NPASS Compound

Natural Product: NPC60427

Natural Product ID	NPC60427
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	KWFJIXPIFLVMPM-UHFFFAOYSA-N
IUPAC Name	n.a.
Synonyms
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	n.a.
PubChem CID	94164
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000012] Lipids and lipid-like molecules [CHEMONTID:0000259] Prenol lipids [CHEMONTID:0001550] 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 39 41 0 0 0 0 0 0 0 0999 V2000 4.5256 0.8652 1.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 0.3169 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 0.0439 1.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2293 -0.5077 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0276 0.4432 0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9929 -0.1884 -0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -0.3952 -1.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5926 -1.4521 0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -0.9123 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2192 0.1610 0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -0.3452 -0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6729 -1.7296 -0.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2648 0.6420 -0.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2345 2.0072 -1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.0843 -0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0517 0.0169 2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3146 1.4097 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0947 1.5736 2.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0576 0.2248 2.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -1.4629 0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6655 -0.6196 -0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3741 1.3712 -0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3168 0.7113 1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1786 -1.4739 -1.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2006 -0.1435 -2.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 0.2621 -2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9463 -2.2550 0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8752 -0.4585 1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1597 -1.7038 1.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 0.7680 0.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1251 -0.1195 -1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2633 -1.9846 -1.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3561 -2.4976 -0.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 2.3277 -1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6555 2.7814 -0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8551 2.0225 -2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6574 -0.9500 -0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3464 0.8382 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.3283 -0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 2 15 1 0 13 6 1 0 12 8 1 0 13 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 7 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 M END

Standard InCHIKey	KWFJIXPIFLVMPM-UHFFFAOYSA-N
Standard InCHI	InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3
SMILES	CC(=CCCC1(C)C2CC3C(C2)C13C)C

Calculated Properties

Physi-Chem Properties

Molecular Weight:	204.19	Volume:	239.69 ? Van der Waals volume.
Dense:	0.852	LogP:	5.19 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	3.853 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-5.715 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	3.0	Rigid Bonds:	10.0
TPSA:	0.0 ? Topological Polar Surface Area.	H-Bond Acceptor:	0.0
H-Bond Donor:	0.0	Rings:	4.0
Heavy Atoms:	0.0

MedChem Properties

QED Drug-Likeness Score:	0.597	GASA:	1.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	5.212	Fsp³:	0.867
MCE-18:	47.5 ? 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:	Accepted
Golden Triangle Rule:	Rejected	BMS Rule:	0
Chelating Alert:	0	PAINS Alert:	0
Colloidal aggregators:	0.187	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:	0.003 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.722	Promiscuous compounds:	0.203

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-4.402	MDCK Permeability:	-4.829
Pgp-inhibitor:	0.925	Pgp-substrate:	0.008
PAMPA:	0.006 ? 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):	0.004
20% Bioavailability (F20%):	0.014	30% Bioavailability (F30%):	0.04
50% Bioavailability (F50%):	0.528

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.95	MRP1:	0.956
Plasma Protein Binding (PPB):	88.812%	Volume Distribution (VD):	0.622
Fu:	11.783% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	0.691
OATP1B3 inhibitor:	0.845	BCRP inhibitor:	0.111
BSEP inhibitor:	0.982

ADMET: Metabolism

CYP1A2-inhibitor:	0.015	CYP1A2-substrate:	0.251
CYP2C19-inhibitor:	0.917	CYP2C19-substrate:	0.752
CYP2C9-inhibitor:	0.795	CYP2C9-substrate:	0.14
CYP2D6-inhibitor:	0.996	CYP2D6-substrate:	0.015
CYP3A4-inhibitor:	0.137	CYP3A4-substrate:	0.144
CYP2B6-substrate:	0.978	CYP2C8-inhibitor:	0.811
HLM stability:	0.958 ? 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):

18.927

Half-life (T1/2):

