NPASS Compound

Natural Product: NPC258672

Natural Product ID	NPC258672
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	Fenchone
IUPAC Name	2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
Synonyms
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	CHEMBL2268554
PubChem CID	14525
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000012] Lipids and lipid-like molecules [CHEMONTID:0000259] Prenol lipids [CHEMONTID:0001549] Monoterpenoids [CHEMONTID:0001564] Bicyclic monoterpenoids

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 27 28 0 0 0 0 0 0 0 0999 V2000 0.2390 2.3080 -0.0962 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0984 1.1168 0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2191 0.3952 0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2903 1.1629 0.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5251 -0.2589 -1.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 -1.2138 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -1.1928 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1869 0.0725 0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8519 0.1082 1.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1468 0.2977 -1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -0.8295 0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2674 0.9680 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3784 0.9448 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 2.2590 0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6177 0.4264 -2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4412 -0.8793 -1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -2.2319 -1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2902 -0.8312 -2.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8976 -2.1001 0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6768 -0.8588 2.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 0.9509 2.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9549 0.2365 1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8945 1.0697 -0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -0.6014 -1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6567 0.7416 -1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3343 -0.4626 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5139 -1.5980 0.9838 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 7 11 1 0 8 2 1 0 11 3 1 0 4 12 1 0 4 13 1 0 4 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 6 18 1 0 7 19 1 0 9 20 1 0 9 21 1 0 9 22 1 0 10 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 M END

Standard InCHIKey	LHXDLQBQYFFVNW-UHFFFAOYSA-N
Standard InCHI	InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3
SMILES	O=C1C2(C)CCC(C1(C)C)C2

Calculated Properties

Physi-Chem Properties

Molecular Weight:	152.12	Volume:	170.557 ? Van der Waals volume.
Dense:	0.892	LogP:	2.406 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	2.334 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-1.863 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	0.0	Rigid Bonds:	9.0
TPSA:	17.07 ? Topological Polar Surface Area.	H-Bond Acceptor:	1.0
H-Bond Donor:	0.0	Rings:	2.0
Heavy Atoms:	1.0

MedChem Properties

QED Drug-Likeness Score:	0.521	GASA:	0.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	4.468	Fsp³:	0.9
MCE-18:	36.842 ? MCE-18 stands for medicinal chemistry evolution.MCE-18≥45 is considered a suitable value.	Lipinski Rule-of-5:	Rejected
Pfizer Rule:	Rejected	GSK Rule:	Rejected
Golden Triangle Rule:	Accepted	BMS Rule:	0
Chelating Alert:	0	PAINS Alert:	0
Colloidal aggregators:	0.033	Fluc inhibitor:	0.0 ? The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:	0.002 ? The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1	Green fluorescence:	0.014 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.98	Promiscuous compounds:	0.015

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-4.454	MDCK Permeability:	-4.687
Pgp-inhibitor:	0.588	Pgp-substrate:	0.003
PAMPA:	0.31 ? 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):	0.044
20% Bioavailability (F20%):	0.043	30% Bioavailability (F30%):	0.062
50% Bioavailability (F50%):	0.569

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.083	MRP1:	0.956
Plasma Protein Binding (PPB):	79.841%	Volume Distribution (VD):	0.422
Fu:	19.222% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	0.867
OATP1B3 inhibitor:	0.987	BCRP inhibitor:	0.06
BSEP inhibitor:	0.989

ADMET: Metabolism

CYP1A2-inhibitor:	1.0	CYP1A2-substrate:	0.003
CYP2C19-inhibitor:	0.991	CYP2C19-substrate:	0.156
CYP2C9-inhibitor:	0.847	CYP2C9-substrate:	0.0
CYP2D6-inhibitor:	0.0	CYP2D6-substrate:	0.842
CYP3A4-inhibitor:	1.0	CYP3A4-substrate:	0.693
CYP2B6-substrate:	0.996	CYP2C8-inhibitor:	0.973
HLM stability:	0.822 ? 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):

9.933

Half-life (T1/2):

