NPASS Compound

Natural Product: NPC95581

Natural Product ID	NPC95581
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	2-[(1R)-2,2,3-Trimethylcyclopent-3-En-1-Yl]Acetaldehyde
IUPAC Name	2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde
Synonyms
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	CHEMBL3184714
PubChem CID	1252759
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000012] Lipids and lipid-like molecules [CHEMONTID:0000259] Prenol lipids [CHEMONTID:0001549] Monoterpenoids [CHEMONTID:0001563] Monocyclic 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 27 0 0 0 0 0 0 0 0999 V2000 2.2611 -1.1275 -0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0108 -0.8255 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2963 -1.6505 0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8841 -0.9661 1.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9168 0.3952 0.7784 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1351 0.5009 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2031 -0.5025 -1.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1765 -0.4704 -1.8895 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3754 0.5253 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3536 1.0570 -1.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3004 1.4210 0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1514 -0.6360 -0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1307 -0.8208 -1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4547 -2.2213 -0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -2.6886 1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7846 -0.8944 2.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8012 -1.5577 1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0094 1.1444 1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0217 0.3475 0.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2398 1.5264 -0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4479 -1.2366 -1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3603 1.5247 -1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2257 0.3004 -2.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3722 1.9140 -1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7781 2.3809 1.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1526 1.6951 0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6131 0.8650 1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 5 9 1 0 9 10 1 0 9 11 1 0 9 2 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 1 6 19 1 0 6 20 1 0 7 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 M END

Standard InCHIKey	OGCGGWYLHSJRFY-SECBINFHSA-N
Standard InCHI	InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1
SMILES	CC1=CC[C@H](CC=O)C1(C)C

Calculated Properties

Physi-Chem Properties

Molecular Weight:	152.12	Volume:	176.477 ? Van der Waals volume.
Dense:	0.862	LogP:	2.312 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	2.23 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-2.128 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	2.0	Rigid Bonds:	6.0
TPSA:	17.07 ? Topological Polar Surface Area.	H-Bond Acceptor:	1.0
H-Bond Donor:	0.0	Rings:	1.0
Heavy Atoms:	1.0

MedChem Properties

QED Drug-Likeness Score:	0.439	GASA:	0.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	3.651	Fsp³:	0.7
MCE-18:	18.824 ? 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:	1
Chelating Alert:	0	PAINS Alert:	0
Colloidal aggregators:	0.301	Fluc inhibitor:	0.011 ? 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:	0.0 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.999	Promiscuous compounds:	0.139

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-4.658	MDCK Permeability:	-4.193
Pgp-inhibitor:	0.835	Pgp-substrate:	0.297
PAMPA:	0.256 ? 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):	0.149
20% Bioavailability (F20%):	0.329	30% Bioavailability (F30%):	0.314
50% Bioavailability (F50%):	0.64

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.055	MRP1:	0.815
Plasma Protein Binding (PPB):	78.835%	Volume Distribution (VD):	0.402
Fu:	22.361% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	0.847
OATP1B3 inhibitor:	0.653	BCRP inhibitor:	0.121
BSEP inhibitor:	0.86

ADMET: Metabolism

CYP1A2-inhibitor:	0.995	CYP1A2-substrate:	0.192
CYP2C19-inhibitor:	0.998	CYP2C19-substrate:	0.137
CYP2C9-inhibitor:	0.996	CYP2C9-substrate:	0.025
CYP2D6-inhibitor:	0.217	CYP2D6-substrate:	0.676
CYP3A4-inhibitor:	0.983	CYP3A4-substrate:	0.959
CYP2B6-substrate:	0.998	CYP2C8-inhibitor:	0.909
HLM stability:	0.959 ? Human liver microsomal (HLM) stability. Category 0: stable+ (HLM > 30 min); Category 1: unstable- (HLM ≤ 30 min). The output value is the probability of human liver microsomal instability, where a value closer to 1 indicates a higher likelihood of instability.

ADMET: Excretion

Clearance (CL):

10.708

Half-life (T1/2):

