NPASS Compound

Natural Product: NPC190036

Natural Product ID	NPC190036
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	FCSRUSQUAVXUKK-VNHYZAJKSA-N
IUPAC Name	n.a.
Synonyms
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	n.a.
PubChem CID	92762
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000012] Lipids and lipid-like molecules [CHEMONTID:0000259] Prenol lipids [CHEMONTID:0001550] Sesquiterpenoids [CHEMONTID:0000101] Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids

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 42 43 0 0 0 0 0 0 0 0999 V2000 -1.3003 -2.6713 1.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7034 -1.6398 0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9835 -1.6048 -0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3031 -0.5096 -1.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 0.7980 -0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 0.7443 -0.0543 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4990 1.0178 1.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6355 1.8672 -0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8019 1.7405 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3677 0.4041 -0.6397 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5961 -0.6941 0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8196 -0.5991 -0.3701 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8408 0.3521 -0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1372 0.5607 1.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3762 -0.9986 -0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4615 1.3404 -1.0798 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3808 -2.4511 1.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2589 -3.6476 0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1253 -2.7856 1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7291 -2.3054 0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4027 -0.4712 -1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7966 -0.7055 -2.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5835 1.0672 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9634 1.5759 -1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7228 2.1121 1.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5526 0.8153 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3536 0.4892 1.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 1.8271 -1.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0198 2.8312 -0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8239 1.8343 0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4157 2.5292 -0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 0.2569 -1.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -1.6931 -0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.5783 1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8424 -0.7107 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8113 -0.2990 1.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2392 0.6205 1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7315 1.5234 1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4869 -0.9996 -0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.7997 -0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -1.1605 -1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9261 2.0174 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 1 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 13 15 1 0 13 16 1 0 12 2 1 0 12 6 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 7 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 6 11 33 1 0 11 34 1 0 12 35 1 6 14 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 M END

Standard InCHIKey	FCSRUSQUAVXUKK-VNHYZAJKSA-N
Standard InCHI	InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15-/m1/s1
SMILES	CC1=CCC[C@]2(C)CC[C@H](C[C@@H]12)C(C)(C)O

Calculated Properties

Physi-Chem Properties

Molecular Weight:	222.2	Volume:	257.037 ? Van der Waals volume.
Dense:	0.864	LogP:	3.225 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	3.175 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-2.933 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	1.0	Rigid Bonds:	11.0
TPSA:	20.23 ? Topological Polar Surface Area.	H-Bond Acceptor:	1.0
H-Bond Donor:	1.0	Rings:	2.0
Heavy Atoms:	1.0

MedChem Properties

QED Drug-Likeness Score:	0.667	GASA:	1.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	4.007	Fsp³:	0.867
MCE-18:	38.571 ? MCE-18 stands for medicinal chemistry evolution.MCE-18≥45 is considered a suitable value.	Lipinski Rule-of-5:	Rejected
Pfizer Rule:	Accepted	GSK Rule:	Rejected
Golden Triangle Rule:	Rejected	BMS Rule:	0
Chelating Alert:	0	PAINS Alert:	0
Colloidal aggregators:	0.125	Fluc inhibitor:	0.228 ? The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:	0.003 ? The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1	Green fluorescence:	0.0 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.93	Promiscuous compounds:	0.334

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-4.438	MDCK Permeability:	-4.675
Pgp-inhibitor:	0.572	Pgp-substrate:	0.033
PAMPA:	0.117 ? 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):	0.001
20% Bioavailability (F20%):	0.016	30% Bioavailability (F30%):	0.01
50% Bioavailability (F50%):	0.238

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.957	MRP1:	0.575
Plasma Protein Binding (PPB):	91.316%	Volume Distribution (VD):	-0.176
Fu:	9.202% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	0.993
OATP1B3 inhibitor:	0.917	BCRP inhibitor:	0.543
BSEP inhibitor:	0.949

ADMET: Metabolism

CYP1A2-inhibitor:	0.256	CYP1A2-substrate:	0.934
CYP2C19-inhibitor:	0.998	CYP2C19-substrate:	0.076
CYP2C9-inhibitor:	0.635	CYP2C9-substrate:	0.005
CYP2D6-inhibitor:	0.993	CYP2D6-substrate:	0.951
CYP3A4-inhibitor:	0.566	CYP3A4-substrate:	1.0
CYP2B6-substrate:	0.0	CYP2C8-inhibitor:	0.895
HLM stability:	0.966 ? 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):

10.953

Half-life (T1/2):