0.693

ADMET: Toxicity

hERG Blockers:	0.095	hERG Blockers (10um):	0.423
Human Hepatotoxicity (H-HT):	0.527	Drug-induced Liver Injury (DILI):	0.315
AMES Toxicity:	0.425	Rat Oral Acute Toxicity:	0.395
Maximum Recommended Daily Dose:	0.491	Skin Sensitization:	0.573
Carcinogencity:	0.579	Eye Corrosion:	0.741
Eye Irritation:	0.96	Respiratory Toxicity:	0.698
Drug-induced Neurotoxicity:	0.603	Ototoxicity:	0.339
Hematotoxicity:	0.422	Drug-induced Nephrotoxicity:	0.296
Genotoxicity:	0.356	RPMI-8226 Immunitoxicity:	0.058
A549 Cytotoxicity:	0.098	Hek293 Cytotoxicity:	0.241
BCF:	0.247 ? 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:	2.337 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	3.582 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	2.879 ? 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
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[ 21030913]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	fruit	n.a.	DOI[10.1007/s00217-007-0799-1]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	leaf	n.a.	DOI[10.1007/s11418-006-0112-9]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	stem	n.a.	DOI[10.1007/s11418-006-0112-9]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	flower	n.a.	DOI[10.1007/s11418-006-0112-9]
NPO17494	Prunella vulgaris	Species	Lamiaceae	Eukaryota	n.a.	stem	n.a.	DOI[10.1016/0031-9422(86)88033-5]
NPO17494	Prunella vulgaris	Species	Lamiaceae	Eukaryota	n.a.	leaf	n.a.	DOI[10.1016/0031-9422(86)88033-5]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	flower	n.a.	DOI[10.1016/j.foodchem.2011.01.077]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.indcrop.2020.112278]
NPO17494	Prunella vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.jarmap.2018.11.004]
NPO17494	Prunella vulgaris	Species	Lamiaceae	Eukaryota	whole plant	n.a.	n.a.	DOI[10.1016/j.tetlet.2016.12.029]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	leaf	n.a.	DOI[10.1016/S0031-9422(00)94055-X]
NPO22741	Curcuma kwangsiensis	Species	Zingiberaceae	Eukaryota	n.a.	rhizome	n.a.	DOI[10.1021/np100392m]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	flower	n.a.	DOI[10.3390/70200245]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[11520216]
NPO28256	Platycladus orientalis	Species	Cupressaceae	Eukaryota	Leaves and branches	Soorkesh Valley, Gollestan, Iran	n.a.	PMID[15104493]
NPO28256	Platycladus orientalis	Species	Cupressaceae	Eukaryota	leaves	Soorkesh Valley, Gollestan, Iran	n.a.	PMID[15104493]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Seeds	n.a.	n.a.	PMID[15620261]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16249088]
NPO28260	Senna alexandrina	Species	Fabaceae	Eukaryota	n.a.	seed	n.a.	PMID[17345316]
NPO18811	Magnolia biondii	Species	Magnoliaceae	Eukaryota	n.a.	flower bud	n.a.	PMID[17628872]
NPO18811	Magnolia biondii	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19370929]
NPO22741	Curcuma kwangsiensis	Species	Zingiberaceae	Eukaryota	Rhizomes	n.a.	n.a.	PMID[20879743]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	aerial part	n.a.	PMID[20973550]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	seed	n.a.	PMID[21049975]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21574561]
NPO22741	Curcuma kwangsiensis	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21807513]
NPO25197	Magnolia sprengeri	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22080044]
NPO6336	Asarum sieboldii	Species	Aristolochiaceae	Eukaryota	roots	n.a.	n.a.	PMID[22381047]
NPO33477	Crithmum maritimum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22472691]
NPO31457	Amomum kravanh	Species	Zingiberaceae	Eukaryota	fruits	n.a.	n.a.	PMID[23394284]
NPO2618	Curcuma wenyujin	Species	Zingiberaceae	Eukaryota	n.a.	root	n.a.	PMID[23738470]
NPO2618	Curcuma wenyujin	Species	Zingiberaceae	Eukaryota	n.a.	rhizome	n.a.	PMID[23738470]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23747095]
NPO18068	Curcuma phaeocaulis	Species	Zingiberaceae	Eukaryota	rhizomes	n.a.	n.a.	PMID[23755850]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24617303]
NPO18343	Lavandula pedunculata	Species	Lamiaceae	Eukaryota	Flowers	Yili, China	n.a.	PMID[24621197]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	aerial part	n.a.	PMID[25154406]
NPO2618	Curcuma wenyujin	Species	Zingiberaceae	Eukaryota	Rhizomes	n.a.	n.a.	PMID[25275213]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25612070]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29192771]
NPO49595	Billburttia capensoides	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29611714]
NPO42388	Billburttia vaginoides	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29611714]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30551419]
NPO54641	Foeniculum vulgare subsp. vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30632261]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30792999]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30792999]