1.589

ADMET: Toxicity

hERG Blockers:	0.23	hERG Blockers (10um):	0.645
Human Hepatotoxicity (H-HT):	0.501	Drug-induced Liver Injury (DILI):	0.055
AMES Toxicity:	0.284	Rat Oral Acute Toxicity:	0.365
Maximum Recommended Daily Dose:	0.484	Skin Sensitization:	0.329
Carcinogencity:	0.486	Eye Corrosion:	0.188
Eye Irritation:	0.813	Respiratory Toxicity:	0.766
Drug-induced Neurotoxicity:	0.53	Ototoxicity:	0.614
Hematotoxicity:	0.155	Drug-induced Nephrotoxicity:	0.111
Genotoxicity:	0.021	RPMI-8226 Immunitoxicity:	0.038
A549 Cytotoxicity:	0.085	Hek293 Cytotoxicity:	0.164
BCF:	2.323 ? 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:	5.026 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	6.062 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	6.475 ? 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
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1002/hlca.19270100148]
NPO21072	Rhododendron dauricum	Species	Ericaceae	Eukaryota	n.a.	whole plant	n.a.	DOI[10.1007/BF02329610]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota		n.a.	n.a.	DOI[10.1016/0045-6535(91)90110-Y]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.abb.2017.09.009]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.1016/j.foodcont.2014.02.001]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.jarmap.2018.11.004]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.jfca.2004.07.004]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.jfca.2005.08.001]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	retail stores, supermarkets and market stalls in Forssa and in the Helsinki area	2003Ã¢â‚¬â€œ2005	DOI[10.1016/j.jfca.2006.05.007]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/S0885-5765(05)80069-4]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1021/np50031a011]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	1996-Sep	PMID[10352947]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12350137]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	rhizome	n.a.	n.a.	PMID[12617587]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	Petals	n.a.	n.a.	PMID[15043425]
NPO21072	Rhododendron dauricum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15270561]
NPO10021	Nerium oleander	Species	Apocynaceae	Eukaryota	leaves	Niigata City, Niigata Province, Japan	2000-Nov	PMID[15730243]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15877880]
NPO17691	Santalum album	Species	Santalaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15974602]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16562834]
NPO10021	Nerium oleander	Species	Apocynaceae	Eukaryota	leaves	n.a.	n.a.	PMID[16933868]
NPO10021	Nerium oleander	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[17253842]
NPO10021	Nerium oleander	Species	Apocynaceae	Eukaryota	stems and twigs	Niigata City, Niigata Province, Japan	2001-NOV	PMID[17595134]
NPO10021	Nerium oleander	Species	Apocynaceae	Eukaryota	stems and twigs	n.a.	n.a.	PMID[17595134]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18303850]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	n.a.	leaf	n.a.	PMID[18409045]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18460139]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	Northeastern Regional Plant Introduction Station at Geneva	1966, 1967, and 1968 crop seasons	PMID[18460139]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18681481]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19344127]
NPO7247	Cymbopogon citratus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19924037]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	flower buds	n.a.	n.a.	PMID[19926279]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	Flowers	n.a.	n.a.	PMID[20467822]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20476749]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	n.a.	root	n.a.	PMID[2092947]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	berry	n.a.	n.a.	PMID[21216145]
NPO9370	Piper gaudichaudianum	Species	Piperaceae	Eukaryota	n.a.	root	n.a.	PMID[21506530]
NPO9370	Piper gaudichaudianum	Species	Piperaceae	Eukaryota	n.a.	leaf	n.a.	PMID[21506530]
NPO9370	Piper gaudichaudianum	Species	Piperaceae	Eukaryota	n.a.	stem	n.a.	PMID[21506530]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21800857]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	root	n.a.	PMID[21800857]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	exocarp	n.a.	PMID[21800857]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	aerial part	n.a.	PMID[21902175]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	Rhizomes	n.a.	n.a.	PMID[23153397]
NPO7385	Schisandra sphenanthera	Species	Schisandraceae	Eukaryota	fruits	n.a.	n.a.	PMID[23265871]
NPO31457	Amomum kravanh	Species	Zingiberaceae	Eukaryota	fruits	n.a.	n.a.	PMID[23394284]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	rhizome	n.a.	PMID[23713285]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	n.a.	leaf	n.a.	PMID[23901173]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	flower buds	n.a.	n.a.	PMID[24063567]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	fruit	n.a.	PMID[24155209]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	leaves	n.a.	n.a.	PMID[24290061]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24338885]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	Roots	n.a.	n.a.	PMID[24461297]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24959987]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24968750]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25152999]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25302569]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25612070]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26000707]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	rhizomes	n.a.	n.a.	PMID[26296476]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26305406]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	stems-leaves	n.a.	n.a.	PMID[26420067]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	n.a.	stem	n.a.	PMID[27914541]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28068085]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[2831703]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	Flower Buds	n.a.	n.a.	PMID[28345906]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[28684180]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	Rhizomes	n.a.	n.a.	PMID[29116780]
