Natural Product: NPC154650

Natural Product IDNPC154650
Common Name
?
The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
 WONIGEXYPVIKFS-HRDYMLBCSA-N
IUPAC Name n.a.
Synonyms
Synthetic Gene Cluster n.a.
ChEMBL Identifier n.a.
PubChem CID 164888
Chemical Classification
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000012] Lipids and lipid-like molecules
      • [CHEMONTID:0000259] Prenol lipids
        • [CHEMONTID:0001549] Monoterpenoids
          • [CHEMONTID:0001564] Bicyclic monoterpenoids

The Chemical Classification was calculated by Classyfire, a software for chemical taxonomy calculation. Reference: DOI:10.1186/s13321-016-0174-y.

  Chemical Representations

Standard InCHIKey WONIGEXYPVIKFS-HRDYMLBCSA-N
Standard InCHI InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9-/m1/s1
SMILES CC1=C[C@H]([C@@H]2C[C@H]1C2(C)C)O

  Calculated Properties

Physi-Chem Properties

Molecular Weight:   152.12 Volume:   170.557
?
Van der Waals volume.
Dense:   0.892 LogP:   2.76
?
The logarithm of the n-octanol/water distribution coefficients.
logD7.4:   2.651
?
The logarithm of the n-octanol/water distribution coefficient at pH=7.4.
 LogS:   -2.152
?
The logarithm of aqueous solubility value.
Rotatable Bonds:   0.0 Rigid Bonds:   8.0
TPSA:   20.23
?
Topological Polar Surface Area.
 H-Bond Acceptor:   1.0
H-Bond Donor:   1.0 Rings:   3.0
Heavy Atoms:   1.0

MedChem Properties

QED Drug-Likeness Score:   0.526 GASA:   0.0
?
GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:   4.872 Fsp3:   0.8
MCE-18:   33.222
?
MCE-18 stands for medicinal chemistry evolution.MCE-18≥45 is considered a suitable value.
 Lipinski Rule-of-5:   Rejected
Pfizer Rule:   Rejected GSK Rule:   Rejected
Golden Triangle Rule:   Accepted BMS Rule:   0
Chelating Alert:   0 PAINS Alert:   0
Colloidal aggregators:   0.453 Fluc inhibitor:   0.005
?
The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:   0.094
?
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:   0.739 Promiscuous compounds:   0.476

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:   -4.768 MDCK Permeability:   -4.582
Pgp-inhibitor:   0.778 Pgp-substrate:   0.564
PAMPA:   0.315
?
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):   0.057
20% Bioavailability (F20%):   0.342 30% Bioavailability (F30%):   0.399
50% Bioavailability (F50%):   0.72

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):   0.269 MRP1:   0.734
Plasma Protein Binding (PPB):   54.947% Volume Distribution (VD):   0.039
Fu: 42.005%
?
The fraction unbound in plasms.
 OATP1B1 inhibitor:   0.97
OATP1B3 inhibitor:   0.842 BCRP inhibitor:   0.105
BSEP inhibitor:   0.806

ADMET: Metabolism

CYP1A2-inhibitor:   0.023 CYP1A2-substrate:   0.297
CYP2C19-inhibitor:   0.626 CYP2C19-substrate:   0.06
CYP2C9-inhibitor:   0.153 CYP2C9-substrate:   0.198
CYP2D6-inhibitor:   0.55 CYP2D6-substrate:   0.087
CYP3A4-inhibitor:   0.88 CYP3A4-substrate:   0.616
CYP2B6-substrate:   0.0 CYP2C8-inhibitor:   0.234
HLM stability:   0.503
?
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):  13.741 Half-life (T1/2):  2.373

