NPASS Compound

Natural Product: NPC64141

Natural Product ID	NPC64141
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	Isoacteoside
IUPAC Name	[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Synonyms	Isoacetoside; Isoacteoside; Isoverbascoside
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	CHEMBL504873
PubChem CID	6476333
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000261] Phenylpropanoids and polyketides [CHEMONTID:0000476] Cinnamic acids and derivatives [CHEMONTID:0001391] Hydroxycinnamic acids and derivatives [CHEMONTID:0000059] Coumaric acids and derivatives

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 80 83 0 0 0 0 0 0 0 0999 V2000 2.8455 -2.6163 0.6658 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6351 -1.7989 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2769 -0.9145 -0.7365 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1378 -0.5980 -1.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 0.0278 -0.6692 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0047 0.3180 -1.6579 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7546 1.3746 -1.1239 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6065 1.8945 -2.0935 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 3.1269 -2.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4005 4.2978 -1.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7165 4.6029 -1.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1736 4.1594 0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4462 4.4839 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2851 5.2787 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 5.7321 -1.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5634 5.4000 -1.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6828 6.5336 -2.2107 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5502 5.5930 0.2467 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3798 0.9510 0.1423 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1648 -0.5176 0.4295 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3394 -0.8432 0.3665 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8849 -0.5783 1.6019 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7984 -1.3920 -0.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6683 -2.2781 0.2196 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2125 -3.5645 -0.1527 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9926 -4.4717 0.5704 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9666 -4.2016 2.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3996 -4.4833 0.0333 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5014 -3.4233 -1.0395 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0359 -2.1167 -0.4012 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9563 -1.8224 0.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8244 -3.2517 -1.4423 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 -5.7341 -0.4376 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7285 1.6487 1.1997 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0380 -1.8386 0.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9356 -1.0009 0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3127 -0.9782 0.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8508 -1.8266 1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1905 -1.7260 1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0388 -0.8031 1.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4815 0.0382 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1649 -0.0482 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2885 0.9900 -0.2288 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3861 -0.7220 1.6707 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3226 -0.0230 -2.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7255 -1.5854 -1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3008 0.9781 -0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 2.1751 -0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3435 3.1955 -3.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0727 3.3319 -3.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6173 4.2653 -0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0761 5.1934 -2.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5506 3.5541 0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7925 4.1230 1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2378 5.7793 -2.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5091 7.5321 -2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6274 5.9506 1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 1.2495 0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4702 -0.6901 1.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4472 -1.8882 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2862 -0.8790 2.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7564 -2.1686 1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 -5.5232 0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7843 -3.5390 2.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0068 -5.1735 2.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9584 -3.7724 2.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0717 -4.1360 0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 -3.6132 -1.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0605 -1.2892 -1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8374 -2.2289 0.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9518 -3.8754 -2.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7637 -5.6842 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3361 1.7406 1.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3445 -2.5538 1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5928 -0.2830 -0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2392 -2.5747 2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5662 -2.4043 2.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7774 0.6511 -0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1266 1.2101 -1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9120 0.0538 1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 1 0 7 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 29 32 1 0 28 33 1 0 19 34 1 0 2 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 41 43 1 0 40 44 1 0 21 5 1 0 30 24 1 0 42 37 1 0 16 11 1 0 4 45 1 0 4 46 1 0 5 47 1 1 7 48 1 1 9 49 1 0 9 50 1 0 10 51 1 0 10 52 1 0 12 53 1 0 13 54 1 0 16 55 1 0 17 56 1 0 18 57 1 0 19 58 1 6 20 59 1 1 21 60 1 6 22 61 1 0 24 62 1 1 26 63 1 1 27 64 1 0 27 65 1 0 27 66 1 0 28 67 1 1 29 68 1 6 30 69 1 6 31 70 1 0 32 71 1 0 33 72 1 0 34 73 1 0 35 74 1 0 36 75 1 0 38 76 1 0 39 77 1 0 42 78 1 0 43 79 1 0 44 80 1 0 M END

Standard InCHIKey	FNMHEHXNBNCPCI-QEOJJFGVSA-N
Standard InCHI	InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1
SMILES	O=C(OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)/C=C/c1ccc(c(c1)O)O

