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 0.4328 2.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 3.1357 2.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9932 1.6408 -0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0367 -1.1891 -0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 1.5647 -1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5105 -1.2013 -2.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6675 -0.8040 -2.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2137 -0.7871 -0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7702 -2.9527 -2.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3583 -0.6516 -2.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5773 0.8727 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9360 1.2296 -0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3487 -1.2162 0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9361 -0.4547 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4250 -1.5002 -0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7241 -0.4111 0.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8137 2.0470 -1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7574 2.7885 1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9551 2.5739 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6891 0.6219 2.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2474 4.2965 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0441 1.8928 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 15 18 1 0 14 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 25 30 1 0 5 31 1 0 4 32 1 0 3 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 36 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 40 43 1 0 39 44 1 0 7 2 1 0 16 9 1 0 27 20 1 0 41 34 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 1 3 49 1 6 4 50 1 1 5 51 1 1 6 52 1 6 9 53 1 6 10 54 1 1 11 55 1 0 11 56 1 0 12 57 1 0 14 58 1 1 15 59 1 6 16 60 1 1 17 61 1 0 18 62 1 0 20 63 1 1 21 64 1 6 22 65 1 0 22 66 1 0 23 67 1 0 25 68 1 0 26 69 1 1 27 70 1 6 28 71 1 0 29 72 1 0 30 73 1 0 31 74 1 0 32 75 1 0 33 76 1 0 34 77 1 6 35 78 1 0 37 79 1 0 37 80 1 0 38 81 1 0 39 82 1 6 40 83 1 1 41 84 1 1 42 85 1 0 43 86 1 0 44 87 1 0 M END

Standard InCHIKey	XUFXOAAUWZOOIT-UGEKTDRHSA-N
Standard InCHI	InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
SMILES	C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)OC([C@@H]([C@H]1O)O)O)O)O)N[C@H]1C=C(CO)[C@H]([C@@H]([C@H]1O)O)O

Calculated Properties

Physi-Chem Properties

Molecular Weight:	645.25	Volume:	573.315 ? Van der Waals volume.
Dense:	1.125	LogP:	-4.808 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	-3.652 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	0.533 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	9.0	Rigid Bonds:	24.0
TPSA:	321.17 ? Topological Polar Surface Area.	H-Bond Acceptor:	19.0
H-Bond Donor:	14.0	Rings:	4.0
Heavy Atoms:	19.0

MedChem Properties

QED Drug-Likeness Score:	0.103	GASA:	1.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	5.63	Fsp³:	0.92
MCE-18:	89.333 ? MCE-18 stands for medicinal chemistry evolution.MCE-18≥45 is considered a suitable value.	Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Rejected	GSK Rule:	Accepted
Golden Triangle Rule:	Accepted	BMS Rule:	1
Chelating Alert:	0	PAINS Alert:	0
Colloidal aggregators:	0.287	Fluc inhibitor:	0.0 ? The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:	0.048 ? The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1	Green fluorescence:	0.009 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.099	Promiscuous compounds:	0.02

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-7.085	MDCK Permeability:	-4.952
Pgp-inhibitor:	0.0	Pgp-substrate:	1.0
PAMPA:	1.0 ? The experimental data for Peff was logarithmically transformed (logPeff). Molecules with log Peff values below 2.0 were classified as low-permeability (Category 0), while those with log Peff values exceeding 2.5 were classified as high-permeability (Category 1).	Human Intestinal Absorption (HIA):	0.999
20% Bioavailability (F20%):	0.954	30% Bioavailability (F30%):	1.0
50% Bioavailability (F50%):	1.0

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.0	MRP1:	0.015
Plasma Protein Binding (PPB):	14.073%	Volume Distribution (VD):	-0.537
Fu:	96.321% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	0.0
OATP1B3 inhibitor:	0.0	BCRP inhibitor:	0.0
BSEP inhibitor:	0.0

ADMET: Metabolism

CYP1A2-inhibitor:	0.0	CYP1A2-substrate:	0.0
CYP2C19-inhibitor:	0.0	CYP2C19-substrate:	0.0
CYP2C9-inhibitor:	0.0	CYP2C9-substrate:	0.0
CYP2D6-inhibitor:	0.0	CYP2D6-substrate:	0.0
CYP3A4-inhibitor:	0.0	CYP3A4-substrate:	0.0
CYP2B6-substrate:	0.0	CYP2C8-inhibitor:	0.995
HLM stability:	0.046 ? Human liver microsomal (HLM) stability. Category 0: stable+ (HLM > 30 min); Category 1: unstable- (HLM ≤ 30 min). The output value is the probability of human liver microsomal instability, where a value closer to 1 indicates a higher likelihood of instability.

ADMET: Excretion

Clearance (CL):

0.044

Half-life (T1/2):

3.739

ADMET: Toxicity

hERG Blockers:	0.002	hERG Blockers (10um):	0.021
Human Hepatotoxicity (H-HT):	0.436	Drug-induced Liver Injury (DILI):	0.805
AMES Toxicity:	0.945	Rat Oral Acute Toxicity:	0.003
Maximum Recommended Daily Dose:	0.001	Skin Sensitization:	0.998
Carcinogencity:	0.011	Eye Corrosion:	0.0
Eye Irritation:	0.006	Respiratory Toxicity:	0.001
Drug-induced Neurotoxicity:	0.001	Ototoxicity:	0.999
Hematotoxicity:	0.445	Drug-induced Nephrotoxicity:	0.939
Genotoxicity:	0.051	RPMI-8226 Immunitoxicity:	0.238
A549 Cytotoxicity:	0.271	Hek293 Cytotoxicity:	0.051
BCF:	-0.028 ? Bioconcentration factors are used for considering secondary poisoning potential and assessing risks to human health via the food chain. The unit is -log10[(mg/L)/(1000*MW)].	IGC50:	1.529 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	3.281 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	2.251 ? 96 hour fathead minnow LC50. The unit of LC50FM is -log10[(mg/L)/(1000*MW)].

