Natural Product: NPC58957

Natural Product IDNPC58957
Common Name
?
The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
 (E)-Hex-2-En-1-Ol
IUPAC Name (E)-hex-2-en-1-ol
Synonyms
Synthetic Gene Cluster n.a.
ChEMBL Identifier CHEMBL2228463
PubChem CID 5318042
Chemical Classification
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000012] Lipids and lipid-like molecules
      • [CHEMONTID:0003909] Fatty Acyls
        • [CHEMONTID:0001334] Fatty alcohols

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 ZCHHRLHTBGRGOT-SNAWJCMRSA-N
Standard InCHI InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+
SMILES CCC/C=C/CO

  Calculated Properties

Physi-Chem Properties

Molecular Weight:   100.09 Volume:   118.486
?
Van der Waals volume.
Dense:   0.845 LogP:   1.863
?
The logarithm of the n-octanol/water distribution coefficients.
logD7.4:   1.768
?
The logarithm of the n-octanol/water distribution coefficient at pH=7.4.
 LogS:   -1.106
?
The logarithm of aqueous solubility value.
Rotatable Bonds:   3.0 Rigid Bonds:   1.0
TPSA:   20.23
?
Topological Polar Surface Area.
 H-Bond Acceptor:   1.0
H-Bond Donor:   1.0 Rings:   0.0
Heavy Atoms:   1.0

MedChem Properties

QED Drug-Likeness Score:   0.53 GASA:   0.0
?
GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:   2.623 Fsp3:   0.667
MCE-18:   0.0
?
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:   0.017 Fluc inhibitor:   0.0
?
The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:   0.001
?
The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1
 Green fluorescence:   0.002
?
The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:   1.0 Promiscuous compounds:   0.102

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:   -4.589 MDCK Permeability:   -4.693
Pgp-inhibitor:   0.31 Pgp-substrate:   0.005
PAMPA:   0.082
?
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):   0.833
20% Bioavailability (F20%):   0.899 30% Bioavailability (F30%):   0.987
50% Bioavailability (F50%):   0.946

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):   0.0 MRP1:   0.01
Plasma Protein Binding (PPB):   74.876% Volume Distribution (VD):   -0.287
Fu: 25.433%
?
The fraction unbound in plasms.
 OATP1B1 inhibitor:   0.995
OATP1B3 inhibitor:   0.997 BCRP inhibitor:   0.141
BSEP inhibitor:   0.815

ADMET: Metabolism

CYP1A2-inhibitor:   0.001 CYP1A2-substrate:   0.001
CYP2C19-inhibitor:   0.047 CYP2C19-substrate:   0.004
CYP2C9-inhibitor:   0.602 CYP2C9-substrate:   0.024
CYP2D6-inhibitor:   0.285 CYP2D6-substrate:   0.191
CYP3A4-inhibitor:   0.002 CYP3A4-substrate:   0.002
CYP2B6-substrate:   0.0 CYP2C8-inhibitor:   0.139
HLM stability:   0.6
?
Human liver microsomal (HLM) stability. Category 0: stable+ (HLM > 30 min); Category 1: unstable- (HLM ≤ 30 min). The output value is the probability of human liver microsomal instability, where a value closer to 1 indicates a higher likelihood of instability.