1.122

ADMET: Toxicity

hERG Blockers:	0.036	hERG Blockers (10um):	0.302
Human Hepatotoxicity (H-HT):	0.402	Drug-induced Liver Injury (DILI):	0.522
AMES Toxicity:	0.393	Rat Oral Acute Toxicity:	0.375
Maximum Recommended Daily Dose:	0.222	Skin Sensitization:	0.896
Carcinogencity:	0.443	Eye Corrosion:	0.964
Eye Irritation:	0.984	Respiratory Toxicity:	0.515
Drug-induced Neurotoxicity:	0.69	Ototoxicity:	0.259
Hematotoxicity:	0.46	Drug-induced Nephrotoxicity:	0.356
Genotoxicity:	0.396	RPMI-8226 Immunitoxicity:	0.048
A549 Cytotoxicity:	0.13	Hek293 Cytotoxicity:	0.116
BCF:	0.738 ? Bioconcentration factors are used for considering secondary poisoning potential and assessing risks to human health via the food chain. The unit is -log10[(mg/L)/(1000*MW)].	IGC50:	3.243 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	4.431 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	4.225 ? 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
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.1016/j.foodchem.2009.03.042]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.3136/fstr.15.499]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.5897/AJB10.140]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.5897/AJB2010.000-3252]
NPO7657	Plectranthus ornatus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12398532]
NPO28942	Tetraclinis articulata	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12828472]
NPO4513	Commiphora africana	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15679332]
NPO15520	Dracocephalum kotschyi	Species	Lamiaceae	Eukaryota	n.a.	leaf	n.a.	PMID[15949825]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16249088]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	n.a.	fruit	n.a.	PMID[18020353]
NPO28807	Laggera pterodonta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20506820]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	aerial part	n.a.	PMID[20973550]
NPO25518	Hedychium coronarium	Species	Zingiberaceae	Eukaryota	rhizomes	n.a.	n.a.	PMID[21106458]
NPO11772	Pistacia lentiscus	Species	Anacardiaceae	Eukaryota	n.a.	latex	n.a.	PMID[21800858]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22934600]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	n.a.	whole plant	n.a.	PMID[23678820]
NPO15137	Sideritis scardica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24102372]
NPO18343	Lavandula pedunculata	Species	Lamiaceae	Eukaryota	Flowers	Yili, China	n.a.	PMID[24621197]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	Tongxiang, China	n.a.	PMID[24621197]
NPO10219	Juniperus communis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24913660]
NPO18155	Salvia argentea	Species	Lamiaceae	Eukaryota	n.a.	aerial part	n.a.	PMID[25880372]
NPO20874	Tanacetum vulgare	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25924515]
NPO15520	Dracocephalum kotschyi	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26522747]
NPO12498	Carpesium cernuum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27668963]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	Seeds	n.a.	n.a.	PMID[28134521]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	PMID[28248102]
NPO49891	Hedychium gracile	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29252004]
NPO6429	Phlomis regelii	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29468889]
NPO62890	Anacyclus monanthos subsp. cyrtolepidioides	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29495887]
NPO15520	Dracocephalum kotschyi	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29873264]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	Fruits	n.a.	n.a.	PMID[30543429]
NPO52646	Baccharis oreophila	Genus	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30673172]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30792999]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	Fruits	n.a.	n.a.	PMID[30848923]
NPO45707	Echinophora spinosa	Genus	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30963429]
NPO60907	Thymus Willdenowii	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30990332]
NPO59388	Nepeta transcaucasica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31029727]
NPO48128	Nepeta melissifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31029727]
NPO54758	Nepeta sibirica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31029727]
NPO47379	Boswellia dalzielii	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31071599]
NPO47856	Ansellia africana	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31140321]
NPO843	Meriandra dianthera	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31336582]
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]
NPO28807	Laggera pterodonta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31664789]
NPO17930	Ambrosia trifida	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31692228]
NPO9396	Carpesium divaricatum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31816933]
NPO60668	Arnica Chamissonis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31817349]
NPO11882	Cedrus libani	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32092041]
NPO52014	Nepeta binaloudensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32092043]
NPO55544	Nepeta assurgens	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32092043]
NPO16646	Artemisia campestris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32372353]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32415726]