NPO42013	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31368565]
NPO4988	Lavandula stoechas	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31464066]
NPO4988	Lavandula stoechas	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31500359]
NPO19626	Lavandula dentata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31500359]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31994661]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32035880]
NPO11882	Cedrus libani	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32092041]
NPO33477	Crithmum maritimum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32119174]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32674448]
NPO56848	horchata lojana	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[32736051]
NPO63526	Dizygostemon riparius	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32924270]
NPO21807	Lindera umbellata	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32933154]
NPO43854	Ononis alba	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33096945]
NPO54641	Foeniculum vulgare subsp. vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33410338]
NPO42560	Foeniculum vulgare subsp. piperitum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33410338]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34500567]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35264638]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35608311]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35889256]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35999251]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36080366]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36144869]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36235238]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36270431]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36359928]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36432786]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36560643]
NPO4988	Lavandula stoechas	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36577196]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36671383]
NPO48578	Ducrosia flabellifolia	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36676989]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36677644]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36770639]
NPO4988	Lavandula stoechas	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36773055]
NPO63000	Lavandula luisieri	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36773055]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36840093]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36840093]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36840093]
NPO42013	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36840093]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36840093]
NPO18343	Lavandula pedunculata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36984777]
NPO4988	Lavandula stoechas	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36984777]
NPO63036	Abies lasiocarpa var. lasiocarpa	Genus	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36985451]
NPO63446	Picea engelmannii subsp. engelmannii	Genus	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36985451]
NPO4988	Lavandula stoechas	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36987101]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37049808]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37049808]
NPO51049	Piper cordoncillo var. apazoteanum	Genus	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37103127]
NPO1631	Amomum xanthioides	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37152127]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37175125]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37175125]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37402865]
NPO63526	Dizygostemon riparius	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37459186]
NPO42013	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37488427]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37533252]
NPO42013	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37626070]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37653914]
NPO10730	Alpinia calcarata	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37715949]
NPO33477	Crithmum maritimum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37884443]
NPO56217	Eucalyptus brevifolia	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37894690]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37898811]
NPO4988	Lavandula stoechas	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38053906]