ADMET: Toxicity

hERG Blockers:  0.058 hERG Blockers (10um):  0.382
Human Hepatotoxicity (H-HT):  0.641 Drug-induced Liver Injury (DILI):  0.493
AMES Toxicity:  0.427 Rat Oral Acute Toxicity:  0.289
Maximum Recommended Daily Dose:  0.443 Skin Sensitization:  0.462
Carcinogencity:  0.482 Eye Corrosion:  0.379
Eye Irritation:  0.97 Respiratory Toxicity:  0.522
Drug-induced Neurotoxicity:  0.401 Ototoxicity:  0.532
Hematotoxicity:  0.387 Drug-induced Nephrotoxicity:  0.607
Genotoxicity:  0.228 RPMI-8226 Immunitoxicity:  0.072
A549 Cytotoxicity:  0.1 Hek293 Cytotoxicity:  0.119
BCF:   2.084
?
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:   3.417
?
48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:   4.552
?
48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].
 LC50FM:   4.127
?
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
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]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers n.a. n.a. DOI[10.1016/j.foodchem.2009.03.042]
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 2003–2005 DOI[10.1016/j.jfca.2006.05.007]
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota n.a. leaf n.a. DOI[10.1016/S0031-9422(00)94055-X]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/S0885-5765(05)80069-4]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers n.a. n.a. DOI[10.3136/fstr.15.499]
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota n.a. flower n.a. DOI[10.3390/70200245]
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]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota Flowers n.a. n.a. DOI[10.5897/JMPR.9000078]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. 1996-Sep PMID[10352947]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. fruit n.a. PMID[10606547]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[10606602]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota Leaves n.a. n.a. PMID[12088434]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. flower n.a. PMID[12130858]
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]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[15877880]
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[17689080]
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]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. aerial part n.a. PMID[18991207]
NPO7247 Cymbopogon citratus Species Poaceae Eukaryota n.a. n.a. n.a. PMID[19924037]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota essential oil Tibet n.a. PMID[20944522]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[21707257]
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]
NPO33477 Crithmum maritimum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[22472691]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. fruit n.a. PMID[23872723]
NPO15137 Sideritis scardica Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[24102372]
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[24617303]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers Tongxiang, China n.a. PMID[24621197]
NPO23289 Heracleum sphondylium Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[24697288]
NPO13331 Solidago canadensis Species Asteraceae Eukaryota n.a. Canada n.a. PMID[24999828]
NPO20874 Tanacetum vulgare Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[25924515]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[26099993]
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]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota Flowers n.a. n.a. PMID[28156114]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers n.a. n.a. PMID[28248102]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[2831703]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota Twigs n.a. n.a. PMID[28541690]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[29400471]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[29726697]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota Aerial Parts n.a. n.a. PMID[30726671]
NPO60907 Thymus Willdenowii Genus Lamiaceae Eukaryota n.a. n.a. n.a. PMID[30990332]
NPO47856 Ansellia africana Species Orchidaceae Eukaryota n.a. n.a. n.a. PMID[31140321]
NPO5692 Trachyspermum ammi Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[31218527]
NPO843 Meriandra dianthera Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[31336582]
NPO18735 Pinus mugo Species Pinaceae Eukaryota n.a. n.a. n.a. PMID[31475763]
NPO3527 Lavandula angustifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[31500359]
NPO11882 Cedrus libani Species Pinaceae Eukaryota n.a. n.a. n.a. PMID[32092041]
NPO33477 Crithmum maritimum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[32119174]