Calculated Properties

Physi-Chem Properties

Molecular Weight:	624.21	Volume:	586.676 ? Van der Waals volume.
Dense:	1.064	LogP:	1.049 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	1.588 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-2.167 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	11.0	Rigid Bonds:	26.0
TPSA:	245.29 ? Topological Polar Surface Area.	H-Bond Acceptor:	15.0
H-Bond Donor:	9.0	Rings:	4.0
Heavy Atoms:	15.0

MedChem Properties

QED Drug-Likeness Score:	0.087	GASA:	1.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	4.708	Fsp³:	0.483
MCE-18:	100.488 ? 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:	0
Chelating Alert:	1	PAINS Alert:	1
Colloidal aggregators:	0.667	Fluc inhibitor:	0.693 ? The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:	0.111 ? The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1	Green fluorescence:	0.6 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.173	Promiscuous compounds:	0.432

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-6.53	MDCK Permeability:	-5.206
Pgp-inhibitor:	0.0	Pgp-substrate:	0.022
PAMPA:	0.996 ? 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):	0.958
20% Bioavailability (F20%):	0.999	30% Bioavailability (F30%):	1.0
50% Bioavailability (F50%):	1.0

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.003	MRP1:	0.006
Plasma Protein Binding (PPB):	72.138%	Volume Distribution (VD):	-0.41
Fu:	23.829% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	1.0
OATP1B3 inhibitor:	1.0	BCRP inhibitor:	0.006
BSEP inhibitor:	0.002

ADMET: Metabolism

CYP1A2-inhibitor:	0.0	CYP1A2-substrate:	0.0
CYP2C19-inhibitor:	0.0	CYP2C19-substrate:	0.008
CYP2C9-inhibitor:	0.0	CYP2C9-substrate:	0.0
CYP2D6-inhibitor:	0.0	CYP2D6-substrate:	0.759
CYP3A4-inhibitor:	0.0	CYP3A4-substrate:	0.997
CYP2B6-substrate:	0.0	CYP2C8-inhibitor:	1.0
HLM stability:	0.998 ? 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):

3.107

Half-life (T1/2):