NPO31457	Amomum kravanh	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38067483]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38267697]
NPO57119	Eryngium dilatatum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38338307]
NPO33477	Crithmum maritimum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38472808]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38474654]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38474654]
NPO33477	Crithmum maritimum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38498561]
NPO19626	Lavandula dentata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38568360]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38592874]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38617605]
NPO33477	Crithmum maritimum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38681233]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38695450]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38695450]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38719900]
NPO17494	Prunella vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38732062]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38744893]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38790803]
NPO61571	Ocimum basilicum L	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38868453]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38998569]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39063231]
NPO33477	Crithmum maritimum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39065529]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39065713]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39135848]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39138188]
NPO33477	Crithmum maritimum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39455637]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39489989]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39520005]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39527985]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39592251]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39683666]
NPO42013	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39723073]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[6387056]
NPO18811	Magnolia biondii	Species	Magnoliaceae	Eukaryota	n.a.	flower bud	n.a.	PMID[7779269]
NPO33477	Crithmum maritimum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[8254353]
NPO7929	Curcuma zedoaria	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[9868158]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	stem	n.a.	Database[Article]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO42013	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO6336	Asarum sieboldii	Species	Aristolochiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO22741	Curcuma kwangsiensis	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO18068	Curcuma phaeocaulis	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO2618	Curcuma wenyujin	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO18811	Magnolia biondii	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15064	Magnolia denudata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO1918	Magnolia kobus	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15294	Magnolia salicifolia	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO25197	Magnolia sprengeri	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO28260	Senna alexandrina	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO7929	Curcuma zedoaria	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO28256	Platycladus orientalis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO29078	Asiasarum sieboldii	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[COCONUT]
NPO21807	Lindera umbellata	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11882	Cedrus libani	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12468	Asarum heterotropoides	Species	Aristolochiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO4659	Asiasarum heterotropoides	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[COCONUT]