NPO3689	Cinnamomum verum	Species	Lauraceae	Eukaryota	Bark	n.a.	n.a.	PMID[33151073]
NPO15520	Dracocephalum kotschyi	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33172599]
NPO59176	Teucrium Capitatum L. Subsp. Lusitanicum	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33230534]
NPO16646	Artemisia campestris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33588649]
NPO28942	Tetraclinis articulata	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33669825]
NPO12498	Carpesium cernuum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33810440]
NPO56743	Cistus ladanifer	Species	Cistaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33921855]
NPO47856	Ansellia africana	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34361724]
NPO56717	Thymus atticus	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34405529]
NPO3689	Cinnamomum verum	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[34684884]
NPO11772	Pistacia lentiscus	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35014943]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35108453]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35264638]
NPO10219	Juniperus communis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35481430]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35608311]
NPO53861	Nepeta mahanensis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35752826]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[35889256]
NPO44665	Achillea coarctata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36006860]
NPO55060	Ferula macrecolea	Genus	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36118048]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36144869]
NPO57173	Nepeta sessilifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36220839]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36235238]
NPO56743	Cistus ladanifer	Species	Cistaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36243295]
NPO15520	Dracocephalum kotschyi	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36253818]
NPO43913	Adenophyllum porophyllum var. cancellatum	Genus	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36304152]
NPO3689	Cinnamomum verum	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36364159]
NPO3689	Cinnamomum verum	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36401242]
NPO16473	Araucaria bidwillii	Species	Araucariaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36542210]
NPO42169	Araucaria heterophylla	Species	Araucariaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36542210]
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]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36677644]
NPO43457	Thymus holosericeus	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36679061]
NPO4988	Lavandula stoechas	Species	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]
NPO52404	Eucalyptus falcata	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36840164]
NPO61738	Sideritis sipylea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36840188]
NPO56095	Hedyosmum purpurascens	Genus	Chloranthaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36903611]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36903935]
NPO12878	Cupressus sempervirens	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36903957]
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]
NPO56325	Lavandula viridis	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]
NPO54547	Pseudotsuga menziesii var. glauca	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36985451]
NPO16414	Thuja plicata	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36985451]
NPO27584	Xylopia frutescens	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36985605]
NPO26268	Salvia aethiopis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36987013]
NPO4988	Lavandula stoechas	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[36987101]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37047195]
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]
NPO12878	Cupressus sempervirens	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37115147]
NPO59388	Nepeta transcaucasica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37151483]
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]
NPO56463	Grindelia squarrosa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37175263]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37179510]
NPO7657	Plectranthus ornatus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37226591]
NPO10219	Juniperus communis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37241749]
NPO10219	Juniperus communis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37298924]
NPO60240	Nepeta cyrenaica	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37387322]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37402865]
NPO45102	Cupressus arizonica	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37482262]
NPO15137	Sideritis scardica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37509192]
NPO9773	Sideritis raeseri	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37509192]
NPO25518	Hedychium coronarium	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37514241]
NPO20874	Tanacetum vulgare	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37630407]
NPO60061	Boswellia rivae	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37653941]
NPO4513	Commiphora africana	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37653941]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37667613]