4.511

ADMET: Toxicity

hERG Blockers:	0.052	hERG Blockers (10um):	0.581
Human Hepatotoxicity (H-HT):	0.285	Drug-induced Liver Injury (DILI):	0.892
AMES Toxicity:	0.935	Rat Oral Acute Toxicity:	0.01
Maximum Recommended Daily Dose:	0.081	Skin Sensitization:	1.0
Carcinogencity:	0.029	Eye Corrosion:	0.0
Eye Irritation:	0.088	Respiratory Toxicity:	0.003
Drug-induced Neurotoxicity:	0.0	Ototoxicity:	0.996
Hematotoxicity:	0.051	Drug-induced Nephrotoxicity:	0.248
Genotoxicity:	0.73	RPMI-8226 Immunitoxicity:	0.031
A549 Cytotoxicity:	0.983	Hek293 Cytotoxicity:	0.603
BCF:	0.688 ? 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:	3.394 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	4.956 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	4.453 ? 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
NPO12110	Bauhinia tarapotensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11473417]
NPO10031	Euphorbia antiquorum	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11858748]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	leaf	n.a.	PMID[12575075]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	stem	n.a.	PMID[12575075]
NPO16076	Penicillium chrysogenum	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[1367520]
NPO14242	Maytenus laevis	Species	Celastraceae	Eukaryota	bark	Leticia, Colombia	n.a.	PMID[15568791]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	whole plant	n.a.	PMID[15577255]
NPO21591	Psorothamnus polydenius	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15679330]
NPO21591	Psorothamnus polydenius	Species	Fabaceae	Eukaryota	n.a.	leaf	n.a.	PMID[15679330]
NPO21591	Psorothamnus polydenius	Species	Fabaceae	Eukaryota	n.a.	twig	n.a.	PMID[15679330]
NPO21591	Psorothamnus polydenius	Species	Fabaceae	Eukaryota	n.a.	flower	n.a.	PMID[15679330]
NPO16076	Penicillium chrysogenum	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15974609]
NPO1939	Swartzia langsdorffii	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16124782]
NPO5912	Globularia alypum	Species	Plantaginaceae	Eukaryota	n.a.	aerial part	n.a.	PMID[16124783]
NPO5912	Globularia alypum	Species	Plantaginaceae	Eukaryota	aerial parts	Morocco	n.a.	PMID[16124783]
NPO13010	Allium stipitatum	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19093848]
NPO13010	Allium stipitatum	Species	Amaryllidaceae	Eukaryota	n.a.	bulb	n.a.	PMID[19093848]
NPO982	Phlomis brunneogaleata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19299148]
NPO28152	Jacaranda caucana	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19361168]
NPO6964	Cistanche tubulosa	Species	Orobanchaceae	Eukaryota	fresh stems	n.a.	n.a.	PMID[20159656]
NPO21509	Laurencia similis	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20961755]
NPO16076	Penicillium chrysogenum	Species	Aspergillaceae	Eukaryota	n.a.	mycelium	n.a.	PMID[21381678]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	n.a.	rhizome	n.a.	PMID[21563811]
NPO16076	Penicillium chrysogenum	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21667925]
NPO16076	Penicillium chrysogenum	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22118684]
NPO20240	Discodermia calyx	Species	Theonellidae	Eukaryota	n.a.	n.a.	n.a.	PMID[22276742]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	rhizomes	n.a.	n.a.	PMID[22671987]
NPO8101	Rehmannia glutinosa	Species	Orobanchaceae	Eukaryota	Roots	n.a.	n.a.	PMID[22916954]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23373216]
NPO40812	Castilleja linariaefolia	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[2380718]
NPO27031	Methanosarcina barkeri	Species	Methanosarcinaceae	Archaea	n.a.	n.a.	n.a.	PMID[24669201]
NPO10031	Euphorbia antiquorum	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24840014]
NPO3477	Plantago asiatica	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[2488968]
NPO10680	Cistanche deserticola	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25900014]
NPO3477	Plantago asiatica	Species	Plantaginaceae	Eukaryota	n.a.	seed	n.a.	PMID[2610694]
NPO13153	Callicarpa macrophylla	Species	Lamiaceae	Eukaryota	Leaves	n.a.	n.a.	PMID[26110519]
NPO8918	Plantago depressa	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26562611]
NPO16076	Penicillium chrysogenum	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26692349]
NPO20240	Discodermia calyx	Species	Theonellidae	Eukaryota	n.a.	n.a.	n.a.	PMID[28290701]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30188125]
NPO40190	Lippia rubella	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30817148]
NPO10031	Euphorbia antiquorum	Species	Euphorbiaceae	Eukaryota	Stems	n.a.	n.a.	PMID[31180680]
NPO16076	Penicillium chrysogenum	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33089690]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35872238]
NPO48361	Clerodendrum glandulosum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39621736]
NPO16076	Penicillium chrysogenum	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[8626236]
NPO6610	Markhamia lutea	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[9599250]
NPO13153	Callicarpa macrophylla	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO5995	Spartium junceum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12103	Salvia ballotiflora	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14327	Scabiosa comosa	Species	Caprifoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO10031	Euphorbia antiquorum	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO4129	Veronica persica	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO3734	Vigna umbellata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO10680	Cistanche deserticola	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO6964	Cistanche tubulosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO16365	Ageratum tomentosum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO8101	Rehmannia glutinosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO22203	Tapinella panuoides	Species	Tapinellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15404	Streptomyces erythrochromogenes	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15898	Streptomyces noursei	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO28152	Jacaranda caucana	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15108	Angiopteris evecta	Species	Marattiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14454	Plectranthus lanuginosus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO3477	Plantago asiatica	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13914	Fraxinus ornus	Species	Oleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO21591	Psorothamnus polydenius	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO27031	Methanosarcina barkeri	Species	Methanosarcinaceae	Archaea	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20856	Pyrethrum santolinoides	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[COCONUT]