NPO31457	Amomum kravanh	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO1479	Amomum longiligulare	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO1631	Amomum xanthioides	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO18343	Lavandula pedunculata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17494	Prunella vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO33477	Crithmum maritimum	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO4988	Lavandula stoechas	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO10730	Alpinia calcarata	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO19626	Lavandula dentata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO42013	Foeniculum vulgare	Species	Apiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Bark	n.a.	n.a.	Database[FooDB]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	Flower	n.a.	n.a.	Database[FooDB]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Pericarp	n.a.	n.a.	Database[FooDB]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO42013	Foeniculum vulgare	Species	Apiaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	Root	n.a.	n.a.	Database[FooDB]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	Root	n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Root Bark	n.a.	n.a.	Database[FooDB]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO42013	Foeniculum vulgare	Species	Apiaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	Shoot	n.a.	n.a.	Database[FooDB]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	Shoot Essent. Oil	n.a.	n.a.	Database[FooDB]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	Shoot Essent. Oil	n.a.	n.a.	Database[FooDB]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	Sprout Seedling	n.a.	n.a.	Database[FooDB]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	Stem	n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Stem Bark	n.a.	n.a.	Database[FooDB]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	Tissue Culture	n.a.	n.a.	Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Twig	n.a.	n.a.	Database[FooDB]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO42013	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17494	Prunella vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15064	Magnolia denudata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO6336	Asarum sieboldii	Species	Aristolochiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15294	Magnolia salicifolia	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11820	Amomum villosum	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO31457	Amomum kravanh	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO1631	Amomum xanthioides	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO18811	Magnolia biondii	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7929	Curcuma zedoaria	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21807	Lindera umbellata	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25197	Magnolia sprengeri	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO1479	Amomum longiligulare	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22741	Curcuma kwangsiensis	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO1918	Magnolia kobus	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	Fruits	n.a.		Database[Phenol-Explorer]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO42013	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO17494	Prunella vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28260	Senna alexandrina	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11820	Amomum villosum	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28256	Platycladus orientalis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15294	Magnolia salicifolia	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7929	Curcuma zedoaria	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6336	Asarum sieboldii	Species	Aristolochiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO18811	Magnolia biondii	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12322	Amomum krervanh	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1479	Amomum longiligulare	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15064	Magnolia denudata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21807	Lindera umbellata	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1631	Amomum xanthioides	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22741	Curcuma kwangsiensis	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25197	Magnolia sprengeri	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1918	Magnolia kobus	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO18811	Magnolia biondii	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO28256	Platycladus orientalis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7929	Curcuma zedoaria	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO2618	Curcuma wenyujin	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17494	Prunella vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO6336	Asarum sieboldii	Species	Aristolochiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO22741	Curcuma kwangsiensis	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO15064	Magnolia denudata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO12468	Asarum heterotropoides	Species	Aristolochiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO30296	Ables balsamea	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO31457	Amomum kravanh	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21807	Lindera umbellata	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO15294	Magnolia salicifolia	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO1631	Amomum xanthioides	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO2618	Curcuma wenyujin	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO7929	Curcuma zedoaria	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO22741	Curcuma kwangsiensis	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO28260	Senna alexandrina	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29078	Asiasarum sieboldii	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TM-MC]