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO28813	Xylocarpus granatum	Species	Meliaceae	Eukaryota	n.a.	rind	n.a.	DOI[10.1002/hlca.200800177]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1007/s11164-015-2099-x]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.jarmap.2018.11.004]
NPO25472	Garcinia cowa	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1071/CH03175]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1134/S1021443711030101]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	n.a.	leaf	n.a.	PMID[11348221]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	fruit	n.a.	n.a.	PMID[15844957]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	fruits	n.a.	n.a.	PMID[16378361]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	root	n.a.	PMID[16441081]
NPO23720	Taxus wallichiana	Species	Taxaceae	Eukaryota	needles	Himalayan	n.a.	PMID[16480866]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16675659]
NPO28813	Xylocarpus granatum	Species	Meliaceae	Eukaryota	seeds	n.a.	n.a.	PMID[17323995]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	fruits	Tahiti	n.a.	PMID[17378609]
NPO28813	Xylocarpus granatum	Species	Meliaceae	Eukaryota	n.a.	bark	n.a.	PMID[17450509]
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]
NPO26333	Actinidia arguta	Species	Actinidiaceae	Eukaryota	n.a.	root	n.a.	PMID[18481026]
NPO25472	Garcinia cowa	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19299148]
NPO26333	Actinidia arguta	Species	Actinidiaceae	Eukaryota	n.a.	root	n.a.	PMID[19336935]
NPO28813	Xylocarpus granatum	Species	Meliaceae	Eukaryota	seed kernels	n.a.	n.a.	PMID[19908853]
NPO25472	Garcinia cowa	Species	Clusiaceae	Eukaryota	twigs	n.a.	n.a.	PMID[20058933]
NPO28813	Xylocarpus granatum	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20411928]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20476749]
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]
NPO14254	Kandelia candel	Species	Rhizophoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22823026]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	rhizome	n.a.	PMID[23713285]
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]
NPO299	Euphorbia ebracteolata	Species	Euphorbiaceae	Eukaryota	roots	n.a.	n.a.	PMID[24660966]
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]
NPO25472	Garcinia cowa	Species	Clusiaceae	Eukaryota	young fruits	Khokkhon, Tha Bo District, Nong Khai Province, Thailand	2011-Aug	PMID[25651042]
NPO25472	Garcinia cowa	Species	Clusiaceae	Eukaryota	flowers	Pakook, Muang District, Chiang Rai Province, Thailand	2013-Feb	PMID[25651042]
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]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	rhizomes	n.a.	n.a.	PMID[26296476]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26305406]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26841168]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27196335]
NPO40024	Arcytophyllum thymifolium	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27509358]
NPO40302	Preussia minimoides	Species	Sporormiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27673367]
NPO40445	Aspergillus flavipes HN4-13	Strain	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27933892]
NPO40412	Malbranchea flavorosea	Species	Myxotrichaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28060505]
NPO40332	Salvia chamaedryoides	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28186413]
NPO23720	Taxus wallichiana	Species	Taxaceae	Eukaryota	Stem Bark	n.a.	n.a.	PMID[28240909]
NPO40922	Salvia circinata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28422509]
NPO23720	Taxus wallichiana	Species	Taxaceae	Eukaryota	Roots	n.a.	n.a.	PMID[28581744]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	Rhizomes	n.a.	n.a.	PMID[29116780]
NPO299	Euphorbia ebracteolata	Species	Euphorbiaceae	Eukaryota	Roots	n.a.	n.a.	PMID[29148766]
NPO14254	Kandelia candel	Species	Rhizophoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29792702]
NPO41811	Streptomyces piomogeues OpieR [pieR]	Strain	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[30560207]
NPO40193	Machilus litseifolia	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30668111]
NPO15317	Desmos cochinchinensis	Species	Annonaceae	Eukaryota	Leaf; Twig	n.a.	n.a.	PMID[30835120]
NPO299	Euphorbia ebracteolata	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31184480]
NPO41087	Daldinia eschscholtzii HJ004	Strain	n.a.	Eukaryota	n.a.	n.a.	n.a.	PMID[31373815]
NPO40096	Dasymaschalon dasymaschalum	Species	Annonaceae	Eukaryota	Twigs	n.a.	n.a.	PMID[31661271]
NPO25472	Garcinia cowa	Species	Clusiaceae	Eukaryota	Leaves	n.a.	n.a.	PMID[31860303]
NPO28813	Xylocarpus granatum	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31895570]
NPO40411	Malbranchea circinata	Species	Myxotrichaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31898904]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	Fruits	n.a.	n.a.	PMID[32083868]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32196343]
NPO26333	Actinidia arguta	Species	Actinidiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32315181]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32807141]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36014413]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38821245]
NPO23720	Taxus wallichiana	Species	Taxaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[7264680]
NPO40922	Salvia circinata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO40302	Preussia minimoides	Species	Sporormiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO40412	Malbranchea flavorosea	Species	Myxotrichaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO40096	Dasymaschalon dasymaschalum	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO28813	Xylocarpus granatum	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO299	Euphorbia ebracteolata	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO25472	Garcinia cowa	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO23720	Taxus wallichiana	Species	Taxaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO26333	Actinidia arguta	Species	Actinidiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO41087	Daldinia eschscholtzii HJ004	Strain	n.a.	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14254	Kandelia candel	Species	Rhizophoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO40445	Aspergillus flavipes HN4-13	Strain	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15317	Desmos cochinchinensis	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23720	Taxus wallichiana	Species	Taxaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25472	Garcinia cowa	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26333	Actinidia arguta	Species	Actinidiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15317	Desmos cochinchinensis	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23720	Taxus wallichiana	Species	Taxaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO299	Euphorbia ebracteolata	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25472	Garcinia cowa	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14254	Kandelia candel	Species	Rhizophoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26333	Actinidia arguta	Species	Actinidiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	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]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO23720	Taxus wallichiana	Species	Taxaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO299	Euphorbia ebracteolata	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO26333	Actinidia arguta	Species	Actinidiaceae	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]
NPO15317	Desmos cochinchinensis	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO8666	Acorus tatarinowii	Species	Acoraceae	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]
NPO299	Euphorbia ebracteolata	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO23720	Taxus wallichiana	Species	Taxaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4323	Morinda citrifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25472	Garcinia cowa	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26333	Actinidia arguta	Species	Actinidiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14254	Kandelia candel	Species	Rhizophoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28813	Xylocarpus granatum	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15317	Desmos cochinchinensis	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO299	Euphorbia ebracteolata	Species	Euphorbiaceae	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	Organism Name	Organism Material Preparation	Organism Part	NP Quantity (Standard)	NP Quantity (Minimum)	NP Quantity (Maximum)	Quantity Unit	Reference