NPO8918	Plantago depressa	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO21509	Laurencia similis	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO5565	Harpagophytum procumbens	Species	Pedaliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO6610	Markhamia lutea	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO23170	Orobanche coerulescens	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO982	Phlomis brunneogaleata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14965	Lepidophorum repandum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15621	Lethasterias fusca	Species	Asteriidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14242	Maytenus laevis	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11584	Artemisia argentea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12480	Brodiaea californica	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9917	Plagiomnium cuspidatum	Species	Mniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO28240	Notholaena lemmonii	Species	Pteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12110	Bauhinia tarapotensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO5912	Globularia alypum	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20240	Discodermia calyx	Species	Theonellidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14614	Kopsia longiflora	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17830	Adonis aleppica	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO5137	Myristica malabarica	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO4838	Phlomis umbrosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13743	Populus yunnanensis	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15087	Alstonia pittieri	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO16161	Stephania aculeata	Species	Menispermaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12777	Laurencia pacifica	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO1124	Scapania aequiloba	Species	Scapaniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO4039	Verbascum pseudonobile	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO8101	Rehmannia glutinosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO6964	Cistanche tubulosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO3477	Plantago asiatica	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO982	Phlomis brunneogaleata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO10680	Cistanche deserticola	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5995	Spartium junceum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4129	Veronica persica	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14327	Scabiosa comosa	Species	Caprifoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23170	Orobanche coerulescens	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO10031	Euphorbia antiquorum	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8918	Plantago depressa	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13914	Fraxinus ornus	Species	Oleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO18558	Abies alba	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5565	Harpagophytum procumbens	Species	Pedaliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO151	Pedicularis striata	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4838	Phlomis umbrosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20106	Polygala sabulosa	Species	Polygalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO30076	Lippia dulcis	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5137	Myristica malabarica	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14614	Kopsia longiflora	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8101	Rehmannia glutinosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18558	Abies alba	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10680	Cistanche deserticola	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18120	Radix rehmanniae	Species	Lymnaeidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO982	Phlomis brunneogaleata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13914	Fraxinus ornus	Species	Oleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10031	Euphorbia antiquorum	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4129	Veronica persica	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8918	Plantago depressa	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3477	Plantago asiatica	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4203	Phlomoides rotata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14614	Kopsia longiflora	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23388	Phyla dulcis	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14327	Scabiosa comosa	Species	Caprifoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5565	Harpagophytum procumbens	Species	Pedaliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5995	Spartium junceum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6964	Cistanche tubulosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23170	Orobanche coerulescens	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO77	Brandisia hancei	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO151	Pedicularis striata	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13153	Callicarpa macrophylla	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4838	Phlomis umbrosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20106	Polygala sabulosa	Species	Polygalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5137	Myristica malabarica	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9917	Plagiomnium cuspidatum	Species	Mniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18116	Dregea volubilis	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO3477	Plantago asiatica	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO23170	Orobanche coerulescens	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO8101	Rehmannia glutinosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14327	Scabiosa comosa	Species	Caprifoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO13914	Fraxinus ornus	Species	Oleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO10680	Cistanche deserticola	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO8918	Plantago depressa	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO5995	Spartium junceum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4838	Phlomis umbrosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO3477	Plantago asiatica	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO8101	Rehmannia glutinosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4203	Phlomoides rotata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO10680	Cistanche deserticola	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO8918	Plantago depressa	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO23170	Orobanche coerulescens	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO3734	Vigna umbellata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO5565	Harpagophytum procumbens	Species	Pedaliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO6964	Cistanche tubulosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO13153	Callicarpa macrophylla	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO13477	Cyberlindnera jadinii	Species	Phaffomycetaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22203	Tapinella panuoides	Species	Tapinellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO151	Pedicularis striata	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13225	Spergula japonica	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO255	Solanum pseudopersicum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16161	