NPO1631	Amomum xanthioides	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO18068	Curcuma phaeocaulis	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO11820	Amomum villosum	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4659	Asiasarum heterotropoides	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TM-MC]
NPO12468	Asarum heterotropoides	Species	Aristolochiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO18811	Magnolia biondii	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO15064	Magnolia denudata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO1479	Amomum longiligulare	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO15294	Magnolia salicifolia	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO28256	Platycladus orientalis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO12322	Amomum krervanh	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29010	Amomum compactum	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO25197	Magnolia sprengeri	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO6336	Asarum sieboldii	Species	Aristolochiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO1918	Magnolia kobus	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO17494	Prunella vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21460	Anethum graveolens	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21807	Lindera umbellata	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25197	Magnolia sprengeri	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12322	Amomum krervanh	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18343	Lavandula pedunculata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21349	Punica granatum	Species	Lythraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15294	Magnolia salicifolia	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11882	Cedrus libani	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4988	Lavandula stoechas	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28295	Foeniculum vulgare	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7929	Curcuma zedoaria	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2618	Curcuma wenyujin	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28260	Senna alexandrina	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12468	Asarum heterotropoides	Species	Aristolochiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19626	Lavandula dentata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20414	Ocimum basilicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4659	Asiasarum heterotropoides	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO11820	Amomum villosum	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10730	Alpinia calcarata	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22741	Curcuma kwangsiensis	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18068	Curcuma phaeocaulis	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6336	Asarum sieboldii	Species	Aristolochiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26589	Artemisia annua L.	Strain	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1918	Magnolia kobus	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28256	Platycladus orientalis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29078	Asiasarum sieboldii	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO17494	Prunella vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15064	Magnolia denudata	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1631	Amomum xanthioides	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18811	Magnolia biondii	Species	Magnoliaceae	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
NPO10730	Alpinia calcarata	n.a.	Rhizomes	0.74	n.a.	n.a.	%	PMID[37715949]
NPO11882	Cedrus libani	Oil	n.a.	0.1Â±0.0	n.a.	n.a.	%	PMID[32092041]
NPO13274	Illicium verum	Other	Fruit	0.1	0.1	0.1	mg/100g	Database [DUKE]
NPO14798	Origanum majorana	Oil	n.a.	1.04 Â± 0.02	n.a.	n.a.	%	PMID[37175125]
NPO14798	Origanum majorana	Oil	n.a.	3.71 Â± 0.01	n.a.	n.a.	%	PMID[37175125]
NPO14798	Origanum majorana	Oil	n.a.	3.10 Â± 0.01	n.a.	n.a.	%	PMID[37175125]