NPO9138 Syzygium cumini Species Myrtaceae Eukaryota n.a. n.a. n.a. PMID[32415726]
NPO3527 Lavandula angustifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[32664436]
NPO47068 Satureja metastasiantha Genus Lamiaceae Eukaryota n.a. n.a. n.a. PMID[32755101]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[32996318]
NPO3527 Lavandula angustifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[33255893]
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]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[33937995]
NPO47133 Stachys pilifera Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[33970244]
NPO7247 Cymbopogon citratus Species Poaceae Eukaryota n.a. n.a. n.a. PMID[34332066]
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]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[34443694]
NPO7247 Cymbopogon citratus Species Poaceae Eukaryota n.a. n.a. n.a. PMID[34453396]
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[34453492]
NPO59701 Lavandula angustifolia Mill. × Lavandula latifolia Medik. Genus Lamiaceae Eukaryota n.a. n.a. n.a. PMID[34577110]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[34770961]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[34771092]
NPO7247 Cymbopogon citratus Species Poaceae Eukaryota n.a. n.a. n.a. PMID[34946632]
NPO28183 Cymbopogon flexuosus Species Poaceae Eukaryota n.a. n.a. n.a. PMID[34946632]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[35143705]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[35268681]
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]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[35631245]
NPO42012 Rosmarinus officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[35889256]
NPO59923 Myriactis nepalensis Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[35889501]
NPO14951 Zanthoxylum acanthopodium Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[36014481]
NPO16758 Satureja cuneifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[36031812]
NPO54134 Croton linearis Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[36551370]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. PMID[36552598]
NPO58153 Ochradenus arabicus Species Resedaceae Eukaryota n.a. n.a. n.a. PMID[36616238]
NPO42012 Rosmarinus officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[36677644]
NPO3527 Lavandula angustifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[36773055]
NPO63000 Lavandula luisieri Genus Lamiaceae Eukaryota n.a. n.a. n.a. PMID[36773055]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[36840093]
NPO56095 Hedyosmum purpurascens Genus Chloranthaceae Eukaryota n.a. n.a. n.a. PMID[36903611]
NPO16758 Satureja cuneifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[36938717]
NPO27584 Xylopia frutescens Species Annonaceae Eukaryota n.a. n.a. n.a. PMID[36985605]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[37020229]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[37049761]
NPO13331 Solidago canadensis Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[37050047]
NPO42263 Ferulago glareosa Genus Apiaceae Eukaryota n.a. n.a. n.a. PMID[37070659]
NPO56463 Grindelia squarrosa Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[37175263]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[37226152]
NPO7657 Plectranthus ornatus Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[37226591]
NPO5692 Trachyspermum ammi Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[37445619]
NPO14951 Zanthoxylum acanthopodium Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[37471031]
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]
NPO23289 Heracleum sphondylium Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[37533365]
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]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. PMID[37746728]
NPO7657 Plectranthus ornatus Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[37764258]
NPO42911 Vitex pseudo-negundo Genus Lamiaceae Eukaryota n.a. n.a. n.a. PMID[37822892]
NPO33477 Crithmum maritimum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[37884443]
NPO9138 Syzygium cumini Species Myrtaceae Eukaryota n.a. n.a. n.a. PMID[37917799]
NPO7247 Cymbopogon citratus Species Poaceae Eukaryota n.a. n.a. n.a. PMID[37939623]
NPO9138 Syzygium cumini Species Myrtaceae Eukaryota n.a. n.a. n.a. PMID[38005226]
NPO9138 Syzygium cumini Species Myrtaceae Eukaryota n.a. n.a. n.a. PMID[38067590]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[38159180]
NPO57207 Thymus fontanesii Genus Lamiaceae Eukaryota n.a. n.a. n.a. PMID[38199324]