NPO10021	Nerium oleander	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29693393]
NPO15110	Petasites albus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30600899]
NPO11695	Petasites hybridus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30600899]
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31500359]
NPO58055	Lavandula abrialis	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31500359]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[31624503]
NPO9396	Carpesium divaricatum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31816933]
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]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32129622]
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32664436]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32674448]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32807141]
NPO44036	Michelia x alba	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32836380]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[32840573]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32880179]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[32923433]
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33255893]
NPO46333	Isolona dewevrei	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33260296]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[33605546]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[33938153]
NPO54179	Magnolia sumatrana var. glauca	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34328033]
NPO7247	Cymbopogon citratus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34332066]
NPO53536	Salvia japonica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34332066]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34332066]
NPO7247	Cymbopogon citratus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34453396]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34500567]
NPO7247	Cymbopogon citratus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34946632]
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35408552]
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35630691]
NPO16857	Hypericum laricifolium	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36365414]
NPO56501	Lavandula Angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36432879]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36770639]
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36773055]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[36867718]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37111302]
NPO9370	Piper gaudichaudianum	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37396469]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37446590]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37447270]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37533252]
NPO7247	Cymbopogon citratus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37939623]
NPO31457	Amomum kravanh	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38067483]
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38337867]
NPO57598	Lavandula intermedia	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38370080]
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38675563]
NPO42417	Achillea vermicularis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38783072]
NPO64307	Achillea tenuifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38783072]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38790803]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38821245]
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38843799]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38927152]
NPO7247	Cymbopogon citratus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38931371]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38998569]
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39059304]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39064881]
NPO9370	Piper gaudichaudianum	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39088897]
NPO56519	Goniothalamus yunnanensis	Genus	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39102300]
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39129131]
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39251682]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39489989]
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39683763]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[6821187]
NPO10021	Nerium oleander	Species	Apocynaceae	Eukaryota	Leaves; Stems	n.a.	n.a.	PMID[9214727]
NPO9396	Carpesium divaricatum	Species	Asteraceae	Eukaryota	n.a.	aerial part	n.a.	PMID[9392887]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[9584408]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	stem	n.a.	Database[Article]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[Article]
NPO7247	Cymbopogon citratus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO16857	Hypericum laricifolium	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO10980	Petasites japonicus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17691	Santalum album	Species	Santalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO21072	Rhododendron dauricum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9370	Piper gaudichaudianum	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO10021	Nerium oleander	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11695	Petasites hybridus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO7385	Schisandra sphenanthera	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO31457	Amomum kravanh	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11329	Echinops grijsii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9396	Carpesium divaricatum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15110	Petasites albus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	Essential Oil	n.a.	n.a.	Database[FooDB]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO7247	Cymbopogon citratus	Species	Poaceae	Eukaryota	Leaf Wax	n.a.	n.a.	Database[FooDB]