NPO14798	Origanum majorana	Oil	n.a.	4.40 Â± 0.03	n.a.	n.a.	%	PMID[37175125]
NPO14798	Origanum majorana	Oil	n.a.	2.00 Â± 0.01	n.a.	n.a.	%	PMID[37175125]
NPO18343	Lavandula pedunculata	Oil	n.a.	0.6â€“48.7	n.a.	n.a.	%	PMID[36984777]
NPO19626	Lavandula dentata	Oil	n.a.	40.38	n.a.	n.a.	mg/g	PMID[38568360]
NPO20414	Ocimum basilicum	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[36080366]
NPO20414	Ocimum basilicum	Oil	n.a.	0.18	n.a.	n.a.	%	PMID[36840093]
NPO20414	Ocimum basilicum	Raw	Plant	3	3	3	mg/100g	Database [DUKE]
NPO21460	Anethum graveolens	Oil	n.a.	0.09	n.a.	n.a.	%	PMID[36840093]
NPO21807	Lindera umbellata	n.a.	n.a.	2.36	n.a.	n.a.	%	PMID[32933154]
NPO29169	Origanum vulgare	Oil	n.a.	0.67	n.a.	n.a.	%	PMID[36840093]
NPO29169	Origanum vulgare	Oil	n.a.	1.86 Â± 0.01	n.a.	n.a.	%	PMID[37175125]
NPO29169	Origanum vulgare	Oil	n.a.	1.09 Â± 0.03	n.a.	n.a.	%	PMID[37175125]
NPO29169	Origanum vulgare	Oil	n.a.	2.93 Â± 0.03	n.a.	n.a.	%	PMID[37175125]
NPO29169	Origanum vulgare	Oil	n.a.	2.52 Â± 0.01	n.a.	n.a.	%	PMID[37175125]
NPO29169	Origanum vulgare	Oil	n.a.	1.35 Â± 0.01	n.a.	n.a.	%	PMID[37175125]
NPO31457	Amomum kravanh	Oil	n.a.	0.18	n.a.	n.a.	%	PMID[38067483]
NPO33477	Crithmum maritimum	Oil	n.a.	0.5	n.a.	n.a.	%	PMID[39065529]
NPO42012	Rosmarinus officinalis	Other	Plant	25	25	25	mg/100g	Database [DUKE]
NPO42013	Foeniculum vulgare	Hydro distillation	Seeds	8.40Â±0.03	n.a.	n.a.	%	PMID[39723073]
NPO42013	Foeniculum vulgare	Steam distillation	Seeds	9.20Â±0.02	n.a.	n.a.	%	PMID[39723073]
NPO42013	Foeniculum vulgare	Superheated steam extraction	Seeds	9.80Â±0.04	n.a.	n.a.	%	PMID[39723073]
NPO42013	Foeniculum vulgare	Oil	n.a.	15.48	n.a.	n.a.	%	PMID[36840093]
NPO42013	Foeniculum vulgare	Oil	n.a.	9.53	n.a.	n.a.	%	PMID[37626070]
NPO42013	Foeniculum vulgare	Oil	n.a.	5.94Â±1.11	n.a.	n.a.	%	PMID[37488427]
NPO42388	Billburttia vaginoides	Oil	n.a.	7.4	n.a.	n.a.	%	PMID[29611714]
NPO42560	Foeniculum vulgare subsp. piperitum	Oil	n.a.	8.83	n.a.	n.a.	%	PMID[33410338]
NPO42560	Foeniculum vulgare subsp. piperitum	Oil	n.a.	3.36	n.a.	n.a.	%	PMID[33410338]
NPO43854	Ononis alba	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[33096945]
NPO48578	Ducrosia flabellifolia	Oil	n.a.	1.81	n.a.	n.a.	%	PMID[36676989]
NPO49595	Billburttia capensoides	Oil	n.a.	2.2	n.a.	n.a.	%	PMID[29611714]
NPO49595	Billburttia capensoides	Oil	n.a.	3.4	n.a.	n.a.	%	PMID[29611714]
NPO4988	Lavandula stoechas	Oil	n.a.	31.81	n.a.	n.a.	%	PMID[38053906]
NPO4988	Lavandula stoechas	Oil	n.a.	35.42Â±0.32	n.a.	n.a.	%	PMID[31464066]
NPO4988	Lavandula stoechas	Oil	n.a.	2.9â€“68.2	n.a.	n.a.	%	PMID[36773055]
NPO4988	Lavandula stoechas	Oil	n.a.	0.03â€“68	n.a.	n.a.	%	PMID[36984777]
NPO4988	Lavandula stoechas	Oil	n.a.	0.1â€“22	n.a.	n.a.	%	PMID[36984777]
NPO4988	Lavandula stoechas	Oil	n.a.	21â€“71	n.a.	n.a.	%	PMID[36984777]
NPO4988	Lavandula stoechas	Oil	n.a.	37.18Â±0.57	n.a.	n.a.	%	PMID[31464066]
NPO4988	Lavandula stoechas	Oil	n.a.	23.73Â±0.25	n.a.	n.a.	%	PMID[31464066]
NPO4988	Lavandula stoechas	Oil	n.a.	23.24Â±0.25	n.a.	n.a.	%	PMID[31464066]
NPO51049	Piper cordoncillo var. apazoteanum	Oil	n.a.	1.25	n.a.	n.a.	%	PMID[37103127]
NPO54641	Foeniculum vulgare subsp. vulgare	Oil	n.a.	1.85	n.a.	n.a.	%	PMID[33410338]
NPO54641	Foeniculum vulgare subsp. vulgare	Oil	n.a.	5.91	n.a.	n.a.	%	PMID[33410338]
NPO54641	Foeniculum vulgare subsp. vulgare	Oil	n.a.	6.78	n.a.	n.a.	%	PMID[33410338]
NPO54641	Foeniculum vulgare subsp. vulgare	Oil	n.a.	0.3	n.a.	n.a.	%	PMID[30632261]
NPO54641	Foeniculum vulgare subsp. vulgare	Oil	n.a.	0.7	n.a.	n.a.	%	PMID[30632261]
NPO54641	Foeniculum vulgare subsp. vulgare	Oil	n.a.	18.41	n.a.	n.a.	%	PMID[33410338]
NPO56217	Eucalyptus brevifolia	Oil	n.a.	0.2	n.a.	n.a.	%	PMID[37894690]
NPO56848	horchata lojana	Oil	n.a.	0.2 Â± 0.00	n.a.	n.a.	%	PMID[32736051]
NPO56848	horchata lojana	Oil	n.a.	0.1 Â± 0.00	n.a.	n.a.	%	PMID[32736051]
NPO56848	horchata lojana	Oil	n.a.	0.7 Â± 0.00	n.a.	n.a.	%	PMID[32736051]
NPO56848	horchata lojana	Oil	n.a.	0.5 Â± 0.00	n.a.	n.a.	%	PMID[32736051]
NPO57119	Eryngium dilatatum	Oil	Stems/Leaves	0.7	n.a.	n.a.	%	PMID[38338307]
NPO57119	Eryngium dilatatum	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[38338307]
NPO57119	Eryngium dilatatum	Oil	Roots	0.2	n.a.	n.a.	%	PMID[38338307]
NPO61571	Ocimum basilicum L	Oil	n.a.	0.8	n.a.	n.a.	%	PMID[38868453]
NPO63000	Lavandula luisieri	Oil	n.a.	2.9â€“6.6	n.a.	n.a.	%	PMID[36773055]
NPO63036	Abies lasiocarpa var. lasiocarpa	Oil	Leaves	0.1	n.a.	n.a.	%	PMID[36985451]
NPO63446	Picea engelmannii subsp. engelmannii	Oil	Leaves	0.2	n.a.	n.a.	%	PMID[36985451]
NPO63526	Dizygostemon riparius	Oil	n.a.	0.6	n.a.	n.a.	%	PMID[32924270]
NPO63526	Dizygostemon riparius	Oil	n.a.	0.8	n.a.	n.a.	%	PMID[32924270]
NPO63526	Dizygostemon riparius	Oil	n.a.	0.5	n.a.	n.a.	%	PMID[32924270]
NPO6701	Cinnamomum camphora	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[34500567]