ADMET: Excretion

Clearance (CL):  9.409 Half-life (T1/2):  1.589

ADMET: Toxicity

hERG Blockers:  0.081 hERG Blockers (10um):  0.338
Human Hepatotoxicity (H-HT):  0.878 Drug-induced Liver Injury (DILI):  0.449
AMES Toxicity:  0.215 Rat Oral Acute Toxicity:  0.05
Maximum Recommended Daily Dose:  0.14 Skin Sensitization:  0.986
Carcinogencity:  0.398 Eye Corrosion:  0.87
Eye Irritation:  0.998 Respiratory Toxicity:  0.839
Drug-induced Neurotoxicity:  0.413 Ototoxicity:  0.22
Hematotoxicity:  0.191 Drug-induced Nephrotoxicity:  0.112
Genotoxicity:  0.087 RPMI-8226 Immunitoxicity:  0.074
A549 Cytotoxicity:  0.19 Hek293 Cytotoxicity:  0.098
BCF:   0.34
?
Bioconcentration factors are used for considering secondary poisoning potential and assessing risks to human health via the food chain. The unit is -log10[(mg/L)/(1000*MW)].
 IGC50:   2.507
?
48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:   3.973
?
48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].
 LC50FM:   3.451
?
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
NPO8258 Camellia sinensis Species Theaceae Eukaryota n.a. n.a. n.a. PMID[ 16712885]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.ecoenv.2016.07.029]
NPO8258 Camellia sinensis Species Theaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.foodchem.2013.08.121]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.indcrop.2020.112278]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.jep.2005.01.054]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota Fruit n.a. n.a. DOI[10.1016/S0963-9969(99)00095-2]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota Fruit n.a. n.a. DOI[10.1016/S0963-9969(99)00095-2]
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota n.a. leaf n.a. DOI[10.1021/np50070a005]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota Leaves (mother plant) Suwon, Korea 2011-Sep DOI[10.7235/HORT.2013.12200]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota Roots (runner plant) Suwon, Korea 2011-Sep DOI[10.7235/HORT.2013.12200]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota Fruits Suwon, Korea 2012-Nov DOI[10.7235/HORT.2013.12200]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota Leaves Suwon, Korea DOI[10.7235/HORT.2013.12200]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota Runners Suwon, Korea 2011-Sep DOI[10.7235/HORT.2013.12200]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota Leaves (runner plant) Suwon, Korea 2011-Sep DOI[10.7235/HORT.2013.12200]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota Roots (mother plant) Suwon, Korea 2011-Sep DOI[10.7235/HORT.2013.12200]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. callus n.a. PMID[10552648]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. fruit n.a. PMID[10606547]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. kernel n.a. PMID[10670815]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. fruit n.a. PMID[12802735]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota n.a. n.a. n.a. PMID[1453178]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota Fruits n.a. n.a. PMID[15568772]
NPO6978 Boronella koniambiensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[16038554]
NPO8258 Camellia sinensis Species Theaceae Eukaryota Flowers n.a. n.a. PMID[16180814]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota n.a. fruit n.a. PMID[16417304]
NPO8258 Camellia sinensis Species Theaceae Eukaryota seeds Shizuoka prefecture, Japan n.a. PMID[16499314]
NPO651 Aconitum vilmorinianum Species Ranunculaceae Eukaryota n.a. root n.a. PMID[17226159]
NPO13952 Streptomyces lavendulae Species Streptomycetaceae Bacteria n.a. n.a. n.a. PMID[17237222]
NPO25094 Artemisia princeps Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[17996677]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Fruits Malatya Fruit Research Institute between the first and third weeks of 2005-Jul. PMID[18038980]
NPO4083 Brevibacillus laterosporus Species Paenibacillaceae Bacteria n.a. n.a. n.a. PMID[18044840]
NPO8258 Camellia sinensis Species Theaceae Eukaryota n.a. n.a. n.a. PMID[18068204]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. leaf n.a. PMID[18214349]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. fruit n.a. PMID[18384095]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. aerial part n.a. PMID[18991207]
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota leaves Botanical Garden of Innsbruck, Austria n.a. PMID[20100662]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota essential oil Tibet n.a. PMID[20944522]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. seed n.a. PMID[21049975]
NPO15884 Dodonaea polyandra Species Sapindaceae Eukaryota n.a. leaf n.a. PMID[21381684]
NPO15884 Dodonaea polyandra Species Sapindaceae Eukaryota n.a. n.a. n.a. PMID[21381684]
NPO15884 Dodonaea polyandra Species Sapindaceae Eukaryota n.a. stem n.a. PMID[21381684]
NPO8258 Camellia sinensis Species Theaceae Eukaryota n.a. n.a. n.a. PMID[21434603]
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota n.a. leaf n.a. PMID[21443171]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[21574561]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota n.a. fruit n.a. PMID[21648406]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21800857]
NPO8258 Camellia sinensis Species Theaceae Eukaryota n.a. flower n.a. PMID[21922925]
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota n.a. leaf n.a. PMID[21923134]
NPO8258 Camellia sinensis Species Theaceae Eukaryota flower buds n.a. n.a. PMID[21925888]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. leaf n.a. PMID[22014120]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. fruit n.a. PMID[22014120]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. leaf n.a. PMID[22014168]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[22060189]
NPO13952 Streptomyces lavendulae Species Streptomycetaceae Bacteria n.a. n.a. n.a. PMID[22187429]