NPO47860	Gonystylus bancanus	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37709800]
NPO7068	Tanacetum annuum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37760747]
NPO11772	Pistacia lentiscus	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37760813]
NPO7657	Plectranthus ornatus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37764258]
NPO12878	Cupressus sempervirens	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37801906]
NPO53087	Epaltes australis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37819841]
NPO42911	Vitex pseudo-negundo	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37822892]
NPO16646	Artemisia campestris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37849964]
NPO56217	Eucalyptus brevifolia	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37894690]
NPO51912	Eucalyptus extensa	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37894690]
NPO43140	Eucalyptus woolsiana	Genus	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37894690]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37917799]
NPO49252	Origanum grossii	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[37973884]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38005226]
NPO51649	Nepeta prostrata	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38035604]
NPO46710	Nepeta saturejoides	Genus	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38035604]
NPO57173	Nepeta sessilifolia	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38035604]
NPO54077	Nepeta fissa	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38035604]
NPO59904	Nepeta ucranica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38035604]
NPO4988	Lavandula stoechas	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38053906]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38067590]
NPO49814	Eucalyptus griffthsii	Genus	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38125419]
NPO61898	Eucalyptus Lesouefii	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38125419]
NPO24972	Ocimum kilimandscharicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38144100]
NPO57072	Prangos trifida	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38247600]
NPO11772	Pistacia lentiscus	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38263385]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38263385]
NPO11772	Pistacia lentiscus	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38356989]
NPO25864	Kunzea ericoides	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38370080]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38380569]
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]
NPO42169	Araucaria heterophylla	Species	Araucariaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38513004]
NPO55098	Ambrosia acanthicarpa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38543021]
NPO26551	Artemisia ludoviciana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38543021]
NPO17517	Artemisia arborescens	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38592817]
NPO26268	Salvia aethiopis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38611827]
NPO18155	Salvia argentea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38611827]
NPO53768	Salvia ringens	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38611827]
NPO46518	Salvia verticillata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38611827]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38617605]
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]
NPO13182	Achillea wilhelmsii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38783072]
NPO16414	Thuja plicata	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38794396]
NPO19162	Tsuga heterophylla	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38794396]
NPO47860	Gonystylus bancanus	Species	Thymelaeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[38802441]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39063231]
NPO21821	Aeschynomene indica	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39124959]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39135848]
NPO54000	Eucalyptus urograndis	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39204628]
NPO25518	Hedychium coronarium	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39317685]
NPO61330	Tetraclinis articulate	Genus	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39345860]
NPO13182	Achillea wilhelmsii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39349567]
NPO53478	Boswellia serrata	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39363235]
NPO55822	Kleinia anteuphorbium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39403475]
NPO42856	Salvia Sahendica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39438657]
NPO11772	Pistacia lentiscus	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39468086]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39520005]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39588261]
NPO12878	Cupressus sempervirens	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39592457]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39592457]
NPO56522	Asparagus pastorianus	Species	Asparagaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39690495]
NPO44392	Gynoxys reinaldii	Genus	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39771242]