1.236

ADMET: Toxicity

hERG Blockers:	0.033	hERG Blockers (10um):	0.145
Human Hepatotoxicity (H-HT):	0.701	Drug-induced Liver Injury (DILI):	0.313
AMES Toxicity:	0.301	Rat Oral Acute Toxicity:	0.101
Maximum Recommended Daily Dose:	0.23	Skin Sensitization:	0.941
Carcinogencity:	0.898	Eye Corrosion:	0.713
Eye Irritation:	0.976	Respiratory Toxicity:	0.471
Drug-induced Neurotoxicity:	0.147	Ototoxicity:	0.407
Hematotoxicity:	0.582	Drug-induced Nephrotoxicity:	0.552
Genotoxicity:	0.141	RPMI-8226 Immunitoxicity:	0.029
A549 Cytotoxicity:	0.048	Hek293 Cytotoxicity:	0.185
BCF:	2.407 ? 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:	4.269 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	5.383 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	5.006 ? 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
NPO15299	Sandoricum koetjape	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10479314]
NPO12483	Holarrhena floribunda	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10650079]
NPO1859	Lantana camara	Species	Verbenaceae	Eukaryota	aerial parts	n.a.	n.a.	PMID[10869197]
NPO25148	Helichrysum italicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11678669]
NPO15299	Sandoricum koetjape	Species	Meliaceae	Eukaryota	stems	n.a.	n.a.	PMID[1517737]
NPO13353	Sedum sarmentosum	Species	Crassulaceae	Eukaryota	n.a.	aerial part	n.a.	PMID[15577228]
NPO13465	Salvia broussonetii	Species	Lamiaceae	Eukaryota	roots	n.a.	n.a.	PMID[15969497]
NPO12483	Holarrhena floribunda	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16441070]
NPO11274	Schinus molle	Species	Anacardiaceae	Eukaryota	n.a.	leaf	n.a.	PMID[16521111]
NPO15538	Eucalyptus citriodora	Species	Myrtaceae	Eukaryota	Leaves	the campus of Panjab University, Chandigarh, India		PMID[16989303]
NPO1859	Lantana camara	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[1812212]
NPO11791	Magnolia obovata	Species	Magnoliaceae	Eukaryota	n.a.	stem	n.a.	PMID[18175990]
NPO16087	Atractylodes lancea	Species	Asteraceae	Eukaryota	n.a.	rhizome	n.a.	PMID[18787781]
NPO12483	Holarrhena floribunda	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19299148]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	leaves	n.a.	n.a.	PMID[19327990]
NPO13135	Campylotropis hirtella	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19481938]
NPO30686	Citrus hystrix	Species	Rutaceae	Eukaryota	n.a.	exocarp	n.a.	PMID[20964319]
NPO16087	Atractylodes lancea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21302967]
NPO11791	Magnolia obovata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21625478]
NPO163.2	Daucus carota subsp. sativus	Varieties	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21800857]
NPO163.2	Daucus carota subsp. sativus	Varieties	Apiaceae	Eukaryota	n.a.	phloem	n.a.	PMID[21800857]
NPO163.2	Daucus carota subsp. sativus	Varieties	Apiaceae	Eukaryota	n.a.	root	n.a.	PMID[21800857]
NPO163.2	Daucus carota subsp. sativus	Varieties	Apiaceae	Eukaryota	n.a.	periderm	n.a.	PMID[21800857]
NPO13353	Sedum sarmentosum	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22085682]
NPO14822	Salvia sclarea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22264035]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	Stems	n.a.	n.a.	PMID[22372931]
NPO15299	Sandoricum koetjape	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22672802]
NPO25148	Helichrysum italicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24094434]
NPO15538	Eucalyptus citriodora	Species	Myrtaceae	Eukaryota	Essential oil	n.a.	n.a.	PMID[24641242]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	Roots	n.a.	n.a.	PMID[24798144]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	Leaves	n.a.	n.a.	PMID[26523463]
NPO13745	Gynoxys verrucosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27057812]
NPO16087	Atractylodes lancea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27228227]
NPO15190	Chloranthus fortunei	Species	Chloranthaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27997206]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	Seeds	n.a.	n.a.	PMID[28134521]
NPO12796	Periploca sepium	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28294615]
NPO6698	Euphorbia pithyusa	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28671832]
NPO51858	Deverra tortuosa	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29656657]
NPO40427	Ailanthus altissima	Species	Simaroubaceae	Eukaryota	Roots	n.a.	n.a.	PMID[30106297]
NPO163.2	Daucus carota subsp. sativus	Varieties	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30632261]
NPO52646	Baccharis oreophila	Genus	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30673172]
NPO63633	Phlomis bucharica	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30919659]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30970599]
NPO522	Oenanthe javanica	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31125231]
NPO865	Dendrobium loddigesii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31291099]
NPO11274	Schinus molle	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31475446]
NPO57253	Solanum rugosum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31581848]
NPO17930	Ambrosia trifida	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31692228]
NPO47192	Salvia africana-lutea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31958659]
NPO43334	Salvia chamelaeagnea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31958659]
NPO14774	Cymbopogon schoenanthus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32286731]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32415726]
NPO48247	Helichrysum araxinum Takht. ex Kirp.	Genus	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32619198]