NPO57072 Prangos trifida Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[38247600]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[38257205]
NPO18680 Larix decidua Species Pinaceae Eukaryota n.a. n.a. n.a. PMID[38259911]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[38308284]
NPO3527 Lavandula angustifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[38337867]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[38370080]
NPO28183 Cymbopogon flexuosus Species Poaceae Eukaryota n.a. n.a. n.a. PMID[38370218]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[38381096]
NPO33477 Crithmum maritimum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[38472808]
NPO42012 Rosmarinus officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[38474654]
NPO33477 Crithmum maritimum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[38498561]
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]
NPO3527 Lavandula angustifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[38675563]
NPO33477 Crithmum maritimum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[38681233]
NPO42012 Rosmarinus officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[38695450]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[38695450]
NPO5692 Trachyspermum ammi Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[38714128]
NPO13182 Achillea wilhelmsii Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[38783072]
NPO3527 Lavandula angustifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[38843799]
NPO7247 Cymbopogon citratus Species Poaceae Eukaryota n.a. n.a. n.a. PMID[38931371]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. PMID[39013008]
NPO3527 Lavandula angustifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[39059304]
NPO42012 Rosmarinus officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[39063231]
NPO5692 Trachyspermum ammi Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[39064843]
NPO33477 Crithmum maritimum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[39065529]
NPO21821 Aeschynomene indica Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[39124959]
NPO3527 Lavandula angustifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[39129131]
NPO42012 Rosmarinus officinalis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[39135848]
NPO3527 Lavandula angustifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[39251682]
NPO13182 Achillea wilhelmsii Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[39349567]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. PMID[39395223]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[39407547]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[39410132]
NPO33477 Crithmum maritimum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[39455637]
NPO9138 Syzygium cumini Species Myrtaceae Eukaryota n.a. n.a. n.a. PMID[39588261]
NPO3527 Lavandula angustifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[39683763]
NPO42201 Artemisia herba-alba asso. Genus Asteraceae Eukaryota n.a. n.a. n.a. PMID[39717220]
NPO62240 Artemisia huguetii caball. Genus Asteraceae Eukaryota n.a. n.a. n.a. PMID[39717220]
NPO59027 Pulicaria burchardii Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[39795328]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[6821187]
NPO33477 Crithmum maritimum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[8254353]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
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]
NPO8650.1 Perilla frutescens var. arguta Varieties 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]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13331 Solidago canadensis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2592 Dactylosporangium salmoneum Species Micromonosporaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11680 Strychnos brachiata Species Loganiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13182 Achillea wilhelmsii Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18735 Pinus mugo Species Pinaceae 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]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8789 Schizonepeta tenuifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1880 Schizonepeta tenuisfolia 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]