NPO53844	Gynoxys pulchella	Genus	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[39771242]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	Leaves	n.a.	n.a.	PMID[8864235]
NPO9396	Carpesium divaricatum	Species	Asteraceae	Eukaryota	n.a.	aerial part	n.a.	PMID[9392887]
NPO3689	Cinnamomum verum	Species	Lauraceae	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]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO26551	Artemisia ludoviciana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO16414	Thuja plicata	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO13182	Achillea wilhelmsii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO11882	Cedrus libani	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO20874	Tanacetum vulgare	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12878	Cupressus sempervirens	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO17517	Artemisia arborescens	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO56325	Lavandula viridis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO25518	Hedychium coronarium	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO45102	Cupressus arizonica	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO26268	Salvia aethiopis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15137	Sideritis scardica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO10219	Juniperus communis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15520	Dracocephalum kotschyi	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO7068	Tanacetum annuum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO18343	Lavandula pedunculata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO28807	Laggera pterodonta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO16646	Artemisia campestris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO28942	Tetraclinis articulata	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9773	Sideritis raeseri	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO19162	Tsuga heterophylla	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO4988	Lavandula stoechas	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO54758	Nepeta sibirica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12498	Carpesium cernuum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO18155	Salvia argentea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9396	Carpesium divaricatum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO46518	Salvia verticillata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO55098	Ambrosia acanthicarpa	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO16473	Araucaria bidwillii	Species	Araucariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO44665	Achillea coarctata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO42169	Araucaria heterophylla	Species	Araucariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO3689	Cinnamomum verum	Species	Lauraceae	Eukaryota	Bark	n.a.	n.a.	Database[FooDB]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	Bark	n.a.	n.a.	Database[FooDB]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	Leaf	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]
NPO14798	Origanum majorana	Species	Lamiaceae	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]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	Stem Bark	n.a.	n.a.	Database[FooDB]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	Tissue Culture	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]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO3689	Cinnamomum verum	Species	Lauraceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO10219	Juniperus communis	Species	Cupressaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO24972	Ocimum kilimandscharicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19162	Tsuga heterophylla	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	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]
NPO25518	Hedychium coronarium	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO10219	Juniperus communis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO16473	Araucaria bidwillii	Species	Araucariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO16646	Artemisia campestris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO15520	Dracocephalum kotschyi	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO16414	Thuja plicata	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20874	Tanacetum vulgare	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26551	Artemisia ludoviciana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO3689	Cinnamomum verum	Species	Lauraceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO42012	Rosmarinus officinalis	Species	Lamiaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO3689	Cinnamomum verum	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16646	Artemisia campestris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25518	Hedychium coronarium	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10219	Juniperus communis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16414	Thuja plicata	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20874	Tanacetum vulgare	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19162	Tsuga heterophylla	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26551	Artemisia ludoviciana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16473	Araucaria bidwillii	Species	Araucariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15520	Dracocephalum kotschyi	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO24972	Ocimum kilimandscharicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO12878	Cupressus sempervirens	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11772	Pistacia lentiscus	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10219	Juniperus communis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO26551	Artemisia ludoviciana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO25518	Hedychium coronarium	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO24972	Ocimum kilimandscharicum	Species	Lamiaceae	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]