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
Inhibition	4
Ki	1
Potency	1
EC50	2
Activity	3
mortality	32

Activity Type	# Activity
Individual protein	5
Organism	37
Others	1

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT66	Individual protein	Acetylcholinesterase	Electrophorus electricus	Inhibition	=	90.67	%	DOI[10.1016/j.indcrop.2009.11.005]
NPT66	Individual protein	Acetylcholinesterase	Electrophorus electricus	Inhibition	=	84.14	%	DOI[10.1016/j.indcrop.2009.11.005]
NPT66	Individual protein	Acetylcholinesterase	Electrophorus electricus	Inhibition	=	79.83	%	DOI[10.1016/j.indcrop.2009.11.005]
NPT66	Individual protein	Acetylcholinesterase	Electrophorus electricus	Inhibition	=	53.79	%	DOI[10.1016/j.indcrop.2009.11.005]
NPT66	Individual protein	Acetylcholinesterase	Electrophorus electricus	Ki	=	400000.0	nM	DOI[10.1016/j.indcrop.2009.11.005]

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT776	Organism	Spodoptera littoralis	Spodoptera littoralis	EC50	>	50.0	microg/cm2	DOI[10.1016/j.bse.2006.02.006]
NPT776	Organism	Spodoptera littoralis	Spodoptera littoralis	Activity	=	91.0	%	DOI[10.1016/j.bse.2006.02.006]
NPT776	Organism	Spodoptera littoralis	Spodoptera littoralis	Activity	=	100.0	%	DOI[10.1016/j.bse.2006.02.006]
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	EC50	>	50.0	microg/cm2	DOI[10.1016/j.bse.2006.02.006]
NPT2	Others	Unspecified	n.a.	Potency	n.a.	3	nM	PubChem BioAssay data set
NPT348	Organism	Myzus persicae	Myzus persicae	Activity	=	30.0	%	DOI[10.1016/j.bse.2006.02.006]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	mortality	=	100.0	%	DOI[10.1016/j.indcrop.2007.03.009]
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	mortality	=	46.7	%	DOI[10.1016/j.indcrop.2007.03.009]
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	mortality	=	50.0	%	DOI[10.1016/j.indcrop.2007.03.009]
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	mortality	=	83.3	%	DOI[10.1016/j.indcrop.2007.03.009]
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	mortality	=	66.7	%	DOI[10.1016/j.indcrop.2007.03.009]
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	mortality	=	53.3	%	DOI[10.1016/j.indcrop.2007.03.009]
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	mortality	=	93.3	%	DOI[10.1016/j.indcrop.2007.03.009]
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	mortality	=	23.3	%	DOI[10.1016/j.indcrop.2007.03.009]
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	mortality	=	90.0	%	DOI[10.1016/j.indcrop.2007.03.009]
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	mortality	=	73.3	%	DOI[10.1016/j.indcrop.2007.03.009]
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	mortality	=	63.3	%	DOI[10.1016/j.indcrop.2007.03.009]
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	mortality	=	56.7	%	DOI[10.1016/j.indcrop.2007.03.009]
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	mortality	=	36.7	%	DOI[10.1016/j.indcrop.2007.03.009]
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	mortality	=	33.3	%	DOI[10.1016/j.indcrop.2007.03.009]
NPT1275	Organism	Leptinotarsa decemlineata	Leptinotarsa decemlineata	mortality	=	13.3	%	DOI[10.1016/j.indcrop.2007.03.009]

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
-	Rattus norvegicus	NOAEL	=	800.0	mg/kg-day	ToxVal
-	Rattus norvegicus	NOAEL	=	6000.0	mg/kg-day	ToxVal
-	Rattus norvegicus	LD50	=	2480.0	mg/kg	ToxVal
-	Rattus norvegicus	LD50	=	4400.0	mg/kg	ToxVal
-	Rattus norvegicus	LD50	=	6160.0	mg/kg	ToxVal
-	Rattus norvegicus	LD50	=	6.16	g/Kg	PMID[15137830]
-	Mus musculus	LD50	=	12750.0	mg/kg	ToxVal
-	Oryctolagus cuniculus	LD50	>	5000.0	mg/kg	ToxVal

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 NPC258672 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	25976
0.1-0.2	22429
0.2-0.3	1407
0.3-0.4	41
0.4-0.5	0
0.5-0.6	3
0.6-0.7	0
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC293343
1.0	High Similarity	NPC247786
0.5217	Remote Similarity	NPC131981
0.5217	Remote Similarity	NPC173996
0.5217	Remote Similarity	NPC40249

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC258672 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	6379
0.1-0.2	2629
0.2-0.3	139
0.3-0.4	0
0.4-0.5	0
0.5-0.6	3
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
0.5217	Remote Similarity	NPD343	Approved
0.5217	Remote Similarity	NPD344	Approved
0.5217	Remote Similarity	NPD345	Phase 4

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