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

Biological Activity

Activity Type	# Activity
IC50	256
Inhibition	75
Ratio	1
ED50	1
Activity	40
MIC	8
Ki	4
GI	10
IC5	1
Ratio IC50	1
MNTD	1
CC50	1

Activity Type	# Activity
Individual protein	35
Cell line	8
Protein family	73
Organism	38
Unchecked	84
No target	1
Single protein	2
Others	158

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1648	Individual protein	Oligo-1,6-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	817380.0	nM	PMID[27810241]
NPT1249	Individual protein	Canalicular multispecific organic anion transporter 2	Homo sapiens	IC50	>	133000.0	nM	PMID[23956101]
NPT1028	Individual protein	Multidrug resistance-associated protein 4	Homo sapiens	IC50	>	133000.0	nM	PMID[23956101]
NPT462	Individual protein	Sucrase-isomaltase	Rattus norvegicus	IC50	=	20200.0	nM	PMID[27839787]
NPT713	Individual protein	Bile salt export pump	Homo sapiens	IC50	>	133000.0	nM	PMID[23956101]
NPT462	Individual protein	Sucrase-isomaltase	Rattus norvegicus	Inhibition	=	89.54	%	PMID[27481560]
NPT497	Individual protein	Maltase-glucoamylase	Homo sapiens	IC50	=	15200.0	nM	PMID[33347966]
NPT497	Individual protein	Maltase-glucoamylase	Homo sapiens	IC50	=	750000.0	nM	PMID[36970140]
NPT497	Individual protein	Maltase-glucoamylase	Homo sapiens	Inhibition	n.a.	n.a.	%	PMID[36327695]
NPT497	Individual protein	Maltase-glucoamylase	Homo sapiens	IC50	=	24400.0	nM	PMID[35617790]
NPT497	Individual protein	Maltase-glucoamylase	Homo sapiens	Inhibition	=	99.0	%	PMID[36327695]
NPT497	Individual protein	Maltase-glucoamylase	Homo sapiens	Inhibition	=	96.4	%	PMID[35617790]
NPT497	Individual protein	Maltase-glucoamylase	Homo sapiens	IC50	=	22.32	ug.mL-1	PMID[34998058]
NPT462	Individual protein	Sucrase-isomaltase	Rattus norvegicus	IC50	=	1700.0	nM	PMID[36812150]
NPT497	Individual protein	Maltase-glucoamylase	Homo sapiens	IC50	=	39600.0	nM	PMID[30282319]
NPT497	Individual protein	Maltase-glucoamylase	Homo sapiens	IC50	=	40730.0	nM	PMID[36327695]
NPT497	Individual protein	Maltase-glucoamylase	Homo sapiens	IC50	=	906000.0	nM	PMID[29032032]
NPT497	Individual protein	Maltase-glucoamylase	Homo sapiens	IC50	=	26100.0	nM	PMID[36970140]
NPT497	Individual protein	Maltase-glucoamylase	Homo sapiens	IC50	=	763500.0	nM	PMID[32711292]
NPT497	Individual protein	Maltase-glucoamylase	Homo sapiens	IC50	=	258500.0	nM	PMID[36395995]
NPT497	Individual protein	Maltase-glucoamylase	Homo sapiens	IC50	=	39800.0	nM	PMID[30282319]
NPT612	Individual protein	Canalicular multispecific organic anion transporter 1	Homo sapiens	IC50	>	133000.0	nM	PMID[23956101]
NPT20556	Single protein	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	17.19	%	DOI[10.6019/CHEMBL4495564]
NPT692	Individual protein	Histone deacetylase 6	Homo sapiens	Inhibition	=	4.84	%	HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators
NPT692	Individual protein	Histone deacetylase 6	Homo sapiens	Inhibition	=	-4.64	%	HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators
NPT3809	Individual protein	Pancreatic alpha-amylase	Sus scrofa	IC50	=	26300.0	nM	PMID[27509358]
NPT3809	Individual protein	Pancreatic alpha-amylase	Sus scrofa	Inhibition	=	82.1	%	PMID[27890380]
NPT60	Individual protein	Lysosomal alpha-glucosidase	Homo sapiens	IC50	=	817380.0	nM	PMID[27689725]
NPT3809	Individual protein	Pancreatic alpha-amylase	Sus scrofa	IC50	=	5300.0	nM	PMID[28964635]
NPT3809	Individual protein	Pancreatic alpha-amylase	Sus scrofa	Ratio	=	4.0	n.a.	PMID[28964635]
NPT3809	Individual protein	Pancreatic alpha-amylase	Sus scrofa	IC50	=	8930.0	nM	PMID[29789207]
NPT3809	Individual protein	Pancreatic alpha-amylase	Sus scrofa	IC50	=	1353.0	nM	PMID[29102178]
NPT3809	Individual protein	Pancreatic alpha-amylase	Sus scrofa	Inhibition	=	94.0	%	PMID[32083868]
NPT3809	Individual protein	Pancreatic alpha-amylase	Sus scrofa	IC50	=	1660.0	nM	PMID[33234343]
NPT27334	Single protein	Alpha-glucosidase	Blautia obeum	IC50	=	1030000.0	nM	PMID[28422509]
NPT671	Individual protein	Acidic alpha-glucosidase	Rattus norvegicus	IC50	=	2000.0	nM	PMID[36812150]