NPO28942 Tetraclinis articulata Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1903 Cyperus haspan Species Cyperaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4711 Goniothalamus thwaitesii Species Annonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO6605 Neodiprion sertifer Species Diprionidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO51 Petalonia fascia Species Scytosiphonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5646 Phoma violacea Species Didymellaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO979 Salvinia imbricata Species Salviniaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17388 Schefferomitra subaequalis n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO9773 Sideritis raeseri Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO33477 Crithmum maritimum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18680 Larix decidua Species Pinaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12498 Carpesium cernuum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14951 Zanthoxylum acanthopodium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO46518 Salvia verticillata Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28183 Cymbopogon flexuosus Species Poaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO9138 Syzygium cumini Species Myrtaceae Eukaryota Bark n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Bark n.a. n.a. Database[FooDB]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota Essential Oil n.a. n.a. Database[FooDB]
NPO9138 Syzygium cumini Species Myrtaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Fruit Juice n.a. n.a. Database[FooDB]
NPO42012 Rosmarinus officinalis Species Lamiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO19472 Thymus vulgaris Species Lamiaceae 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]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Pericarp n.a. n.a. Database[FooDB]
NPO42012 Rosmarinus officinalis Species Lamiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota Plant 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]
NPO163 Daucus carota Species Apiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Root Bark n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO42012 Rosmarinus officinalis Species Lamiaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO163 Daucus carota Species Apiaceae Eukaryota Shoot 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]
NPO163 Daucus carota Species Apiaceae Eukaryota Tissue Culture n.a. n.a. Database[FooDB]
NPO42012 Rosmarinus officinalis Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7247 Cymbopogon citratus Species Poaceae Eukaryota n.a. n.a. Database[FooDB]
NPO9138 Syzygium cumini Species Myrtaceae 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]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae 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]
NPO7247 Cymbopogon citratus Species Poaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO23289 Heracleum sphondylium Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8789 Schizonepeta tenuifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8650.1 Perilla frutescens var. arguta Varieties Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO1903 Cyperus haspan Species Cyperaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14951 Zanthoxylum acanthopodium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO5692 Trachyspermum ammi Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO20874 Tanacetum vulgare Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO28183 Cymbopogon flexuosus Species Poaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9138 Syzygium cumini Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO42012 Rosmarinus officinalis Species Lamiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO7247 Cymbopogon citratus Species Poaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8789 Schizonepeta tenuifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8650.1 Perilla frutescens var. arguta Varieties Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28183 Cymbopogon flexuosus Species Poaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14951 Zanthoxylum acanthopodium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9138 Syzygium cumini Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3527 Lavandula angustifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO20874 Tanacetum vulgare Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23289 Heracleum sphondylium Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5692 Trachyspermum ammi Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7247 Cymbopogon citratus Species Poaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4711 Goniothalamus thwaitesii Species Annonaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO1903 Cyperus haspan Species Cyperaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8789 Schizonepeta tenuifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO19472 Thymus vulgaris Species Lamiaceae 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]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO1903 Cyperus haspan Species Cyperaceae 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]