NPO16646	Artemisia campestris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO28807	Laggera pterodonta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29169	Origanum vulgare	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6429	Phlomis regelii	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16414	Thuja plicata	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18343	Lavandula pedunculata	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20874	Tanacetum vulgare	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15520	Dracocephalum kotschyi	Species	Lamiaceae	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]
NPO20440	Chrysanthemum x morifolium	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25864	Kunzea ericoides	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25518	Hedychium coronarium	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28942	Tetraclinis articulata	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28807	Laggera pterodonta	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9138	Syzygium cumini	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13182	Achillea wilhelmsii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12498	Carpesium cernuum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14798	Origanum majorana	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7068	Tanacetum annuum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16473	Araucaria bidwillii	Species	Araucariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15137	Sideritis scardica	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO843	Meriandra dianthera	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12878	Cupressus sempervirens	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27584	Xylopia frutescens	Species	Annonaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21821	Aeschynomene indica	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15388	Eucalyptus globulus	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16646	Artemisia campestris	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7657	Plectranthus ornatus	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17930	Ambrosia trifida	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24972	Ocimum kilimandscharicum	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9396	Carpesium divaricatum	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19162	Tsuga heterophylla	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4513	Commiphora africana	Species	Burseraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18155	Salvia argentea	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26268	Salvia aethiopis	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11772	Pistacia lentiscus	Species	Anacardiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9773	Sideritis raeseri	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10219	Juniperus communis	Species	Cupressaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17517	Artemisia arborescens	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26551	Artemisia ludoviciana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3689	Cinnamomum verum	Species	Lauraceae	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
NPO10219	Juniperus communis	Hydrolate	n.a.	0.17 Â± 0.01	n.a.	n.a.	%	PMID[37241749]
NPO11772	Pistacia lentiscus	Hydro distillation	n.a.	0.12Â±0.00	n.a.	n.a.	%	PMID[39468086]
NPO11772	Pistacia lentiscus	Steam distillation	n.a.	2.34Â±0.01	n.a.	n.a.	%	PMID[39468086]
NPO11772	Pistacia lentiscus	Superheated steam extraction	n.a.	1.08Â±0.03	n.a.	n.a.	%	PMID[39468086]
NPO11882	Cedrus libani	Oil	n.a.	0.1Â±0.0	n.a.	n.a.	%	PMID[32092041]
NPO11882	Cedrus libani	Oil	n.a.	0.2Â±0.0	n.a.	n.a.	%	PMID[32092041]
NPO12498	Carpesium cernuum	Oil	n.a.	0.4	n.a.	n.a.	%	PMID[33810440]
NPO12878	Cupressus sempervirens	Oil	n.a.	0.02	n.a.	n.a.	%	PMID[39592457]
NPO13182	Achillea wilhelmsii	Oil	n.a.	0.4	n.a.	n.a.	%	PMID[38783072]
NPO13182	Achillea wilhelmsii	Oil	n.a.	0.76	n.a.	n.a.	%	PMID[38783072]
NPO13182	Achillea wilhelmsii	Oil	n.a.	0.15	n.a.	n.a.	%	PMID[38783072]
NPO13182	Achillea wilhelmsii	Oil	n.a.	0.51	n.a.	n.a.	%	PMID[38783072]
NPO13182	Achillea wilhelmsii	Oil	n.a.	0.11	n.a.	n.a.	%	PMID[38783072]
NPO13182	Achillea wilhelmsii	Oil	n.a.	0	n.a.	n.a.	%	PMID[38783072]
NPO13182	Achillea wilhelmsii	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[38783072]
NPO13182	Achillea wilhelmsii	Oil	n.a.	0.16	n.a.	n.a.	%	PMID[38783072]
NPO14798	Origanum majorana	Oil	n.a.	1.82 Â± 0.02	n.a.	n.a.	%	PMID[37175125]
NPO14798	Origanum majorana	Oil	n.a.	1.22 Â± 0.01	n.a.	n.a.	%	PMID[37175125]
NPO14798	Origanum majorana	Oil	n.a.	0.94 Â± 0.01	n.a.	n.a.	%	PMID[37175125]
NPO14798	Origanum majorana	Oil	n.a.	1.75 Â± 0.01	n.a.	n.a.	%	PMID[37175125]
NPO14798	Origanum majorana	Oil	n.a.	0.59 Â± 0.01	n.a.	n.a.	%	PMID[37175125]