Stephania aculeata	Species	Menispermaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15087	Alstonia pittieri	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28240	Notholaena lemmonii	Species	Pteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13010	Allium stipitatum	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10031	Euphorbia antiquorum	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14614	Kopsia longiflora	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14454	Plectranthus lanuginosus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11584	Artemisia argentea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2667	Acacia lasiopetala	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27134	Euphrasia rubra	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8918	Plantago depressa	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8556	Eucalyptus kitsoniana	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5995	Spartium junceum	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10527	Cyathula tomentosa	Species	Amaranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26381	Bombus pascuorum	Species	Apidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15513	Pseudocyphellaria rubella	Species	Lobariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15806	Rhododendron campylocarpum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3477	Plantago asiatica	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1777	Toddalia aculeata	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9299.3	Hordeum vulgare var. distichon	Varieties	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8142	Pinus pumilio	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15718	Lindera sericea	Species	Tineidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1124	Scapania aequiloba	Species	Scapaniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5137	Myristica malabarica	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15108	Angiopteris evecta	Species	Marattiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8101	Rehmannia glutinosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13460	Asphodeline damascena	Species	Asphodelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16076	Penicillium chrysogenum	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9917	Plagiomnium cuspidatum	Species	Mniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27031	Methanosarcina barkeri	Species	Methanosarcinaceae	Archaea	n.a.	n.a.	n.a.	Database[UNPD]
NPO10680	Cistanche deserticola	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15898	Streptomyces noursei	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO22101	Himantoglossum hircinum	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15404	Streptomyces erythrochromogenes	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO25577	Samuela carnerosana	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO26951	Gymnopus androsaceus	Species	Omphalotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13743	Populus yunnanensis	Species	Salicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18116	Dregea volubilis	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20106	Polygala sabulosa	Species	Polygalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16786	Fagus pumilio	Species	Fagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12110	Bauhinia tarapotensis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5912	Globularia alypum	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11243	Exochorda giraldii	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1939	Swartzia langsdorffii	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14327	Scabiosa comosa	Species	Caprifoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12777	Laurencia pacifica	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19048	Pinellia ternata	Species	Araceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15817	Alternaria scirpicola	Species	Pleosporaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12480	Brodiaea californica	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4129	Veronica persica	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21851	Chaetomella raphigera	Species	Chaetomellaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14965	Lepidophorum repandum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20240	Discodermia calyx	Species	Theonellidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17830	Adonis aleppica	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18558	Abies alba	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29322	Rhodanthe maryonii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO77	Brandisia hancei	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6610	Markhamia lutea	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4039	Verbascum pseudonobile	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15621	Lethasterias fusca	Species	Asteriidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO982	Phlomis brunneogaleata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28152	Jacaranda caucana	Species	Bignoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13153	Callicarpa macrophylla	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3734	Vigna umbellata	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6964	Cistanche tubulosa	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14003	Crotalaria lachnosema	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8446	Alnus mandshurica	Species	Betulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1009	Stentor coeruleus	Species	Stentoridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13914	Fraxinus ornus	Species	Oleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4203	Phlomoides rotata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3828	Cereus pachanoi	Species	Sagartiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23170	Orobanche coerulescens	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23388	Phyla dulcis	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20437	Chrysothamnus stylosus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21509	Laurencia similis	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20303	Artemisia kulbadica	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12103	Salvia ballotiflora	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21591	Psorothamnus polydenius	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25682	Acorus calamus	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16365	Ageratum tomentosum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14242	Maytenus laevis	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12751	Ajuga japonica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4838	Phlomis umbrosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20856	Pyrethrum santolinoides	n.a.	n.a.	n.a.	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
NPO48361	Clerodendrum glandulosum	n.a.	Leaves	3.71Â±0.33	n.a.	n.a.	mg/g	PMID[39621736]
NPO48361	Clerodendrum glandulosum	n.a.	Leaves	5.19Â±0.20	n.a.	n.a.	mg/g	PMID[39621736]
NPO48361	Clerodendrum glandulosum	n.a.	Leaves	78.10Â±0.17	n.a.	n.a.	mg/g	PMID[39621736]
NPO48361	Clerodendrum glandulosum	n.a.	Leaves	29.81Â±0.67	n.a.	n.a.	mg/g	PMID[39621736]