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT71	Cell line	HEK293	Homo sapiens	GI	=	80.65	%	PMID[36584305]
NPT171	Cell line	MRC5	Homo sapiens	GI	=	32.34	%	PMID[36584305]
NPT65	Cell line	HepG2	Homo sapiens	Activity	n.a.	n.a.	n.a.	PMID[36395995]
NPT1160	Cell line	BJ	Homo sapiens	GI	=	47.83	%	PMID[36584305]
NPT2615	Cell line	HEK-293T	Homo sapiens	MNTD	>	100.0	uM	PMID[35617790]
NPT71	Cell line	HEK293	Homo sapiens	CC50	>	10000.0	nM	DOI[10.6019/CHEMBL4296181]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.16	%	DOI[10.6019/CHEMBL4495565]
NPT28438	Unchecked	Unchecked	n.a.	Inhibition	n.a.	n.a.	%	PMID[33857371]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	796200.0	nM	PMID[34460246]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	278730.0	nM	PMID[33857371]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	387800.0	nM	PMID[34964626]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	3.95	ug.mL-1	PMID[35790346]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	93600.0	nM	PMID[35262352]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	3200.0	nM	PMID[37738100]
NPT28438	Unchecked	Unchecked	n.a.	GI	=	20.08	%	PMID[36584305]
NPT28438	Unchecked	Unchecked	n.a.	GI	=	55.27	%	PMID[36584305]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	103.6	ug.mL-1	PMID[38452826]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	36.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	873000.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	37250.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	53020.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	300.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	750900.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	GI	=	10.54	%	PMID[36584305]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	75260.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	261450.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	38250.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	15000.0	nM	PMID[35367706]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	210.0	nM	PMID[37122544]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	436410.0	nM	PMID[34780899]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	146250.0	nM	PMID[34418573]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	18.81	ug.mL-1	PMID[36863227]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	5620.0	nM	PMID[37122544]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	38450.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	559330.0	nM	PMID[35749671]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	817380.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	213.7	nM	PMID[35694689]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	143540.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	250000000.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	231300.0	nM	PMID[38008338]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	5320.0	nM	PMID[36385930]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	37700.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	Inhibition	=	50.0	%	PMID[30282319]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	7730000.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	750000.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	1750.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	16660.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	2.39	ug.mL-1	PMID[30282319]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	120.0	nM	PMID[32711292]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	27100.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	397600.0	nM	PMID[38008338]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	2070.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	Activity	=	2.76	ug ml-1	PMID[38452826]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	1560.0	nM	PMID[38107174]
NPT28438	Unchecked	Unchecked	n.a.	Inhibition	=	11.1	%	PMID[33652353]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	1824230.0	nM	PMID[30282319]
NPT28438	Unchecked	Unchecked	n.a.	Ratio IC50	=	0.29	n.a.	PMID[36395995]
NPT28438	Unchecked	Unchecked	n.a.	GI	=	44.28	%	PMID[36584305]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	516900.0	nM	PMID[33652353]
NPT28438	Unchecked	Unchecked	n.a.	Inhibition	=	46.65	%	PMID[34780899]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	174.3	ug.mL-1	PMID[35395370]
NPT28438	Unchecked	Unchecked	n.a.	Ki	=	378100.0	nM	PMID[33652353]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	5320.0	nM	PMID[35021143]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	15010.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	38450.0	nM	PMID[33444846]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	875750.0	nM	PMID[33766763]
NPT28438	Unchecked	Unchecked	n.a.	Inhibition	=	56.5	%	PMID[35367706]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	340.0	ug.mL-1	PMID[35569687]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	76200.0	nM	PMID[36395995]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	=	21980.0	nM	PMID[35617790]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	38200.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	85.56	ug.mL-1	PMID[37122544]
NPT22914	Cell line	THLE-2	Homo sapiens	GI	=	19.13	%	PMID[36584305]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	40100.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	375820.0	nM	PMID[36680985]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	38000.0	nM	PMID[35367706]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	40910.0	nM	PMID[36680985]