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota n.a. n.a. n.a. Database[Title]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO19472 Thymus vulgaris Species Lamiaceae 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]
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO1880 Schizonepeta tenuisfolia Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO8789 Schizonepeta tenuifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO4711 Goniothalamus thwaitesii Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18735 Pinus mugo Species Pinaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20874 Tanacetum vulgare Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11882 Cedrus libani Species Pinaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1903 Cyperus haspan Species Cyperaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16758 Satureja cuneifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11680 Strychnos brachiata Species Loganiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17388 Schefferomitra subaequalis n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO979 Salvinia imbricata Species Salviniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18680 Larix decidua Species Pinaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28942 Tetraclinis articulata Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6605 Neodiprion sertifer Species Diprionidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23289 Heracleum sphondylium Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9138 Syzygium cumini Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13331 Solidago canadensis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7317 Citrus aurantium Species Rutaceae 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]
NPO2592 Dactylosporangium salmoneum Species Micromonosporaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8650.1 Perilla frutescens var. arguta Varieties Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14951 Zanthoxylum acanthopodium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO51 Petalonia fascia Species Scytosiphonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28183 Cymbopogon flexuosus Species Poaceae 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]
NPO27584 Xylopia frutescens Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5646 Phoma violacea Species Didymellaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21821 Aeschynomene indica Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7657 Plectranthus ornatus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4513 Commiphora africana Species Burseraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7247 Cymbopogon citratus Species Poaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3527 Lavandula angustifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9773 Sideritis raeseri Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO163 Daucus carota Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8789 Schizonepeta tenuifolia Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12935 Thymus quinquecostatus Species Lamiaceae 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
NPO11882 Cedrus libani Oil n.a. 0.5±0.0 n.a. n.a. % PMID[32092041]
NPO11882 Cedrus libani Oil n.a. 0.7±0.2 n.a. n.a. % PMID[32092041]
NPO11882 Cedrus libani Oil n.a. 0.3±0.1 n.a. n.a. % PMID[32092041]
NPO11882 Cedrus libani Oil n.a. 0.2±0.0 n.a. n.a. % PMID[32092041]
NPO12498 Carpesium cernuum Oil n.a. 0.1 n.a. n.a. % PMID[33810440]
NPO13182 Achillea wilhelmsii Oil n.a. 1.1 n.a. n.a. % PMID[39349567]
NPO13331 Solidago canadensis Oil Roots 0.1 ± 0.01 n.a. n.a. % PMID[37050047]
NPO13331 Solidago canadensis Oil Leaves 2.7 ± 0.20 n.a. n.a. % PMID[37050047]
NPO13331 Solidago canadensis Oil Flowers 0.4 ± 0.23 n.a. n.a. % PMID[37050047]
NPO14951 Zanthoxylum acanthopodium Oil Leaves 0.7 n.a. n.a. % PMID[37471031]
NPO14951 Zanthoxylum acanthopodium Oil Stems 0.4 n.a. n.a. % PMID[37471031]
NPO15137 Sideritis scardica Oil n.a. 1.29 n.a. n.a. % PMID[37509192]
NPO16758 Satureja cuneifolia Oil Seeds 0.22 n.a. n.a. % PMID[36031812]
NPO18680 Larix decidua Oil n.a. 0.29 ± 0.08 n.a. n.a. % PMID[38259911]
NPO18680 Larix decidua Oil n.a. 0.22 ± 0.05 n.a. n.a. % PMID[38259911]
NPO18680 Larix decidua Oil n.a. 0.35 ± 0.15 n.a. n.a. % PMID[38259911]
NPO18680 Larix decidua Oil n.a. 0.47 ± 0.11 n.a. n.a. % PMID[38259911]
NPO18680 Larix decidua Oil n.a. 0.35 ± 0.13 n.a. n.a. % PMID[38259911]
NPO18680 Larix decidua Oil n.a. 0.38 ± 0.01 n.a. n.a. % PMID[38259911]