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	13
Inhibition	16
ED50	1
Activity	9
EC50	4
Ratio IC50/EC50	2

Activity Type	# Activity
Individual protein	10
Cell line	16
Others	6
Organism	7
No target	2
Non-molecular	4

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT280	Individual protein	Matrix metalloproteinase 9	Homo sapiens	IC50	=	14280.0	nM	PMID[22658537]
NPT1089	Individual protein	Matrix metalloproteinase 12	Homo sapiens	IC50	=	8220.0	nM	PMID[22658537]
NPT1090	Individual protein	Matrix metalloproteinase 13	Homo sapiens	IC50	=	11090.0	nM	PMID[22658537]
NPT280	Individual protein	Matrix metalloproteinase 9	Homo sapiens	Inhibition	>	30.0	%	PMID[22658537]
NPT1089	Individual protein	Matrix metalloproteinase 12	Homo sapiens	Inhibition	>	30.0	%	PMID[22658537]
NPT1090	Individual protein	Matrix metalloproteinase 13	Homo sapiens	Inhibition	>	30.0	%	PMID[22658537]
NPT567	Individual protein	Matrix metalloproteinase 3	Homo sapiens	IC50	=	91410.0	nM	PMID[22658537]
NPT567	Individual protein	Matrix metalloproteinase 3	Homo sapiens	Inhibition	>	30.0	%	PMID[22658537]
NPT568	Individual protein	Matrix metalloproteinase-2	Homo sapiens	IC50	=	8960.0	nM	PMID[22658537]
NPT568	Individual protein	Matrix metalloproteinase-2	Homo sapiens	Inhibition	>	30.0	%	PMID[22658537]

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT168	Cell line	P388	Mus musculus	ED50	=	10.0	ug ml-1	PMID[2380718]
NPT927	Cell line	PBMC	Homo sapiens	Activity	=	101.5	pg/ml	PMID[15568791]
NPT927	Cell line	PBMC	Homo sapiens	Activity	=	175.5	pg/ml	PMID[15568791]
NPT927	Cell line	PBMC	Homo sapiens	Activity	<	7.8	pg/ml	PMID[15568791]
NPT993	Cell line	Hepatocyte	Mus musculus	Inhibition	=	43.7	%	PMID[20159656]
NPT993	Cell line	Hepatocyte	Mus musculus	Inhibition	=	57.3	%	PMID[20159656]
NPT993	Cell line	Hepatocyte	Mus musculus	Inhibition	=	101.2	%	PMID[20159656]
NPT993	Cell line	Hepatocyte	Mus musculus	IC50	=	5300.0	nM	PMID[20159656]
NPT1460	Cell line	L929	Mus musculus	Inhibition	=	-4.6	%	PMID[20159656]
NPT1460	Cell line	L929	Mus musculus	Inhibition	=	19.0	%	PMID[20159656]
NPT1460	Cell line	L929	Mus musculus	Inhibition	=	61.9	%	PMID[20159656]
NPT1460	Cell line	L929	Mus musculus	Inhibition	=	102.4	%	PMID[20159656]
NPT1460	Cell line	L929	Mus musculus	IC50	=	22.7	ug.mL-1	PMID[20159656]
NPT70	Organism	Respiratory syncytial virus	Respiratory syncytial virus	EC50	=	0.17	ug.mL-1	PMID[9599250]
NPT70	Organism	Respiratory syncytial virus	Respiratory syncytial virus	EC50	=	1.1	ug.mL-1	PMID[9599250]
NPT70	Organism	Respiratory syncytial virus	Respiratory syncytial virus	EC50	=	0.62	ug.mL-1	PMID[9599250]
NPT28833	No target	No relevant target	n.a.	IC50	=	0.16	ug.mL-1	PMID[34999211]
NPT28833	No target	No relevant target	n.a.	IC50	=	3.0	ug.mL-1	PMID[34999211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	1.228	n.a.	PMID[11473417]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	24.6	n.a.	PMID[11473417]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	7.2	n.a.	PMID[11473417]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	1200.0	nM	PMID[19361168]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	1300.0	nM	PMID[11473417]
NPT1	Others	Radical scavenging activity	n.a.	IC50	=	20000.0	nM	PMID[16124783]
NPT2	Others	Unspecified	n.a.	Ratio IC50/EC50	=	735.0	n.a.	PMID[9599250]
NPT2	Others	Unspecified	n.a.	Ratio IC50/EC50	=	84.0	n.a.	PMID[9599250]
NPT2	Others	Unspecified	n.a.	IC50	>	100000.0	nM	PMID[20159656]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	46.1	%	PMID[20159656]
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	70.9	%	PMID[20159656]
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	40.2	%	PMID[20159656]
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	58.7	%	PMID[20159656]