NPO1859	Lantana camara	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33780581]
NPO6415	Juniperus excelsa	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34203980]
NPO20275	Juniperus sabina	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34203980]
NPO54179	Magnolia sumatrana var. glauca	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34328033]
NPO43317	Thymus leucotrichus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34405529]
NPO25148	Helichrysum italicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34762977]
NPO19524	Cymbopogon winterianus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34946632]
NPO14774	Cymbopogon schoenanthus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34946632]
NPO24416	Artemisia tournefortiana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35508595]
NPO19524	Cymbopogon winterianus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35566105]
NPO55876	Neuropeltis acuminata	Species	Convolvulaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35744884]
NPO45790	Cinnamomum parthenoxylon	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36201005]
NPO55948	Salvia dentata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36235019]
NPO60267	Salvia africana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36235019]
NPO43334	Salvia chamelaeagnea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36235019]
NPO25148	Helichrysum italicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36235438]
NPO1859	Lantana camara	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36270431]
NPO62555	Salvia fruticosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36615289]
NPO50341	Salsola imbricata	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36671701]
NPO40427	Ailanthus altissima	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36671701]
NPO19524	Cymbopogon winterianus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36677603]
NPO14822	Salvia sclarea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36982252]
NPO14822	Salvia sclarea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36987013]
NPO51673	Lippia lacunosa	Genus	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37059251]
NPO47617	Echinops polyceras	Genus	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37241978]
NPO51858	Deverra tortuosa	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37447117]
NPO25148	Helichrysum italicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37513174]
NPO11274	Schinus molle	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37606013]
NPO24110	Lippia alba	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37631258]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37667613]
NPO19524	Cymbopogon winterianus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37687142]
NPO47860	Gonystylus bancanus	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37709800]
NPO42911	Vitex pseudo-negundo	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37822892]
NPO14822	Salvia sclarea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37836125]
NPO51912	Eucalyptus extensa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37894690]
NPO58144	Eucalyptus leptophyll	Genus	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37894690]
NPO43140	Eucalyptus woolsiana	Genus	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37894690]
NPO20275	Juniperus sabina	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37894884]
NPO23312	Matricaria aurea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37896017]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37917799]
NPO62555	Salvia fruticosa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38001843]
NPO63537	Syzygium acuminatissimum	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38005226]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38005226]
NPO42174	Syzygium buxifolium	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38005226]
NPO30686	Citrus hystrix	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38067483]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38067590]
NPO58085	Eucalyptus obliqua	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38125419]
NPO49814	Eucalyptus griffthsii	Genus	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38125419]
NPO61898	Eucalyptus Lesouefii	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38125419]
NPO1859	Lantana camara	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38257257]
NPO6415	Juniperus excelsa	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38330006]
NPO7127	Artemisia alba	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38538562]
NPO14822	Salvia sclarea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38611827]
NPO40427	Ailanthus altissima	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38672940]
NPO47860	Gonystylus bancanus	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38802441]
NPO61571	Ocimum basilicum L	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38868453]
NPO1859	Lantana camara	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38893531]
NPO24110	Lippia alba	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38897034]
NPO48839	Thymus ciliatus	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39063231]
NPO11747	Ocimum tenuiflorum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39073007]
NPO48313	Goniothalamus touranensis	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39102300]
NPO1859	Lantana camara	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39104562]
NPO14822	Salvia sclarea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39147955]
NPO51858	Deverra tortuosa	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39384959]