NPO7247	Cymbopogon citratus	Species	Poaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO10980	Petasites japonicus	Species	Asteraceae	Eukaryota	Pt	n.a.	n.a.	Database[FooDB]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	Rhizome	n.a.	n.a.	Database[FooDB]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	Rhizome Essent. Oil	n.a.	n.a.	Database[FooDB]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	Root	n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Root	n.a.	n.a.	Database[FooDB]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Shoot	n.a.	n.a.	Database[FooDB]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	Silk Stigma Style	n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Tissue Culture	n.a.	n.a.	Database[FooDB]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO7247	Cymbopogon citratus	Species	Poaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO10980	Petasites japonicus	Species	Asteraceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	Roots	n.a.		Database[FooDB]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO7247	Cymbopogon citratus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO21072	Rhododendron dauricum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11329	Echinops grijsii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17691	Santalum album	Species	Santalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO10980	Petasites japonicus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO31457	Amomum kravanh	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7385	Schisandra sphenanthera	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO10021	Nerium oleander	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1002/anie.201706342]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1002/bit.25914]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1002/bit.26941]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1002/bit.27254]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1002/bit.27344]
NPO65083	A new engineered strain of Pichia pastoris	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1002/bit.27575]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1002/bit.28008]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1007/s00253-014-6092-x]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1007/s00253-019-09627-z]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1007/s00253-019-09735-w]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1007/s00253-021-11545-y]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1007/s00253-022-11898-y]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1007/s10295-020-02259-7]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1007/s10529-006-9142-3]
NPO65083	A new engineered strain of Pichia pastoris	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1007/s10529-023-03357-z]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1007/s12257-017-0290-1]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1007/s12257-018-0497-9]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.bej.2018.05.023]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.bej.2021.108178]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.biortech.2019.122600]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.biortech.2020.124362]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.biortech.2022.128178]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.biortech.2022.128320]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.ces.2018.10.052]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.ces.2020.115529]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.enzmictec.2019.109392]
NPO65083	A new engineered strain of Pichia pastoris	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.enzmictec.2020.109557]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.jbiosc.2014.10.021]
NPO65083	A new engineered strain of Pichia pastoris	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.jbiotec.2014.05.018]
NPO65083	A new engineered strain of Pichia pastoris	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.jbiotec.2016.11.031]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.jbiotec.2018.07.001]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.jbiotec.2018.11.009]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.mec.2019.e00121]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.mec.2022.e00197]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.micres.2020.126669]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.procbio.2008.04.027]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.synbio.2017.10.002]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.synbio.2021.06.003]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.synbio.2022.03.001]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.ymben.2013.12.004]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.ymben.2015.03.011]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.ymben.2016.07.001]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.ymben.2016.10.021]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.ymben.2017.04.004]