NPO15137	Sideritis scardica	Oil	n.a.	0.31	n.a.	n.a.	%	PMID[37509192]
NPO15388	Eucalyptus globulus	Oil	n.a.	0.14	n.a.	n.a.	%	PMID[39592457]
NPO15520	Dracocephalum kotschyi	Oil	n.a.	3.8666	n.a.	n.a.	%	PMID[36253818]
NPO15520	Dracocephalum kotschyi	Oil	n.a.	4.8	n.a.	n.a.	%	PMID[29873264]
NPO15520	Dracocephalum kotschyi	Oil	n.a.	6.22 Â± 0.01	n.a.	n.a.	%	PMID[33172599]
NPO16414	Thuja plicata	Oil	Leaves	0.1	n.a.	n.a.	%	PMID[38794396]
NPO16473	Araucaria bidwillii	Oil	n.a.	1.36	n.a.	n.a.	%	PMID[36542210]
NPO16646	Artemisia campestris	Oil	n.a.	0.1Â±0.0	n.a.	n.a.	%	PMID[32372353]
NPO17517	Artemisia arborescens	Oil	n.a.	0.2	n.a.	n.a.	%	PMID[38592817]
NPO17930	Ambrosia trifida	Oil	n.a.	0.8	n.a.	n.a.	%	PMID[31692228]
NPO18155	Salvia argentea	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[38611827]
NPO18155	Salvia argentea	Oil	n.a.	0.4	n.a.	n.a.	%	PMID[38611827]
NPO18343	Lavandula pedunculata	Oil	n.a.	0.1â€“0.4	n.a.	n.a.	%	PMID[36984777]
NPO19162	Tsuga heterophylla	Oil	Leaves	0.1	n.a.	n.a.	%	PMID[38794396]
NPO20874	Tanacetum vulgare	Oil	n.a.	5.98	n.a.	n.a.	%	PMID[37630407]
NPO21821	Aeschynomene indica	Oil	Leaves	1.3	n.a.	n.a.	%	PMID[39124959]
NPO21821	Aeschynomene indica	Oil	Stems	0.6	n.a.	n.a.	%	PMID[39124959]
NPO24972	Ocimum kilimandscharicum	n.a.	Leaves	9.23	n.a.	n.a.	%	PMID[38144100]
NPO25518	Hedychium coronarium	Oil	Rhizomes	0	n.a.	n.a.	%	PMID[37514241]
NPO25518	Hedychium coronarium	Oil	Rhizomes	0.1	n.a.	n.a.	%	PMID[37514241]
NPO25518	Hedychium coronarium	Oil	Leaves	0	n.a.	n.a.	%	PMID[37514241]
NPO25518	Hedychium coronarium	Oil	Leaves	0.2	n.a.	n.a.	%	PMID[37514241]
NPO25518	Hedychium coronarium	Oil	Leaves	0.1	n.a.	n.a.	%	PMID[37514241]
NPO25864	Kunzea ericoides	Oil	n.a.	4.87Â±0.49	n.a.	n.a.	Î¼g/Î¼L	PMID[38370080]
NPO26268	Salvia aethiopis	Oil	n.a.	0.3	n.a.	n.a.	%	PMID[38611827]
NPO26551	Artemisia ludoviciana	Oil	Aerial parts	0.1	n.a.	n.a.	%	PMID[38543021]
NPO27584	Xylopia frutescens	Oil	n.a.	0.12	n.a.	n.a.	%	PMID[36985605]
NPO28942	Tetraclinis articulata	Oil	n.a.	0.2	n.a.	n.a.	%	PMID[33669825]
NPO28942	Tetraclinis articulata	Oil	n.a.	0.3	n.a.	n.a.	%	PMID[33669825]
NPO29169	Origanum vulgare	Oil	n.a.	0.92 Â± 0.02	n.a.	n.a.	%	PMID[37175125]
NPO29169	Origanum vulgare	Oil	n.a.	0.85 Â± 0.01	n.a.	n.a.	%	PMID[37175125]
NPO29169	Origanum vulgare	Oil	n.a.	0.58 Â± 0.01	n.a.	n.a.	%	PMID[37175125]
NPO29169	Origanum vulgare	Oil	n.a.	1.03 Â± 0.01	n.a.	n.a.	%	PMID[37175125]
NPO29169	Origanum vulgare	Oil	n.a.	0.93 Â± 0.01	n.a.	n.a.	%	PMID[37175125]
NPO3689	Cinnamomum verum	Oil	Leaves	0.09	n.a.	n.a.	%	PMID[36364159]
NPO42012	Rosmarinus officinalis	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[38474654]
NPO42169	Araucaria heterophylla	Oil	n.a.	1.04	n.a.	n.a.	%	PMID[36542210]
NPO42856	Salvia Sahendica	Oil	Stems	0.1	n.a.	n.a.	%	PMID[39438657]
NPO42911	Vitex pseudo-negundo	Oil	Fruits	0.5	n.a.	n.a.	%	PMID[37822892]
NPO43140	Eucalyptus woolsiana	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[37894690]
NPO43457	Thymus holosericeus	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[36679061]
NPO43457	Thymus holosericeus	Oil	n.a.	0.04	n.a.	n.a.	%	PMID[36679061]
NPO43913	Adenophyllum porophyllum var. cancellatum	Oil	n.a.	0.4	n.a.	n.a.	%	PMID[36304152]
NPO44392	Gynoxys reinaldii	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[39771242]
NPO44392	Gynoxys reinaldii	Oil	n.a.	0.2	n.a.	n.a.	%	PMID[39771242]
NPO44665	Achillea coarctata	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[36006860]
NPO44665	Achillea coarctata	Oil	n.a.	0.2	n.a.	n.a.	%	PMID[36006860]
NPO45102	Cupressus arizonica	Oil	n.a.	0.18	n.a.	n.a.	%	PMID[37482262]
NPO4513	Commiphora africana	Oil	n.a.	1.2	n.a.	n.a.	%	PMID[37653941]
NPO4513	Commiphora africana	Oil	n.a.	0.7	n.a.	n.a.	%	PMID[37653941]
NPO45707	Echinophora spinosa	Oil	n.a.	0.1Â±0.0	n.a.	n.a.	%	PMID[30963429]
NPO46518	Salvia verticillata	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[38611827]
NPO46710	Nepeta saturejoides	Oil	n.a.	0.4	n.a.	n.a.	%	PMID[38035604]
NPO47379	Boswellia dalzielii	Oil	n.a.	0.4	n.a.	n.a.	%	PMID[31071599]
NPO47379	Boswellia dalzielii	Oil	n.a.	0.7	n.a.	n.a.	%	PMID[31071599]
NPO47379	Boswellia dalzielii	Oil	n.a.	0.6	n.a.	n.a.	%	PMID[31071599]
NPO47379	Boswellia dalzielii	Oil	n.a.	0.8	n.a.	n.a.	%	PMID[31071599]
NPO47379	Boswellia dalzielii	Oil	n.a.	1.0	n.a.	n.a.	%	PMID[31071599]
NPO47379	Boswellia dalzielii	Oil	n.a.	1.1	n.a.	n.a.	%	PMID[31071599]
NPO47856	Ansellia africana	n.a.	n.a.	0.55	n.a.	n.a.	%	PMID[31140321]
NPO47856	Ansellia africana	n.a.	n.a.	0.47	n.a.	n.a.	%	PMID[31140321]
NPO47860	Gonystylus bancanus	Oil	n.a.	1.80	n.a.	n.a.	%	PMID[38802441]
NPO48128	Nepeta melissifolia	Oil	n.a.	0.18Â±0.00	n.a.	n.a.	%	PMID[31029727]
NPO49252	Origanum grossii	Oil	n.a.	1.157	n.a.	n.a.	%	PMID[37973884]
NPO49814	Eucalyptus griffthsii	Oil	n.a.	0.2	n.a.	n.a.	%	PMID[38125419]
NPO4988	Lavandula stoechas	Oil	n.a.	0.4	n.a.	n.a.	%	PMID[36984777]
NPO4988	Lavandula stoechas	Oil	n.a.	0.1â€“0.2	n.a.	n.a.	%	PMID[36984777]
NPO4988	Lavandula stoechas	Oil	n.a.	0.02â€“0.1	n.a.	n.a.	%	PMID[36984777]
NPO49891	Hedychium gracile	Oil	n.a.	0.84	n.a.	n.a.	%	PMID[29252004]
NPO51649	Nepeta prostrata	Oil	n.a.	0.4	n.a.	n.a.	%	PMID[38035604]
NPO51649	Nepeta prostrata	Oil	n.a.	0.7	n.a.	n.a.	%	PMID[38035604]
NPO51912	Eucalyptus extensa	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[37894690]
NPO52014	Nepeta binaloudensis	Oil	n.a.	0.2	n.a.	n.a.	%	PMID[32092043]
NPO52404	Eucalyptus falcata	Oil	n.a.	0.2	n.a.	n.a.	%	PMID[36840164]