NPT28833	No target	No relevant target	n.a.	IC50	=	81.12	ug.mL-1	PMID[32721784]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	440000.0	nM	PMID[34634473]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	577800.0	nM	PMID[34935371]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	8060.0	nM	PMID[36385930]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	28.2	%	PMID[32280435]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	59.9	%	PMID[32280435]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	49.9	%	PMID[32280435]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	21.3	%	PMID[32280435]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	6.6	%	PMID[32280435]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	11.2	%	PMID[32280435]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	2.4	%	PMID[32280435]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	4.8	%	PMID[32280435]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	2.6	%	PMID[32280435]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	10.4	%	PMID[32280435]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	3.7	%	PMID[32280435]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	10.1	%	PMID[32280435]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	3.9	%	PMID[32280435]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	6.5	%	PMID[32280435]
NPT20	Organism	Candida albicans	Candida albicans	MIC	>	10000.0	nM	DOI[10.6019/CHEMBL4296181]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	>	10000.0	nM	DOI[10.6019/CHEMBL4296181]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	0.05	ug.mL-1	PMID[32126450]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	442400.0	nM	PMID[29116780]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	320000.0	nM	PMID[29295795]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	101500.0	nM	PMID[28749670]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	707900.0	nM	PMID[29407953]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	817380.0	nM	PMID[30108859]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	942000.0	nM	PMID[31112894]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	817000.0	nM	PMID[31112894]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	80000.0	nM	PMID[31860303]
NPT27450	Organism	Bacteroides dorei	Bacteroides dorei	Activity	=	71.8	%	PMID[32280435]
NPT27450	Organism	Bacteroides dorei	Bacteroides dorei	Activity	=	105.8	%	PMID[32280435]
NPT27450	Organism	Bacteroides dorei	Bacteroides dorei	Activity	=	123.3	%	PMID[32280435]
NPT27450	Organism	Bacteroides dorei	Bacteroides dorei	Activity	=	118.7	%	PMID[32280435]
NPT27450	Organism	Bacteroides dorei	Bacteroides dorei	Activity	=	99.4	%	PMID[32280435]
NPT27450	Organism	Bacteroides dorei	Bacteroides dorei	Activity	=	100.0	%	PMID[32280435]
NPT27450	Organism	Bacteroides dorei	Bacteroides dorei	Activity	=	103.0	%	PMID[32280435]
NPT27450	Organism	Bacteroides dorei	Bacteroides dorei	Activity	=	100.7	%	PMID[32280435]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	817380.0	nM	PMID[31330449]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	2000.0	nM	PMID[31514061]
NPT85	Organism	Filobasidiella neoformans	Cryptococcus neoformans	MIC	>	10000.0	nM	DOI[10.6019/CHEMBL4296181]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	10000.0	nM	DOI[10.6019/CHEMBL4296181]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	>	10000.0	nM	DOI[10.6019/CHEMBL4296181]
NPT2922	Organism	Staphylococcus aureus subsp. aureus	Staphylococcus aureus subsp. aureus	MIC	>	10000.0	nM	DOI[10.6019/CHEMBL4296181]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	452243.0	nM	PMID[36764471]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	Ki	=	440.0	nM	PMID[36764471]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	7400.0	nM	PMID[36584305]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	420200.0	nM	PMID[38107170]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	189200.0	nM	PMID[38107170]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	Inhibition	n.a.	n.a.	%	PMID[36764471]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	171.8	ug.mL-1	PMID[34192642]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	576200.0	nM	PMID[30282319]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	583600.0	nM	PMID[36880726]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	Inhibition	=	11.5	%	PMID[36764471]
NPT21742	Cell line	L02	Homo sapiens	Activity	n.a.	n.a.	n.a.	PMID[36395995]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	1520000.0	nM	PMID[30282319]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	15200.0	nM	PMID[30282319]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	Inhibition	=	5.4	%	PMID[30282319]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	900.0	ug.mL-1	PMID[30282319]
NPT20648	Protein family	Alpha glucosidase	Homo sapiens	IC50	=	200800.0	nM	PMID[37088219]
NPT2	Others	Unspecified	n.a.	IC50	=	663280.0	nM	PMID[27641469]
NPT2	Others	Unspecified	n.a.	IC50	=	38250.0	nM	PMID[27371923]
NPT2	Others	Unspecified	n.a.	IC50	=	402700.0	nM	PMID[27509358]
NPT2	Others	Unspecified	n.a.	IC50	=	174000.0	nM	PMID[27890380]
NPT2	Others	Unspecified	n.a.	Inhibition	=	58.6	%	PMID[27890380]
NPT2	Others	Unspecified	n.a.	Inhibition	=	69.3	%	PMID[27890380]
NPT2	Others	Unspecified	n.a.	IC50	=	115800.0	nM	PMID[27487567]
NPT2	Others	Unspecified	n.a.	IC50	=	475000.0	nM	PMID[28110817]
NPT2	Others	Unspecified	n.a.	IC50	=	273100.0	nM	PMID[27839787]
NPT2	Others	Unspecified	n.a.	IC50	=	38100.0	nM	PMID[27839787]
NPT2	Others	Unspecified	n.a.	IC50	=	16100.0	nM	PMID[27839787]
NPT2	Others	Unspecified	n.a.	IC50	=	101000.0	nM	PMID[27933892]
NPT2	Others	Unspecified	n.a.	IC50	=	500000.0	nM	PMID[28060505]
NPT2	Others	Unspecified	n.a.	IC50	=	484.0	ug.mL-1	PMID[28186413]
NPT2	Others	Unspecified	n.a.	IC50	=	66.5	ug.mL-1	PMID[28186413]
NPT2	Others	Unspecified	n.a.	Inhibition	=	42.17	%	PMID[28343876]
NPT2	Others	Unspecified	n.a.	Inhibition	=	51.09	%	PMID[28343876]
NPT2	Others	Unspecified	n.a.	Inhibition	=	58.36	%	PMID[28343876]
NPT2	Others	Unspecified	n.a.	Inhibition	=	82.16	%	PMID[28343876]
NPT2	Others	Unspecified	n.a.	Inhibition	=	89.45	%	PMID[28343876]
NPT2	Others	Unspecified	n.a.	Inhibition	=	85.63	%	PMID[28343876]
NPT2	Others	Unspecified	n.a.	IC50	=	1998790.0	nM	PMID[28343876]