NPO14774	Cymbopogon schoenanthus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39545686]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39588261]
NPO11274	Schinus molle	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39595640]
NPO19438	Alpinia nutans	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39692462]
NPO50341	Salsola imbricata	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39711973]
NPO25118	Centaurea benedicta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39771277]
NPO40427	Ailanthus altissima	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[6619885]
NPO16087	Atractylodes lancea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[9544564]
NPO1859	Lantana camara	Species	Verbenaceae	Eukaryota	leaves	n.a.	n.a.	PMID[9834145]
NPO8583	Angelica japonica	Species	Apiaceae	Eukaryota	n.a.	root	n.a.	PMID[9987830]
NPO17336	Benincasa hispida	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO1859	Lantana camara	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20275	Juniperus sabina	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO2568	Posidonia oceanica	Species	Posidoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO16087	Atractylodes lancea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11791	Magnolia obovata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO30686	Citrus hystrix	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO1257	Distephanus angulifolius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO10922	Pentaclethra macrophylla	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11747	Ocimum tenuiflorum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO7773	Crinum moorei	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO40427	Ailanthus altissima	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9704	Sonneratia caseolaris	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO24416	Artemisia tournefortiana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15299	Sandoricum koetjape	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15190	Chloranthus fortunei	Species	Chloranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO25148	Helichrysum italicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO3482	Alpinia flabellata	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12018	Alternaria bataticola	Species	Pleosporaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO8583	Angelica japonica	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO10905	Baccharis truncata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO18026	Bipolaris sacchari	Species	Pleosporaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO7009	Callyspongia spinosissima	Species	Callyspongiidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO25118	Centaurea benedicta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO27148	Chuquiraga erinacea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11592	Cuphea hyssopifolia	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO5998	Echinoclathria subhispida	Species	Microcionidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13617	Eria rigida	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17166	Euphorbia palustris	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO6698	Euphorbia pithyusa	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13228	Farfugium japonicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO4282	Fouquieria diguetii	Species	Fouquieriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO7844	Fritillaria hupehensis	Species	Liliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13745	Gynoxys verrucosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12483	Holarrhena floribunda	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO2680	Holothuria squamifera	Species	Holothuriidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15992	Hypogymnia vittata	Species	Parmeliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9133	Lathyrus latifolius	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14194	Mamestra brassicae	Species	Noctuidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11246	Ononis viscosa	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO8721	Parectatosoma mocquerysi	Species	Anisacanthidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15514	Pedicularis rex	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO273	Phyllobates bicolor	Species	Dendrobatidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO10532	Pinus edulis	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO2043	Pseudocyphellaria coronata	Species	Lobariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9538	Pterocarpus erinaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO10048	Pyrus bourgaeana	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13465	Salvia broussonetii	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13353	Sedum sarmentosum	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14329	Sigillina signifera	Species	Polycitoridae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17358	Sorbus torminalis	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15405	Suaeda maritima	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13018	Thelephora aurantiotincta	Species	Thelephoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO2070	Thioalkalivibrio versutus	Species	Ectothiorhodospiraceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14455	Triunia erythrocarpa	Species	Proteaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO6415	Juniperus excelsa	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12796	Periploca sepium	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO23312	Matricaria aurea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO522	Oenanthe javanica	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO24110	Lippia alba	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11274	Schinus molle	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14774	Cymbopogon schoenanthus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9319	Pterocaulon virgatum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14822	Salvia sclarea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO865	Dendrobium loddigesii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO50341	Salsola imbricata	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12205	Eucalyptus apodophylla	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	Bark	n.a.	n.a.	