NPO52646	Baccharis oreophila	Oil	n.a.	0.16	n.a.	n.a.	%	PMID[30673172]
NPO53087	Epaltes australis	Oil	Leaves	0.1	n.a.	n.a.	%	PMID[37819841]
NPO53478	Boswellia serrata	Oil	n.a.	0.33 Â± 0.01	n.a.	n.a.	%	PMID[39363235]
NPO53768	Salvia ringens	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[38611827]
NPO53844	Gynoxys pulchella	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[39771242]
NPO53861	Nepeta mahanensis	Oil	n.a.	1.02	n.a.	n.a.	%	PMID[35752826]
NPO54000	Eucalyptus urograndis	Oil	Leaves	0.26	n.a.	n.a.	%	PMID[39204628]
NPO54000	Eucalyptus urograndis	Oil	Leaves	0.06	n.a.	n.a.	%	PMID[39204628]
NPO54000	Eucalyptus urograndis	Oil	Leaves	0.18	n.a.	n.a.	%	PMID[39204628]
NPO54000	Eucalyptus urograndis	Oil	Leaves	0.16	n.a.	n.a.	%	PMID[39204628]
NPO54077	Nepeta fissa	Oil	n.a.	0.7	n.a.	n.a.	%	PMID[38035604]
NPO54077	Nepeta fissa	Oil	n.a.	1.4	n.a.	n.a.	%	PMID[38035604]
NPO54547	Pseudotsuga menziesii var. glauca	Oil	Leaves	0.1	n.a.	n.a.	%	PMID[36985451]
NPO54758	Nepeta sibirica	Oil	n.a.	0.17Â±0.04	n.a.	n.a.	%	PMID[31029727]
NPO55060	Ferula macrecolea	Oil	n.a.	0.32	n.a.	n.a.	%	PMID[36118048]
NPO55098	Ambrosia acanthicarpa	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[38543021]
NPO55544	Nepeta assurgens	Oil	n.a.	0.4	n.a.	n.a.	%	PMID[32092043]
NPO55544	Nepeta assurgens	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[32092043]
NPO55822	Kleinia anteuphorbium	Oil	n.a.	0.44	n.a.	n.a.	%	PMID[39403475]
NPO56095	Hedyosmum purpurascens	Oil	n.a.	1.61 Â± 0.05	n.a.	n.a.	%	PMID[36903611]
NPO56095	Hedyosmum purpurascens	Oil	n.a.	0.35 Â± 0.01	n.a.	n.a.	%	PMID[36903611]
NPO56217	Eucalyptus brevifolia	Oil	n.a.	0.2	n.a.	n.a.	%	PMID[37894690]
NPO56325	Lavandula viridis	Oil	n.a.	0.4â€“0.8	n.a.	n.a.	%	PMID[36984777]
NPO56463	Grindelia squarrosa	Oil	n.a.	0.5	n.a.	n.a.	%	PMID[37175263]
NPO56522	Asparagus pastorianus	Oil	n.a.	0.5	n.a.	n.a.	%	PMID[39690495]
NPO56717	Thymus atticus	Oil	n.a.	0.3	n.a.	n.a.	%	PMID[34405529]
NPO56743	Cistus ladanifer	Oil	n.a.	0.18	n.a.	n.a.	%	PMID[33921855]
NPO56743	Cistus ladanifer	Oil	n.a.	0.73	n.a.	n.a.	%	PMID[33921855]
NPO56743	Cistus ladanifer	Oil	n.a.	0.16	n.a.	n.a.	%	PMID[33921855]
NPO57072	Prangos trifida	Oil	Stems	1.5	n.a.	n.a.	%	PMID[38247600]
NPO57173	Nepeta sessilifolia	Oil	n.a.	0.5	n.a.	n.a.	%	PMID[38035604]
NPO57173	Nepeta sessilifolia	Oil	n.a.	0.2	n.a.	n.a.	%	PMID[38035604]
NPO57173	Nepeta sessilifolia	Oil	n.a.	0.3	n.a.	n.a.	%	PMID[38035604]
NPO59176	Teucrium Capitatum L. Subsp. Lusitanicum	Oil	n.a.	0.2	n.a.	n.a.	%	PMID[33230534]
NPO59388	Nepeta transcaucasica	Oil	n.a.	0.28Â±0.02	n.a.	n.a.	%	PMID[31029727]
NPO59904	Nepeta ucranica	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[38035604]
NPO60061	Boswellia rivae	Oil	n.a.	0.3	n.a.	n.a.	%	PMID[37653941]
NPO60061	Boswellia rivae	Oil	n.a.	0.9	n.a.	n.a.	%	PMID[37653941]
NPO60061	Boswellia rivae	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[37653941]
NPO60061	Boswellia rivae	Oil	n.a.	0.5	n.a.	n.a.	%	PMID[37653941]
NPO60240	Nepeta cyrenaica	Oil	Leaves	0.28	n.a.	n.a.	%	PMID[37387322]
NPO60668	Arnica Chamissonis	Oil	n.a.	0.1Â±0.0	n.a.	n.a.	%	PMID[31817349]
NPO60907	Thymus Willdenowii	Oil	n.a.	0.4	n.a.	n.a.	%	PMID[30990332]
NPO61330	Tetraclinis articulate	Oil	n.a.	0.98	n.a.	n.a.	%	PMID[39345860]
NPO61738	Sideritis sipylea	Oil	n.a.	0.1 Â± 0.00	n.a.	n.a.	%	PMID[36840188]
NPO61738	Sideritis sipylea	Oil	n.a.	0.2 Â± 0.00	n.a.	n.a.	%	PMID[36840188]
NPO61898	Eucalyptus Lesouefii	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[38125419]
NPO62890	Anacyclus monanthos subsp. cyrtolepidioides	Oil	n.a.	0.1Â±0.0	n.a.	n.a.	%	PMID[29495887]
NPO63036	Abies lasiocarpa var. lasiocarpa	Oil	Leaves	---	n.a.	n.a.	%	PMID[36985451]
NPO6429	Phlomis regelii	Oil	n.a.	2.7	n.a.	n.a.	%	PMID[29468889]
NPO7068	Tanacetum annuum	Oil	n.a.	1.39	n.a.	n.a.	%	PMID[37760747]
NPO7657	Plectranthus ornatus	Oil	n.a.	0.77	n.a.	n.a.	%	PMID[37764258]
NPO7657	Plectranthus ornatus	Oil	n.a.	0.37	n.a.	n.a.	%	PMID[37764258]
NPO7657	Plectranthus ornatus	Oil	n.a.	0.06	n.a.	n.a.	%	PMID[37764258]
NPO843	Meriandra dianthera	Oil	n.a.	0.2 Â± 0.1	n.a.	n.a.	%	PMID[31336582]
NPO9138	Syzygium cumini	Oil	Leaves	0.3	n.a.	n.a.	%	PMID[38005226]
NPO9138	Syzygium cumini	Oil	Leaves	0.13	n.a.	n.a.	%	PMID[38067590]
NPO9138	Syzygium cumini	Oil	Bark	0.17	n.a.	n.a.	%	PMID[38067590]
NPO9396	Carpesium divaricatum	Oil	n.a.	0.6	n.a.	n.a.	%	PMID[31816933]
NPO9396	Carpesium divaricatum	Oil	n.a.	0.1	n.a.	n.a.	%	PMID[31816933]
NPO9773	Sideritis raeseri	Oil	n.a.	0.24	n.a.	n.a.	%	PMID[37509192]
NPO9773	Sideritis raeseri	Oil	n.a.	0.11	n.a.	n.a.	%	PMID[37509192]

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
Potency	3

Activity Type	# Activity
Others	3

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
NPT2	Others	Unspecified	n.a.	Potency	n.a.	27306	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	n.a.	Potency	n.a.	54941	nM	PubChem BioAssay data set

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
-	Rattus norvegicus	LD50	=	4100.0	mg/kg	ToxVal
-	Rattus norvegicus	LD50	>	2000.0	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 NPC95581 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	24406
0.1-0.2	24217
0.2-0.3	1204
0.3-0.4	23
0.4-0.5	8
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	Natural Product ID
		NPC

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC95581 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	7087
0.1-0.2	2021
0.2-0.3	42
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