NPT2	Others	Unspecified	n.a.	Inhibition	=	79.66	%	PMID[28343876]
NPT2	Others	Unspecified	n.a.	Inhibition	=	17.74	%	PMID[28343876]
NPT2	Others	Unspecified	n.a.	IC50	=	360200.0	nM	PMID[28495082]
NPT2	Others	Unspecified	n.a.	IC50	=	178000.0	nM	PMID[28454670]
NPT2	Others	Unspecified	n.a.	IC50	=	876900.0	nM	PMID[27673367]
NPT2	Others	Unspecified	n.a.	IC50	=	50300.0	nM	PMID[28651984]
NPT2	Others	Unspecified	n.a.	IC50	=	2479000.0	nM	PMID[28964635]
NPT2	Others	Unspecified	n.a.	IC50	=	900000.0	nM	PMID[28624142]
NPT2	Others	Unspecified	n.a.	IC50	=	232410.0	nM	PMID[28651914]
NPT2	Others	Unspecified	n.a.	IC50	=	100000.0	nM	PMID[28422509]
NPT2	Others	Unspecified	n.a.	Inhibition	=	0.7	%	PMID[28497968]
NPT2	Others	Unspecified	n.a.	IC50	=	269900.0	nM	PMID[28497968]
NPT2	Others	Unspecified	n.a.	IC50	=	66570.0	nM	PMID[29789207]
NPT2	Others	Unspecified	n.a.	Inhibition	=	22.0	%	PMID[29866516]
NPT2	Others	Unspecified	n.a.	Inhibition	=	30.0	%	PMID[29866516]
NPT2	Others	Unspecified	n.a.	Inhibition	=	33.0	%	PMID[29866516]
NPT2	Others	Unspecified	n.a.	Inhibition	=	46.0	%	PMID[29866516]
NPT2	Others	Unspecified	n.a.	Inhibition	=	60.0	%	PMID[29866516]
NPT2	Others	Unspecified	n.a.	Inhibition	=	63.0	%	PMID[29866516]
NPT2	Others	Unspecified	n.a.	Inhibition	=	74.0	%	PMID[29866516]
NPT2	Others	Unspecified	n.a.	IC50	=	52470.0	nM	PMID[29866516]
NPT2	Others	Unspecified	n.a.	Inhibition	=	17.0	%	PMID[29866516]
NPT2	Others	Unspecified	n.a.	Inhibition	=	25.0	%	PMID[29866516]
NPT2	Others	Unspecified	n.a.	Inhibition	=	29.0	%	PMID[29866516]
NPT2	Others	Unspecified	n.a.	Inhibition	=	39.0	%	PMID[29866516]
NPT2	Others	Unspecified	n.a.	Inhibition	=	52.0	%	PMID[29866516]
NPT2	Others	Unspecified	n.a.	Inhibition	=	66.0	%	PMID[29866516]
NPT2	Others	Unspecified	n.a.	IC50	=	57780.0	nM	PMID[29866516]
NPT2	Others	Unspecified	n.a.	IC50	=	774500.0	nM	PMID[30017112]
NPT2	Others	Unspecified	n.a.	IC50	=	43260.0	nM	PMID[30017112]
NPT2	Others	Unspecified	n.a.	IC50	=	26120.0	nM	PMID[30017112]
NPT2	Others	Unspecified	n.a.	IC50	=	38200.0	nM	PMID[30017112]
NPT2	Others	Unspecified	n.a.	IC50	=	578750.0	nM	PMID[29148766]
NPT2	Others	Unspecified	n.a.	Inhibition	=	19.0	%	PMID[29792702]
NPT2	Others	Unspecified	n.a.	IC50	=	478400.0	nM	PMID[29792702]
NPT2	Others	Unspecified	n.a.	IC50	=	750000.0	nM	PMID[29902721]
NPT2	Others	Unspecified	n.a.	IC50	=	817380.0	nM	PMID[29208524]
NPT2	Others	Unspecified	n.a.	IC50	=	1260.0	nM	PMID[29634260]
NPT2	Others	Unspecified	n.a.	Inhibition	=	51.8	%	PMID[29254644]
NPT2	Others	Unspecified	n.a.	IC50	=	179900.0	nM	PMID[29254644]
NPT2	Others	Unspecified	n.a.	IC50	=	215000.0	nM	PMID[28240909]
NPT2	Others	Unspecified	n.a.	IC50	=	215000.0	nM	PMID[28581744]
NPT2	Others	Unspecified	n.a.	IC50	=	856450.0	nM	PMID[28672278]
NPT2	Others	Unspecified	n.a.	IC50	=	360200.0	nM	PMID[29518717]
NPT2	Others	Unspecified	n.a.	IC50	=	1460.0	nM	PMID[29533872]
NPT2	Others	Unspecified	n.a.	Inhibition	=	33.0	%	PMID[30031655]
NPT2	Others	Unspecified	n.a.	Inhibition	=	30.0	%	PMID[30031655]
NPT2	Others	Unspecified	n.a.	Inhibition	=	22.82	%	PMID[30031655]
NPT2	Others	Unspecified	n.a.	Inhibition	=	46.0	%	PMID[30031655]
NPT2	Others	Unspecified	n.a.	Inhibition	=	60.0	%	PMID[30031655]
NPT2	Others	Unspecified	n.a.	Inhibition	=	78.0	%	PMID[30031655]
NPT2	Others	Unspecified	n.a.	IC50	=	52160.0	nM	PMID[30031655]
NPT2	Others	Unspecified	n.a.	Inhibition	=	17.0	%	PMID[30031655]
NPT2	Others	Unspecified	n.a.	Inhibition	=	25.0	%	PMID[30031655]
NPT2	Others	Unspecified	n.a.	Inhibition	=	40.0	%	PMID[30031655]
NPT2	Others	Unspecified	n.a.	Inhibition	=	52.0	%	PMID[30031655]
NPT2	Others	Unspecified	n.a.	Inhibition	=	58.0	%	PMID[30031655]
NPT2	Others	Unspecified	n.a.	Inhibition	=	68.0	%	PMID[30031655]
NPT2	Others	Unspecified	n.a.	IC50	=	55890.0	nM	PMID[30031655]
NPT2	Others	Unspecified	n.a.	IC50	=	4020.0	nM	PMID[30153956]
NPT2	Others	Unspecified	n.a.	Inhibition	=	63.68	%	PMID[30108858]
NPT2	Others	Unspecified	n.a.	Inhibition	=	53.77	%	PMID[30108858]
NPT2	Others	Unspecified	n.a.	Inhibition	=	48.58	%	PMID[30108858]
NPT2	Others	Unspecified	n.a.	IC50	=	360200.0	nM	PMID[30108873]
NPT2	Others	Unspecified	n.a.	IC50	=	1460.0	nM	PMID[30268823]
NPT2	Others	Unspecified	n.a.	IC50	=	774000.0	nM	PMID[31112894]
NPT2	Others	Unspecified	n.a.	IC50	=	937000.0	nM	PMID[31112894]
NPT2	Others	Unspecified	n.a.	Inhibition	=	55.78	%	PMID[30340897]
NPT2	Others	Unspecified	n.a.	IC50	=	543600.0	nM	PMID[30340897]
NPT2	Others	Unspecified	n.a.	IC50	=	266100.0	nM	PMID[30668111]
NPT2	Others	Unspecified	n.a.	IC50	=	12200.0	nM	PMID[31895570]
NPT2	Others	Unspecified	n.a.	IC50	=	38200.0	nM	PMID[31679980]
NPT2	Others	Unspecified	n.a.	IC50	=	750000.0	nM	PMID[31679980]
NPT2	Others	Unspecified	n.a.	IC50	=	236500.0	nM	PMID[31176093]
NPT2	Others	Unspecified	n.a.	ED50	=	37.38	mg.kg-1	PMID[31344615]
NPT2	Others	Unspecified	n.a.	IC50	=	3000.0	nM	PMID[31373815]
NPT2	Others	Unspecified	n.a.	Inhibition	=	97.72	%	PMID[30594450]
NPT2	Others	Unspecified	n.a.	IC50	<	5.05	ug.mL-1	PMID[31078411]
NPT2	Others	Unspecified	n.a.	IC50	=	38450.0	nM	PMID[31378594]
NPT2	Others	Unspecified	n.a.	Inhibition	=	88.0	%	PMID[31196754]
NPT2	Others	Unspecified	n.a.	IC50	=	1980.0	nM	PMID[31514061]
NPT2	Others	Unspecified	n.a.	IC50	=	73700.0	nM	PMID[31661271]
NPT2	Others	Unspecified	n.a.	IC50	=	750000.0	nM	PMID[30661823]
NPT2	Others	Unspecified	n.a.	IC50	=	579150.0	nM	PMID[30677669]
NPT2	Others	Unspecified	n.a.	IC50	=	285000.0	nM	PMID[30785286]
NPT2	Others	Unspecified	n.a.	IC50	=	170700.0	nM	PMID[30835120]
NPT2	Others	Unspecified	n.a.	Inhibition	=	83.3	%	PMID[27576293]
NPT2	Others	Unspecified	n.a.	IC50	=	13340.0	nM	PMID[27576293]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	>	10000.0	nM	DOI[10.6019/CHEMBL4296181]
NPT2	Others	Unspecified	n.a.	Inhibition	=	80.0	%	PMID[32083868]
NPT2	Others	Unspecified	n.a.	IC50	=	166400.0	nM	PMID[32196343]
NPT2	Others	Unspecified	n.a.	IC50	=	585800.0	nM	PMID[31898904]
NPT2	Others	Unspecified	n.a.	IC50	=	151100.0	nM	PMID[31898904]
NPT2	Others	Unspecified	n.a.	Inhibition	=	72.8	%	PMID[32315181]