NPO65083	A new engineered strain of Pichia pastoris	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.ymben.2017.12.009]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.ymben.2018.04.002]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.ymben.2019.05.002]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.ymben.2019.10.002]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.ymben.2019.12.002]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.ymben.2021.03.010]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.ymben.2021.08.003]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1016/j.ymben.2022.06.001]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acs.jafc.0c04276]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acs.jafc.0c06504]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acs.jafc.0c07886]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acs.jafc.1c05486]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acs.jafc.2c00754]
NPO65083	A new engineered strain of Pichia pastoris	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acs.jafc.2c02353]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acs.jafc.8b05014]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acsomega.0c04590]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acssynbio.1c00480]
NPO65083	A new engineered strain of Pichia pastoris	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acssynbio.2c00026]
NPO65083	A new engineered strain of Pichia pastoris	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acssynbio.2c00047]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acssynbio.2c00298]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acssynbio.7b00128]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acssynbio.7b00385]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acssynbio.8b00198]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1021/acssynbio.9b00479]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1038/s41467-019-08781-2]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1038/s41467-020-14918-5]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1038/s41929-022-00820-4]
NPO65083	A new engineered strain of Pichia pastoris	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1038/s44160-022-00205-2]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1039/D0GC03180A]
NPO65083	A new engineered strain of Pichia pastoris	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1039/D1GC00260K]
NPO65083	A new engineered strain of Pichia pastoris	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1080/09168451.2019.1693250]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1093/synbio/ysaa012]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1128/AEM]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1128/AEM.01971-10]
NPO65083	A new engineered strain of Pichia pastoris	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1186/1475-2859-12-77]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1186/s12934-018-0984-x]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1186/s12934-019-1127-8]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1186/s12934-019-1136-7]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1186/s12934-020-01300-9]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1186/s12934-020-01309-0]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1186/s13068-016-0593-z]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1186/s13068-020-01773-1]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1186/s13765-021-00595-5]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.1371/journal.pbio.3000347]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.3389/fbioe.2019.00279]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.3389/fmicb.2021.699235]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.3389/fmicb.2022.902848]
NPO65078	A new engineered strain of Escherichia coli	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.3390/biom12070997]
NPO65083	A new engineered strain of Pichia pastoris	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.3390/jof8080767]
NPO65069	A new engineered strain of Yarrowia lipolytica	Species	n.a.	n.a.	n.a.	n.a.	n.a.	DOI[https://doi.org/10.3390/microorganisms7100472]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[MetaboLights]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO7247	Cymbopogon citratus	Species	Poaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7385	Schisandra sphenanthera	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11329	Echinops grijsii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10021	Nerium oleander	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10980	Petasites japonicus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21072	Rhododendron dauricum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17691	Santalum album	Species	Santalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16857	Hypericum laricifolium	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO7247	Cymbopogon citratus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17691	Santalum album	Species	Santalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO21072	Rhododendron dauricum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO11329	Echinops grijsii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO10980	Petasites japonicus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO7385	Schisandra sphenanthera	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO31457	Amomum kravanh	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO21072	Rhododendron dauricum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO8187	Schisandra chinensis	Species	Schisandraceae	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]