Database[FooDB]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO17336	Benincasa hispida	Species	Cucurbitaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO10532	Pinus edulis	Species	Pinaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	Stem Bark	n.a.	n.a.	Database[FooDB]
NPO17336	Benincasa hispida	Species	Cucurbitaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO10532	Pinus edulis	Species	Pinaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO7773	Crinum moorei	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO12796	Periploca sepium	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17336	Benincasa hispida	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13353	Sedum sarmentosum	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20275	Juniperus sabina	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO1859	Lantana camara	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO16087	Atractylodes lancea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13228	Farfugium japonicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17566	Magnolia biloba	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13135	Campylotropis hirtella	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14822	Salvia sclarea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25148	Helichrysum italicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11791	Magnolia obovata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO522	Oenanthe javanica	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO865	Dendrobium loddigesii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO6731	Ononis spinosa	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19524	Cymbopogon winterianus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7844	Fritillaria hupehensis	Species	Liliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13018	Thelephora aurantiotincta	Species	Thelephoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO12483	Holarrhena floribunda	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8583	Angelica japonica	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15538	Eucalyptus citriodora	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO522	Oenanthe javanica	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12796	Periploca sepium	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16087	Atractylodes lancea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20275	Juniperus sabina	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1859	Lantana camara	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13228	Farfugium japonicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8583	Angelica japonica	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14822	Salvia sclarea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13353	Sedum sarmentosum	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7844	Fritillaria hupehensis	Species	Liliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6731	Ononis spinosa	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17336	Benincasa hispida	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15299	Sandoricum koetjape	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11791	Magnolia obovata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7773	Crinum moorei	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13018	Thelephora aurantiotincta	Species	Thelephoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17566	Magnolia biloba	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25148	Helichrysum italicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12483	Holarrhena floribunda	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13135	Campylotropis hirtella	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19524	Cymbopogon winterianus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3482	Alpinia flabellata	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9133	Lathyrus latifolius	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO865	Dendrobium loddigesii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16087	Atractylodes lancea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO20275	Juniperus sabina	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO13353	Sedum sarmentosum	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO865	Dendrobium loddigesii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO1859	Lantana camara	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17566	Magnolia biloba	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO13228	Farfugium japonicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO522	Oenanthe javanica	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO11791	Magnolia obovata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO163.2	Daucus carota subsp. sativus	Varieties	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO12796	Periploca sepium	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17166	Euphorbia palustris	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9133	