NPT2	Others	Unspecified	n.a.	IC50	=	840000.0	nM	PMID[32008883]
NPT2	Others	Unspecified	n.a.	IC50	=	38250.0	nM	PMID[32008883]
NPT2	Others	Unspecified	n.a.	IC50	=	39450.0	nM	PMID[32008883]
NPT2	Others	Unspecified	n.a.	IC50	=	130980.0	nM	PMID[32008883]
NPT2	Others	Unspecified	n.a.	IC50	=	39600.0	nM	PMID[32008883]
NPT2	Others	Unspecified	n.a.	IC50	=	37250.0	nM	PMID[32008883]
NPT2	Others	Unspecified	n.a.	IC50	=	1920.0	nM	PMID[32327353]
NPT2	Others	Unspecified	n.a.	IC50	=	1990.0	nM	PMID[32327353]
NPT2	Others	Unspecified	n.a.	IC50	=	232000.0	nM	PMID[32527456]
NPT2	Others	Unspecified	n.a.	IC50	=	5590.0	nM	PMID[32527456]
NPT2	Others	Unspecified	n.a.	IC50	=	2310.0	nM	PMID[32527456]
NPT2	Others	Unspecified	n.a.	IC50	=	50300.0	nM	PMID[32527562]
NPT2	Others	Unspecified	n.a.	Inhibition	=	79.8	%	PMID[32067867]
NPT2	Others	Unspecified	n.a.	IC50	=	130300.0	nM	PMID[32067867]
NPT2	Others	Unspecified	n.a.	IC50	=	126800.0	nM	PMID[32111435]
NPT2	Others	Unspecified	n.a.	IC50	=	83500.0	nM	PMID[32247751]
NPT2	Others	Unspecified	n.a.	IC50	=	2910.0	nM	PMID[33065441]
NPT2	Others	Unspecified	n.a.	IC50	=	645000.0	nM	PMID[33347966]
NPT2	Others	Unspecified	n.a.	IC50	=	1500.0	nM	PMID[33347966]
NPT2	Others	Unspecified	n.a.	IC50	=	1700.0	nM	PMID[33347966]
NPT2	Others	Unspecified	n.a.	IC50	=	2124000.0	nM	PMID[31883489]
NPT2	Others	Unspecified	n.a.	IC50	=	2100.0	nM	PMID[31927314]
NPT2	Others	Unspecified	n.a.	IC50	=	122700.0	nM	PMID[33479653]
NPT2	Others	Unspecified	n.a.	Ki	=	81000.0	nM	PMID[33479653]
NPT2	Others	Unspecified	n.a.	IC50	=	197400.0	nM	PMID[33479653]
NPT2	Others	Unspecified	n.a.	IC50	=	57010.0	nM	PMID[32920141]
NPT2	Others	Unspecified	n.a.	IC50	=	93600.0	nM	PMID[32738998]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	895090000.0	nM	PMID[29288945]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	375820.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	1700.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	139000.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	750000.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	365400.0	nM	PMID[38008338]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	817380.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	1060.3	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	51320.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	10950.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	856450.0	nM	PMID[29288945]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	43260.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	9180.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	326800.0	nM	PMID[35694689]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	895090.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	426000.0	nM	PMID[30282319]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	840000.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	1120.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	19000.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	37380.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	58800.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	34710.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	640570.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC5	=	450.0	uM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	478070.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	4700000.0	nM	PMID[38389895]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	280000.0	nM	PMID[30282319]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	24000.0	nM	PMID[30282319]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	214500.0	nM	PMID[30282319]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	2880.0	nM	PMID[30282319]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	774500.0	nM	PMID[29032032]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	38250.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	543600.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	2350.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	900000.0	nM	PMID[30282319]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	53.9	ug.mL-1	PMID[30282319]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	10530.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	386100.0	nM	PMID[30282319]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	11820.0	nM	PMID[36680985]
NPT28736	Protein family	Alpha-glucosidase	Saccharomyces cerevisiae S288c	IC50	=	380000.0	nM	PMID[30282319]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	9.61	mM	PMID[31176093]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	3.02	mM	PMID[31176093]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	19.14	mM	PMID[30677669]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	15.48	mM	PMID[30677669]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	20.41	mM	PMID[30677669]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	22.44	mM	PMID[30677669]
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	31.6	%	PMID[32527456]
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	41.4	%	PMID[32527456]
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	17.41	%	PMID[32527456]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	50.9	%	PMID[36812150]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	40.2	%	PMID[36812150]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	40.0	%	PMID[36812150]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	45.1	%	PMID[36812150]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	9.89	mmol/L	PMID[36395995]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	22.35	%	PMID[35749671]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	n.a.	n.a.	n.a.	PMID[34634473]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	9.57	mmol/L	PMID[36395995]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	16.2	%	PMID[35749671]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Inhibition	=	37.2	%	PMID[34780899]