NPO18680 Larix decidua Oil n.a. 0.09 ± 0.04 n.a. n.a. % PMID[38259911]
NPO18680 Larix decidua Oil n.a. 0.23 ± 0.05 n.a. n.a. % PMID[38259911]
NPO18680 Larix decidua Oil n.a. 0.25 ± 0.03 n.a. n.a. % PMID[38259911]
NPO18735 Pinus mugo Oil n.a. 0.1 n.a. n.a. % PMID[31475763]
NPO18735 Pinus mugo Oil n.a. 0.4 n.a. n.a. % PMID[31475763]
NPO20874 Tanacetum vulgare Oil n.a. 10.85 n.a. n.a. % PMID[37630407]
NPO21821 Aeschynomene indica Oil Leaves 0.9 n.a. n.a. % PMID[39124959]
NPO23289 Heracleum sphondylium Oil n.a. 0.1 n.a. n.a. % PMID[37533365]
NPO27584 Xylopia frutescens Oil n.a. 0.41 n.a. n.a. % PMID[36985605]
NPO28183 Cymbopogon flexuosus Oil n.a. 0.8 n.a. n.a. % PMID[34946632]
NPO28942 Tetraclinis articulata Oil n.a. 0.2 n.a. n.a. % PMID[33669825]
NPO28942 Tetraclinis articulata Oil n.a. 0.1 n.a. n.a. % PMID[33669825]
NPO29110 Litsea cubeba Oil n.a. 0.03 n.a. n.a. % PMID[37746728]
NPO33477 Crithmum maritimum Oil Leaves 0.09 ± 0.05 n.a. n.a. % PMID[38681233]
NPO3527 Lavandula angustifolia Oil n.a. 0.2 n.a. n.a. % PMID[36773055]
NPO42012 Rosmarinus officinalis Oil n.a. 0.6 n.a. n.a. % PMID[38474654]
NPO42201 Artemisia herba-alba asso. Oil n.a. 0 n.a. n.a. % PMID[39717220]
NPO42201 Artemisia herba-alba asso. Oil n.a. 0.76 n.a. n.a. % PMID[39717220]
NPO42263 Ferulago glareosa Oil Aerial parts 0.4 n.a. n.a. % PMID[37070659]
NPO42911 Vitex pseudo-negundo Oil Flowers 0.04 n.a. n.a. % PMID[37822892]
NPO42911 Vitex pseudo-negundo Oil Leaves 0.05 n.a. n.a. % PMID[37822892]
NPO4513 Commiphora africana Oil n.a. 0.7 n.a. n.a. % PMID[37653941]
NPO4513 Commiphora africana Oil n.a. 0.6 n.a. n.a. % PMID[37653941]
NPO46518 Salvia verticillata Oil n.a. 0.4 n.a. n.a. % PMID[38611827]
NPO46518 Salvia verticillata Oil n.a. 0.1 n.a. n.a. % PMID[38611827]
NPO47068 Satureja metastasiantha Oil n.a. 0.1 n.a. n.a. % PMID[32755101]
NPO47133 Stachys pilifera Oil n.a. 0.2 n.a. n.a. % PMID[33970244]
NPO47856 Ansellia africana n.a. n.a. 0.37 n.a. n.a. % PMID[31140321]
NPO47856 Ansellia africana n.a. n.a. 1.46 n.a. n.a. % PMID[31140321]
NPO54134 Croton linearis Oil Stems 0.14 n.a. n.a. % PMID[36551370]
NPO56095 Hedyosmum purpurascens Oil n.a. 0.91 ± 0.02 n.a. n.a. % PMID[36903611]
NPO56095 Hedyosmum purpurascens Oil n.a. 0.56 ± 0.02 n.a. n.a. % PMID[36903611]
NPO56463 Grindelia squarrosa Oil n.a. 0.5 n.a. n.a. % PMID[37175263]
NPO56717 Thymus atticus Oil n.a. 0.1 n.a. n.a. % PMID[34405529]
NPO5692 Trachyspermum ammi Oil n.a. 1.85 ± 0.04 n.a. n.a. % PMID[39064843]
NPO57072 Prangos trifida Oil Stems 0.8 n.a. n.a. % PMID[38247600]
NPO57207 Thymus fontanesii Oil n.a. 0.01 n.a. n.a. % PMID[38199324]
NPO58153 Ochradenus arabicus Oil n.a. 0.14 ± 0.01 n.a. n.a. % PMID[36616238]
NPO58153 Ochradenus arabicus Oil n.a. 0.11 ± 0.01 n.a. n.a. % PMID[36616238]
NPO59027 Pulicaria burchardii Oil n.a. 0.06 n.a. n.a. % PMID[39795328]
NPO59701 Lavandula angustifolia Mill. × Lavandula latifolia Medik. Oil n.a. 0.68 n.a. n.a. % PMID[34577110]
NPO59701 Lavandula angustifolia Mill. × Lavandula latifolia Medik. Oil n.a. 0.15 n.a. n.a. % PMID[34577110]
NPO59701 Lavandula angustifolia Mill. × Lavandula latifolia Medik. Oil n.a. 0.44 n.a. n.a. % PMID[34577110]
NPO59923 Myriactis nepalensis Oil n.a. 0.1 n.a. n.a. % PMID[35889501]
NPO60061 Boswellia rivae Oil n.a. 0.1 n.a. n.a. % PMID[37653941]
NPO60061 Boswellia rivae Oil n.a. 0.3 n.a. n.a. % PMID[37653941]
NPO60061 Boswellia rivae Oil n.a. 0.7 n.a. n.a. % PMID[37653941]
NPO60061 Boswellia rivae Oil n.a. 0.4 n.a. n.a. % PMID[37653941]
NPO60907 Thymus Willdenowii Oil n.a. 3.3 n.a. n.a. % PMID[30990332]
NPO62240 Artemisia huguetii caball. Oil n.a. 0 n.a. n.a. % PMID[39717220]
NPO63000 Lavandula luisieri Oil n.a. 0–1.2 n.a. n.a. % PMID[36773055]
NPO7247 Cymbopogon citratus Oil n.a. 0.7 n.a. n.a. % PMID[34946632]
NPO7247 Cymbopogon citratus Oil n.a. 0.6 n.a. n.a. % PMID[34946632]
NPO7657 Plectranthus ornatus Oil n.a. 8.91 n.a. n.a. % PMID[37226591]
NPO843 Meriandra dianthera Oil n.a. 0.1 ± 0.0 n.a. n.a. % PMID[31336582]
NPO9138 Syzygium cumini Oil Bark 0.27 n.a. n.a. % PMID[38067590]
NPO9138 Syzygium cumini Oil Leaves 0.75 n.a. n.a. % PMID[38067590]
NPO9773 Sideritis raeseri Oil n.a. 1.52 n.a. n.a. % PMID[37509192]
NPO9773 Sideritis raeseri Oil n.a. 0.12 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

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
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 NPC154650 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.5 or Top200).

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 NPC154650 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
NPD

Bioactivity similarity

  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