Lathyrus latifolius	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17336	Benincasa hispida	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14822	Salvia sclarea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO6731	Ononis spinosa	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO16087	Atractylodes lancea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO11791	Magnolia obovata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO12796	Periploca sepium	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO7844	Fritillaria hupehensis	Species	Liliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO865	Dendrobium loddigesii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO13353	Sedum sarmentosum	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO17336	Benincasa hispida	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO14194	Mamestra brassicae	Species	Noctuidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1815	Breonia chinensis	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9704	Sonneratia caseolaris	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23384	Rhodiola semenovii	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO865	Dendrobium loddigesii	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11747	Ocimum tenuiflorum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10638	Plectranthus myrianthus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3873	Crotalaria candicans	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11843	Stephania zippeliana	Species	Menispermaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12565	Hypericum polyanthemum	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11190	Veronica polita	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8721	Parectatosoma mocquerysi	Species	Anisacanthidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10922	Pentaclethra macrophylla	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5043	Eria japonica	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6698	Euphorbia pithyusa	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8934	Gypsophila perfoliata	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15514	Pedicularis rex	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25118	Centaurea benedicta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9532	Vernonia cistifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14329	Sigillina signifera	Species	Polycitoridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15405	Suaeda maritima	Species	Chenopodiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13135	Campylotropis hirtella	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6289	Ceropegia dichotoma	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5456	Juniperus drupacea	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8583	Angelica japonica	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7773	Crinum moorei	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12018	Alternaria bataticola	Species	Pleosporaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11592	Cuphea hyssopifolia	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4282	Fouquieria diguetii	Species	Fouquieriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2680	Holothuria squamifera	Species	Holothuriidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10905	Baccharis truncata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11791	Magnolia obovata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13353	Sedum sarmentosum	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1257	Distephanus angulifolius	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15190	Chloranthus fortunei	Species	Chloranthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10532	Pinus edulis	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13745	Gynoxys verrucosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5998	Echinoclathria subhispida	Species	Microcionidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24110	Lippia alba	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12796	Periploca sepium	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13228	Farfugium japonicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9319	Pterocaulon virgatum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21720	Talaromyces variabilis	Species	Trichocomaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7822.1	Eucalyptus globulus subsp. bicostata	Subspecies	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12091	Martensia denticulata	Species	Delesseriaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2568	Posidonia oceanica	Species	Posidoniaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO526	Salvia sessei	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6731	Ononis spinosa	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15538	Eucalyptus citriodora	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9133	Lathyrus latifolius	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12205	Eucalyptus apodophylla	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13617	Eria rigida	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11576	Glycosmis macrophylla	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12483	Holarrhena floribunda	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2043	Pseudocyphellaria coronata	Species	Lobariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10605	Tristania conferta	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24416	Artemisia tournefortiana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22691	Mentha cardiaca	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9538	Pterocarpus