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 NPC64141 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	14872
0.1-0.2	30719
0.2-0.3	3613
0.3-0.4	477
0.4-0.5	106
0.5-0.6	42
0.6-0.7	18
0.7-0.8	0
0.8-0.85	1
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8667	High Similarity	NPC205195
0.84	Intermediate Similarity	NPC235294
0.7738	Intermediate Similarity	NPC476397
0.7671	Intermediate Similarity	NPC287597
0.7529	Intermediate Similarity	NPC600370
0.7143	Intermediate Similarity	NPC476383
0.7143	Intermediate Similarity	NPC611289
0.7024	Intermediate Similarity	NPC76406
0.7013	Intermediate Similarity	NPC34293
0.6829	Remote Similarity	NPC81515
0.6813	Remote Similarity	NPC141455
0.6786	Remote Similarity	NPC472350
0.6786	Remote Similarity	NPC197316
0.6786	Remote Similarity	NPC89105
0.6632	Remote Similarity	NPC476398
0.6629	Remote Similarity	NPC205864
0.6629	Remote Similarity	NPC298257
0.6629	Remote Similarity	NPC247032
0.6629	Remote Similarity	NPC175214
0.6383	Remote Similarity	NPC106818
0.6344	Remote Similarity	NPC300894
0.6344	Remote Similarity	NPC23845
0.6333	Remote Similarity	NPC269141
0.6322	Remote Similarity	NPC68092
0.6282	Remote Similarity	NPC288416
0.6122	Remote Similarity	NPC87403
0.6111	Remote Similarity	NPC47471
0.5949	Remote Similarity	NPC470572
0.5914	Remote Similarity	NPC252292
0.5909	Remote Similarity	NPC483706
0.5889	Remote Similarity	NPC265648
0.5882	Remote Similarity	NPC188393
0.5876	Remote Similarity	NPC476384
0.5851	Remote Similarity	NPC112
0.5789	Remote Similarity	NPC100998
0.5682	Remote Similarity	NPC260425
0.5667	Remote Similarity	NPC483705
0.5657	Remote Similarity	NPC196063
0.5657	Remote Similarity	NPC604195
0.5618	Remote Similarity	NPC46137
0.561	Remote Similarity	NPC229784
0.5595	Remote Similarity	NPC35731
0.557	Remote Similarity	NPC84789
0.5567	Remote Similarity	NPC610636
0.5556	Remote Similarity	NPC321638
0.5542	Remote Similarity	NPC886
0.5521	Remote Similarity	NPC119537
0.5506	Remote Similarity	NPC220942
0.549	Remote Similarity	NPC64195
0.5465	Remote Similarity	NPC219677
0.5446	Remote Similarity	NPC476380
0.5446	Remote Similarity	NPC476381
0.5408	Remote Similarity	NPC96795
0.5408	Remote Similarity	NPC264632
0.5354	Remote Similarity	NPC259347
0.5352	Remote Similarity	NPC147654
0.5263	Remote Similarity	NPC263829
0.5248	Remote Similarity	NPC476375
0.5189	Remote Similarity	NPC229505
0.5172	Remote Similarity	NPC55608
0.5158	Remote Similarity	NPC476377
0.5155	Remote Similarity	NPC34587
0.5152	Remote Similarity	NPC34927
0.5096	Remote Similarity	NPC470933
0.5093	Remote Similarity	NPC476386
0.5063	Remote Similarity	NPC476873
0.5059	Remote Similarity	NPC477293
0.5057	Remote Similarity	NPC157898
0.5051	Remote Similarity	NPC296954

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC64141 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	4954
0.1-0.2	4121
0.2-0.3	71
0.3-0.4	3
0.4-0.5	0
0.5-0.6	0
0.6-0.7	1
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.6786	Remote Similarity	NPD7266	Phase 2

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