Experimental ADME

Experiment Model	Experiment Tissue	ADME Type	ADME Relation	ADME Value	ADME Unit	Reference

Experimental Toxicity

Quantitative toxicity

Experiment Model	Experiment Organism	Toxicity Type	Toxicity Relation	Toxicity Value	Toxicity Unit	Reference

Common Abbreviations:
LC: Lethal Concentration; LD: Lethal Dose; LT:Lethal Time; NOAEL: No-observed-adverse-effect Level; BMDL: Benchmark Dose Lower Confidence Limit; BMD: Benchmark Dose; BMC:Benchmark Concentration; LOAEL: Lowest Observed Adverse Effect Level; RfD:Reference Dose; RfC:Reference Concentration; MRL: Minimal Risk Level; MEG: Maximum Exposure Guideline; PAC: Protective Action Criteria

Categorical toxicity labels

Hepatotoxicity	Carcinogenicity	Mutagenicity	Cardiotoxicity	Respiratory Toxicity	Eye Irritation	Endocrine Disruption

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 toxicity records from domain-specific databases. These databases include:
☉ ToxValDB: a curated database that compiles quantitative toxicity values for chemicals from diverse public sources to support toxicological research and risk assessment.
☉ TOXRIC: a comprehensive, free-to-access, online database providing toxicological/feature data. The toxicity labels are retrieved from this database. [PMID: 36400569]

Chemically structural similarity

Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes approximately 50,000 NPs with experimentally-derived bioactivity available in NPASS)

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.

● The left chart: Distribution of similarity level between NPC314350 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	32368
0.1-0.2	16586
0.2-0.3	871
0.3-0.4	23
0.4-0.5	6
0.5-0.6	2
0.6-0.7	0
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC482833
1.0	High Similarity	NPC314306
0.5238	Remote Similarity	NPC317023
0.5238	Remote Similarity	NPC489878

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC314350 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	8119
0.1-0.2	972
0.2-0.3	51
0.3-0.4	1
0.4-0.5	5
0.5-0.6	0
0.6-0.7	0
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD6429	Phase 4
1.0	High Similarity	NPD6430	Approved

Bioactivity similarity

Similar Natural Products in NPASS

Similarity level is defined by 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