NPO7385	Schisandra sphenanthera	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO17691	Santalum album	Species	Santalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO11329	Echinops grijsii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO10980	Petasites japonicus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16857	Hypericum laricifolium	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6701	Cinnamomum camphora	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13274	Illicium verum	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10021	Nerium oleander	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11329	Echinops grijsii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7385	Schisandra sphenanthera	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11695	Petasites hybridus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9370	Piper gaudichaudianum	Species	Piperaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21072	Rhododendron dauricum	Species	Ericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9396	Carpesium divaricatum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24124	Curcuma longa	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7247	Cymbopogon citratus	Species	Poaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17691	Santalum album	Species	Santalaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3527	Lavandula angustifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO163	Daucus carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9445	Crocus sativus	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15110	Petasites albus	Species	Asteraceae	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
NPO11695	Petasites hybridus	Oil	n.a.	0.08	n.a.	n.a.	%	PMID[30600899]
NPO11695	Petasites hybridus	Oil	n.a.	0.5	n.a.	n.a.	%	PMID[30600899]
NPO13274	Illicium verum	Other	Fruit	0.1	0.1	0.1	mg/100g	Database [DUKE]
NPO15110	Petasites albus	Oil	n.a.	0.33	n.a.	n.a.	%	PMID[30600899]
NPO15110	Petasites albus	Oil	n.a.	0.25	n.a.	n.a.	%	PMID[30600899]
NPO1524	Rosa rugosa	Oil	n.a.	0.14	n.a.	n.a.	%	PMID[34332066]
NPO16857	Hypericum laricifolium	Oil	n.a.	0.09	n.a.	n.a.	%	PMID[36365414]
NPO31457	Amomum kravanh	CO2 extract	n.a.	0.08	n.a.	n.a.	%	PMID[38067483]
NPO3527	Lavandula angustifolia	Oil	n.a.	0.05	n.a.	n.a.	%	PMID[31500359]
NPO3527	Lavandula angustifolia	Oil	n.a.	952.72Â±4.39	n.a.	n.a.	mg/kg	PMID[39059304]
NPO3527	Lavandula angustifolia	Oil	n.a.	2797.54Â±6.18	n.a.	n.a.	mg/kg	PMID[39059304]
NPO3527	Lavandula angustifolia	Oil	n.a.	2760Â±5.6	n.a.	n.a.	mg/kg	PMID[39059304]
NPO3527	Lavandula angustifolia	Oil	n.a.	0.28	n.a.	n.a.	%	PMID[35408552]
NPO3527	Lavandula angustifolia	Oil	n.a.	0.11	n.a.	n.a.	%	PMID[35408552]
NPO3527	Lavandula angustifolia	Oil	n.a.	0.36	n.a.	n.a.	%	PMID[35408552]
NPO3527	Lavandula angustifolia	Oil	n.a.	0.08	n.a.	n.a.	%	PMID[35408552]
NPO3527	Lavandula angustifolia	Oil	n.a.	0.60	n.a.	n.a.	%	PMID[35408552]
NPO3527	Lavandula angustifolia	Oil	n.a.	0.30	n.a.	n.a.	%	PMID[35408552]
NPO3527	Lavandula angustifolia	Oil	n.a.	0.13	n.a.	n.a.	%	PMID[35408552]
NPO3527	Lavandula angustifolia	Oil	n.a.	0.83	n.a.	n.a.	%	PMID[32664436]
NPO42417	Achillea vermicularis	Oil	n.a.	0.61	n.a.	n.a.	%	PMID[38783072]
NPO42417	Achillea vermicularis	Oil	n.a.	0.43	n.a.	n.a.	%	PMID[38783072]
NPO42417	Achillea vermicularis	Oil	n.a.	2.71	n.a.	n.a.	%	PMID[38783072]
NPO42417	Achillea vermicularis	Oil	n.a.	0	n.a.	n.a.	%	PMID[38783072]
NPO42417	Achillea vermicularis	Oil	n.a.	0.4	n.a.	n.a.	%	PMID[38783072]
NPO42417	Achillea vermicularis	Oil	n.a.	0.68	n.a.	n.a.	%	PMID[38783072]
NPO42417	Achillea vermicularis	Oil	n.a.	0.14	n.a.	n.a.	%	PMID[38783072]
NPO42417	Achillea vermicularis	Oil	n.a.	0.18	n.a.	n.a.	%	PMID[38783072]
NPO44036	Michelia x alba	Oil	n.a.	0.23	n.a.	n.a.	%	PMID[32836380]
NPO46333	Isolona dewevrei	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[33260296]
NPO53536	Salvia japonica	Oil	n.a.	0.50	n.a.	n.a.	%	PMID[34332066]
NPO54179	Magnolia sumatrana var. glauca	Oil	Branches	0.17	n.a.	n.a.	%	PMID[34328033]
NPO56501	Lavandula Angustifolia	Oil	n.a.	0.39	n.a.	n.a.	%	PMID[36432879]
NPO56501	Lavandula Angustifolia	Oil	n.a.	0.4	n.a.	n.a.	%	PMID[36432879]
NPO56501	Lavandula Angustifolia	Oil	n.a.	0.45	n.a.	n.a.	%	PMID[36432879]
NPO56501	Lavandula Angustifolia	Oil	n.a.	1.11	n.a.	n.a.	%	PMID[36432879]
NPO56501	Lavandula Angustifolia	Oil	n.a.	0.41	n.a.	n.a.	%	PMID[36432879]
NPO56501	Lavandula Angustifolia	Oil	n.a.	0.34	n.a.	n.a.	%	PMID[36432879]
NPO56519	Goniothalamus yunnanensis	Oil	n.a.	0.13	n.a.	n.a.	%	PMID[39102300]
NPO57598	Lavandula intermedia	Oil	n.a.	5.32Â±0.78	n.a.	n.a.	Î¼g/Î¼L	PMID[38370080]
NPO58055	Lavandula abrialis	Oil	n.a.	0.20	n.a.	n.a.	%	PMID[31500359]
NPO64307	Achillea tenuifolia	Oil	n.a.	0.85	n.a.	n.a.	%	PMID[38783072]
NPO64307	Achillea tenuifolia	Oil	n.a.	0	n.a.	n.a.	%	PMID[38783072]
NPO64307	Achillea tenuifolia	Oil	n.a.	0.64	n.a.	n.a.	%	PMID[38783072]
NPO64307	Achillea tenuifolia	Oil	n.a.	0.53	n.a.	n.a.	%	PMID[38783072]
NPO64307	Achillea tenuifolia	Oil	n.a.	0.29	n.a.	n.a.	%	PMID[38783072]
NPO6701	Cinnamomum camphora	Oil	n.a.	0.5	n.a.	n.a.	%	PMID[34500567]
NPO6701	Cinnamomum camphora	Oil	n.a.	0.2	n.a.	n.a.	%	PMID[34500567]
NPO7247	Cymbopogon citratus	Oil	n.a.	0.28	n.a.	n.a.	%	PMID[34332066]
NPO7513	Cannabis sativa	Oil	n.a.	0.2 Â± 0.02	n.a.	n.a.	%	PMID[39064881]
NPO8666	Acorus tatarinowii	Oil	n.a.	0.32	n.a.	n.a.	%	PMID[38821245]
NPO9370	Piper gaudichaudianum	Oil	Leaves	1.26	n.a.	n.a.	%	PMID[37396469]
NPO9396	Carpesium divaricatum	Oil	n.a.	0.5	n.a.	n.a.	%	PMID[31816933]
NPO9396	Carpesium divaricatum	Oil	n.a.	0.6	n.a.	n.a.	%	PMID[31816933]
NPO9396	Carpesium divaricatum	Oil	n.a.	0.8	n.a.	n.a.	%	PMID[31816933]
NPO9396	Carpesium divaricatum	Oil	n.a.	1.0	n.a.	n.a.	%	PMID[31816933]

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

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

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 NPC60427 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	32782
0.1-0.2	16357
0.2-0.3	691
0.3-0.4	25
0.4-0.5	2
0.5-0.6	0
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
0.6897	Remote Similarity	NPC475704
0.6897	Remote Similarity	NPC135650

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC60427 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	8404
0.1-0.2	717
0.2-0.3	29
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