erinaceus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7844	Fritillaria hupehensis	Species	Liliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15992	Hypogymnia vittata	Species	Parmeliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17358	Sorbus torminalis	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10048	Pyrus bourgaeana	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15299	Sandoricum koetjape	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27148	Chuquiraga erinacea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO273	Phyllobates bicolor	Species	Dendrobatidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11246	Ononis viscosa	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14455	Triunia erythrocarpa	Species	Proteaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18026	Bipolaris sacchari	Species	Pleosporaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17566	Magnolia biloba	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17336	Benincasa hispida	Species	Cucurbitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17166	Euphorbia palustris	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3482	Alpinia flabellata	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1859	Lantana camara	Species	Verbenaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7009	Callyspongia spinosissima	Species	Callyspongiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2070	Thioalkalivibrio versutus	Species	Ectothiorhodospiraceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO16087	Atractylodes lancea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13018	Thelephora aurantiotincta	Species	Thelephoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6415	Juniperus excelsa	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13465	Salvia broussonetii	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO522	Oenanthe javanica	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17930	Ambrosia trifida	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7127	Artemisia alba	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20275	Juniperus sabina	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14822	Salvia sclarea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23312	Matricaria aurea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14774	Cymbopogon schoenanthus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11274	Schinus molle	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19438	Alpinia nutans	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25148	Helichrysum italicum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19524	Cymbopogon winterianus	Species	Poaceae	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
NPO11274	Schinus molle	Oil	n.a.	2.89	n.a.	n.a.	%	PMID[31475446]
NPO11274	Schinus molle	Oil	n.a.	0.8	n.a.	n.a.	%	PMID[31475446]
NPO11274	Schinus molle	Oil	n.a.	3.6	n.a.	n.a.	%	PMID[39595640]
NPO11747	Ocimum tenuiflorum	Oil	Leaves	0.1	n.a.	n.a.	%	PMID[39073007]
NPO11747	Ocimum tenuiflorum	Oil	Leaves	0.2	n.a.	n.a.	%	PMID[39073007]
NPO11747	Ocimum tenuiflorum	Oil	Leaves	0.3	n.a.	n.a.	%	PMID[39073007]
NPO11747	Ocimum tenuiflorum	Hydrosol	Leaves	0.1	n.a.	n.a.	%	PMID[39073007]
NPO14774	Cymbopogon schoenanthus	Oil	n.a.	1.2	n.a.	n.a.	%	PMID[32286731]
NPO14774	Cymbopogon schoenanthus	Oil	n.a.	1.1	n.a.	n.a.	%	PMID[32286731]
NPO14774	Cymbopogon schoenanthus	Oil	n.a.	2.3	n.a.	n.a.	%	PMID[32286731]
NPO14822	Salvia sclarea	Oil	n.a.	0.8	n.a.	n.a.	%	PMID[38611827]
NPO14822	Salvia sclarea	Oil	n.a.	0.7	n.a.	n.a.	%	PMID[38611827]
NPO14822	Salvia sclarea	Oil	n.a.	1.2	n.a.	n.a.	%	PMID[38611827]
NPO14822	Salvia sclarea	Oil	n.a.	0.1 Â± 0.01	n.a.	n.a.	%	PMID[37836125]
NPO15538	Eucalyptus citriodora	n.a.	Leaves	0.20 Â± 0.009	n.a.	n.a.	%	PMID[16989303]
NPO15538	Eucalyptus citriodora	n.a.	Leaves	0.46 Â± 0.018	n.a.	n.a.	%	PMID[16989303]
NPO15538	Eucalyptus citriodora	n.a.	Leaves	1.89 Â±0.134	n.a.	n.a.	%	PMID[16989303]
NPO163.2	Daucus carota subsp. sativus	Oil	n.a.	2.6	n.a.	n.a.	%	PMID[30632261]
NPO17930	Ambrosia trifida	Oil	n.a.	0.5	n.a.	n.a.	%	PMID[31692228]
NPO1859	Lantana camara	Oil	n.a.	0.4	n.a.	n.a.	%	PMID[33780581]
NPO19438	Alpinia nutans	Oil	n.a.	0.25	n.a.	n.a.	%	PMID[39692462]
NPO19438	Alpinia nutans	Oil	n.a.	0.15	n.a.	n.a.	%	PMID[39692462]
NPO19438	Alpinia nutans	Oil	n.a.	0.29	n.a.	n.a.	%	PMID[39692462]
NPO19438	Alpinia nutans	Oil	n.a.	0.27	n.a.	n.a.	%	PMID[39692462]
NPO19438	Alpinia nutans	Oil	n.a.	0.23	n.a.	n.a.	%	PMID[39692462]
NPO19438	Alpinia nutans	Oil	n.a.	0.28	n.a.	n.a.	%	PMID[39692462]
NPO19438	Alpinia nutans	Oil	n.a.	0.41	n.a.	n.a.	%	PMID[39692462]
NPO19438	Alpinia nutans	Oil	n.a.	0.36	n.a.	n.a.	%	PMID[39692462]
NPO19438	Alpinia nutans	Oil	n.a.	0.32	n.a.	n.a.	%	PMID[39692462]
NPO19438	Alpinia nutans	Oil	n.a.	0.31	n.a.	n.a.	%	PMID[39692462]
NPO19524	Cymbopogon winterianus	Oil	Roots	18.9	n.a.	n.a.	%	PMID[36677603]
NPO20275	Juniperus sabina	Oil	n.a.	0.35â€“0.67	n.a.	n.a.	%	PMID[34203980]
NPO20275	Juniperus sabina	Oil	n.a.	0.36â€“0.61	n.a.	n.a.	%	PMID[34203980]
NPO23312	Matricaria aurea	Oil	Aerial parts	0.1	n.a.	n.a.	%	PMID[37896017]
NPO23546	Clausena lansium	Oil	n.a.	0.08	n.a.	n.a.	%	PMID[30970599]
NPO23546	Clausena lansium	Oil	n.a.	0.31	n.a.	n.a.	%	PMID[30970599]
NPO23546	Clausena lansium	Oil	n.a.	0.10	n.a.	n.a.	%	PMID[30970599]
NPO23546	Clausena lansium	Oil	n.a.	0.02	n.a.	n.a.	%	PMID[30970599]
NPO23546	Clausena lansium	Oil	n.a.	0.25	n.a.	n.a.	%	PMID[30970599]
NPO23546	Clausena lansium	Oil	n.a.	0.70	n.a.	n.a.	%	PMID[30970599]
NPO24110	Lippia alba	Oil	n.a.	0.5	n.a.	n.a.	%	PMID[38897034]
NPO24416	Artemisia tournefortiana	Oil	n.a.	1.12	n.a.	n.a.	%	PMID[35508595]
NPO24416	Artemisia tournefortiana	Oil	n.a.	0.89	n.a.	n.a.	%	PMID[35508595]
NPO24416	Artemisia tournefortiana	Oil	n.a.	4.608	n.a.	n.a.	%	PMID[35508595]
NPO25148	Helichrysum italicum	n.a.	n.a.	4.09 Â± 0.99	n.a.	n.a.	%	PMID[36235438]
NPO25148	Helichrysum italicum	n.a.	n.a.	14.25 Â± 2.05	n.a.	n.a.	%	PMID[36235438]
NPO25148	Helichrysum italicum	n.a.	n.a.	19.54 Â± 0.84	n.a.	n.a.	%	PMID[36235438]
NPO25148	Helichrysum italicum	Oil	n.a.	0.6	n.a.	n.a.	%	PMID[34762977]
NPO30686	Citrus hystrix	Oil	n.a.	0.41	n.a.	n.a.	%	PMID[38067483]
NPO30686	Citrus hystrix	Oil	n.a.	0.06	n.a.	n.a.	%	PMID[38067483]
NPO40427	Ailanthus altissima	Oil	n.a.	1.2	n.a.	n.a.	%	PMID[36671701]
NPO42174	Syzygium buxifolium	Oil	Leaves	5.7	n.a.	n.a.	%	PMID[38005226]
NPO42911	Vitex pseudo-negundo	Oil	Flowers	0.2	n.a.	n.a.	%	PMID[37822892]
NPO43140	Eucalyptus woolsiana	Oil	n.a.	0.4	n.a.	n.a.	%	PMID[37894690]
NPO43317	Thymus leucotrichus	Oil	n.a.	3	n.a.	n.a.	%	PMID[34405529]
NPO43334	Salvia chamelaeagnea	Oil	n.a.	0.3	n.a.	n.a.	%	PMID[31958659]
NPO43334	Salvia chamelaeagnea	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[31958659]
NPO43334	Salvia chamelaeagnea	Oil	n.a.	0.9	n.a.	n.a.	%	PMID[31958659]
NPO43334	Salvia chamelaeagnea	Oil	n.a.	0.5	n.a.	n.a.	%	PMID[31958659]
NPO43334	Salvia chamelaeagnea	Oil	n.a.	0.00	n.a.	n.a.	%	PMID[36235019]
NPO43334	Salvia chamelaeagnea	Oil	n.a.	0.80	n.a.	n.a.	%	PMID[36235019]
NPO43334	Salvia chamelaeagnea	Oil	n.a.	0.15	n.a.	n.a.	%	PMID[36235019]
NPO43334	Salvia chamelaeagnea	Oil	n.a.	1.98	n.a.	n.a.	%	PMID[36235019]
NPO43334	Salvia chamelaeagnea	Oil	n.a.	2.64	n.a.	n.a.	%	PMID[36235019]
NPO45790	Cinnamomum parthenoxylon	Oil	Leaves	0.2	n.a.	n.a.	%	PMID[36201005]
NPO45790	Cinnamomum parthenoxylon	Oil	Leaves	0.1	n.a.	n.a.	%	PMID[36201005]
NPO45790	Cinnamomum parthenoxylon	Oil	Leaves	0	n.a.	n.a.	%	PMID[36201005]
NPO47192	Salvia africana-lutea	Oil	n.a.	12.1	n.a.	n.a.	%	PMID[31958659]
NPO47192	Salvia africana-lutea	Oil	n.a.	16.4	n.a.	n.a.	%	PMID[31958659]
NPO47192	Salvia africana-lutea	Oil	n.a.	1.3	n.a.	n.a.	%	PMID[31958659]
NPO47192	Salvia africana-lutea	Oil	n.a.	6.2	n.a.	n.a.	%	PMID[31958659]
NPO47192	Salvia africana-lutea	Oil	n.a.	18.2	n.a.	n.a.	%	PMID[31958659]
NPO47192	Salvia africana-lutea	Oil	n.a.	20.0	n.a.	n.a.	%	PMID[31958659]
NPO47617	Echinops polyceras	Hydro distillation	Inflorescences	0.31	n.a.	n.a.	%	PMID[37241978]
NPO47860	Gonystylus bancanus	Oil	n.a.	42.78	n.a.	n.a.	%	PMID[38802441]
NPO48247	Helichrysum araxinum Takht. ex Kirp.	Oil	n.a.	1.6Â±0.14	n.a.	n.a.	%	PMID[32619198]
NPO48313	Goniothalamus touranensis	Oil	n.a.	0.33	n.a.	n.a.	%	PMID[39102300]
NPO48839	Thymus ciliatus	Oil	n.a.	1.17	n.a.	n.a.	%	PMID[39063231]
NPO49814	Eucalyptus griffthsii	Oil	n.a.	1.6	n.a.	n.a.	%	PMID[38125419]
NPO50341	Salsola imbricata	Oil	n.a.	0.3	n.a.	n.a.	%	PMID[36671701]
NPO51673	Lippia lacunosa	Oil	Leaves	1.34	n.a.	n.a.	%	PMID[37059251]
NPO51858	Deverra tortuosa	Oil	n.a.	0.11	n.a.	n.a.	%	PMID[29656657]
NPO51858	Deverra tortuosa	Oil	n.a.	0.07	n.a.	n.a.	%	PMID[29656657]
NPO51912	Eucalyptus extensa	Oil	n.a.	2.8	n.a.	n.a.	%	PMID[37894690]
NPO52646	Baccharis oreophila	Oil	n.a.	0.9	n.a.	n.a.	%	PMID[30673172]
NPO54179	Magnolia sumatrana var. glauca	Oil	Bark	6.17	n.a.	n.a.	%	PMID[34328033]
NPO54179	Magnolia sumatrana var. glauca	Oil	Branches	1.08	n.a.	n.a.	%	PMID[34328033]
NPO55876	Neuropeltis acuminata	Oil	n.a.	2.1	n.a.	n.a.	%	PMID[35744884]
NPO55876	Neuropeltis acuminata	Oil	n.a.	0.6	n.a.	n.a.	%	PMID[35744884]
NPO55948	Salvia dentata	Oil	n.a.	0.00	n.a.	n.a.	%	PMID[36235019]
NPO55948	Salvia dentata	Oil	n.a.	2.28	n.a.	n.a.	%	PMID[36235019]
NPO57253	Solanum rugosum	Oil	n.a.	2.4	n.a.	n.a.	%	PMID[31581848]
NPO58085	Eucalyptus obliqua	Oil	n.a.	1.1	n.a.	n.a.	%	PMID[38125419]
NPO58144	Eucalyptus leptophyll	Oil	n.a.	0.6	n.a.	n.a.	%	PMID[37894690]
NPO60267	Salvia africana	Oil	n.a.	0.00	n.a.	n.a.	%	PMID[36235019]
NPO61571	Ocimum basilicum L	Oil	n.a.	3.97	n.a.	n.a.	%	PMID[38868453]
NPO61571	Ocimum basilicum L	Oil	n.a.	3.41	n.a.	n.a.	%	PMID[38868453]
NPO61571	Ocimum basilicum L	Oil	n.a.	2.91	n.a.	n.a.	%	PMID[38868453]
NPO61898	Eucalyptus Lesouefii	Oil	n.a.	20.2	n.a.	n.a.	%	PMID[38125419]
NPO62555	Salvia fruticosa	Oil	n.a.	0.05 Â± 0.00	n.a.	n.a.	%	PMID[38001843]
NPO63537	Syzygium acuminatissimum	Oil	Fruits	0.7	n.a.	n.a.	%	PMID[38005226]
NPO63633	Phlomis bucharica	Oil	n.a.	3.56	n.a.	n.a.	%	PMID[30919659]
NPO6415	Juniperus excelsa	Oil	n.a.	0.69â€“1.21	n.a.	n.a.	%	PMID[34203980]
NPO6415	Juniperus excelsa	Oil	n.a.	0.49â€“1.21	n.a.	n.a.	%	PMID[34203980]
NPO7127	Artemisia alba	Oil	n.a.	0.6	n.a.	n.a.	%	PMID[38538562]
NPO9138	Syzygium cumini	Oil	n.a.	0.62	n.a.	n.a.	%	PMID[32415726]

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

Biological Activity

Activity Type	# Activity
EC50	1

Activity Type	# Activity
Organism	1

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT471	Organism	Trypanosoma brucei brucei	Trypanosoma brucei brucei	EC50	=	450.0	nM	PMID[29019405]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference

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 NPC190036 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	21819
0.1-0.2	25993
0.2-0.3	1956
0.3-0.4	73
0.4-0.5	9
0.5-0.6	5
0.6-0.7	2
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	Natural Product ID
0.6316	Remote Similarity	NPC601655
0.6	Remote Similarity	NPC607002
0.575	Remote Similarity	NPC17518
0.5385	Remote Similarity	NPC264779
0.5385	Remote Similarity	NPC53720
0.5385	Remote Similarity	NPC610264
0.5135	Remote Similarity	NPC39068

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC190036 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	7170
0.1-0.2	1950
0.2-0.3	30
0.3-0.4	0
0.4-0.5	0
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	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
		NPD

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