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota leaves n.a. n.a. PMID[22272932]
NPO8258 Camellia sinensis Species Theaceae Eukaryota leaves n.a. n.a. PMID[22377672]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[22537213]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota n.a. flower n.a. PMID[22723874]
NPO8258 Camellia sinensis Species Theaceae Eukaryota n.a. leaf n.a. PMID[23265489]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[23371463]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. n.a. n.a. PMID[23540838]
NPO8258 Camellia sinensis Species Theaceae Eukaryota Leaves Bandung, West Java, Indonesia PMID[23621359]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[23747095]
NPO651 Aconitum vilmorinianum Species Ranunculaceae Eukaryota n.a. n.a. n.a. PMID[23784883]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota n.a. n.a. n.a. PMID[24014097]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota n.a. n.a. n.a. PMID[24128451]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. n.a. n.a. PMID[24295708]
NPO15884 Dodonaea polyandra Species Sapindaceae Eukaryota n.a. n.a. n.a. PMID[24400858]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota Flowers Lasa, China n.a. PMID[24621197]
NPO10219 Juniperus communis Species Cupressaceae Eukaryota n.a. n.a. n.a. PMID[24913660]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. leaf n.a. PMID[25102361]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. fruit n.a. PMID[25306330]
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[25320841]
NPO10899 Ophioparma ventosa Species Ophioparmaceae Eukaryota n.a. n.a. n.a. PMID[26934105]
NPO7718 Peucedanum palustre Species Apiaceae Eukaryota n.a. root n.a. PMID[27133212]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[27748595]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota Twigs n.a. n.a. PMID[28541690]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[29192771]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[30792999]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[31181920]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[31418264]
NPO63526 Dizygostemon riparius Species Plantaginaceae Eukaryota n.a. n.a. n.a. PMID[32924270]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[33937995]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[34771092]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[35143705]
NPO10219 Juniperus communis Species Cupressaceae Eukaryota n.a. n.a. n.a. PMID[35481430]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. n.a. n.a. PMID[35986990]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[36080366]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[36270431]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[36359928]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. PMID[36552598]
NPO52082 Polygonum arenarium Species Polygonaceae Eukaryota n.a. n.a. n.a. PMID[36558187]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. n.a. n.a. PMID[36770740]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota n.a. n.a. n.a. PMID[36838852]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[36840093]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[36840093]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. n.a. n.a. PMID[36985747]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[37049761]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. n.a. n.a. PMID[37087263]
NPO57639 Cuscuta campestris Species Convolvulaceae Eukaryota n.a. n.a. n.a. PMID[37183783]
NPO10219 Juniperus communis Species Cupressaceae Eukaryota n.a. n.a. n.a. PMID[37241749]
NPO47617 Echinops polyceras Genus Asteraceae Eukaryota n.a. n.a. n.a. PMID[37241978]
NPO8258 Camellia sinensis Species Theaceae Eukaryota n.a. n.a. n.a. PMID[37255739]
NPO10219 Juniperus communis Species Cupressaceae Eukaryota n.a. n.a. n.a. PMID[37298924]
NPO63526 Dizygostemon riparius Species Plantaginaceae Eukaryota n.a. n.a. n.a. PMID[37459186]
NPO54997 Onobrychis carduchorum Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[37631224]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. PMID[37746728]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[37898811]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. n.a. n.a. PMID[37924762]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[38159180]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[38267697]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. n.a. n.a. PMID[38306771]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. n.a. n.a. PMID[38474614]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[38719900]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[38744893]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[38754641]
NPO59831 Verbascum creticum Species Scrophulariaceae Eukaryota n.a. n.a. n.a. PMID[38988304]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. PMID[39013008]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. PMID[39395223]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[39592251]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[39732883]
NPO14111 Maytenus serrata Species Celastraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8258 Camellia sinensis Species Theaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10492 Artemisia montana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25094 Artemisia princeps Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16307 Murraya kwangsiensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7792 Coreopsis grandiflora Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26429 Capsella bursa-pastoris Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15434 Rhodomicrobium vannielii Species Hyphomicrobiaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO13952 Streptomyces lavendulae Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO5482 Gymnanthemum amygdalinum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13740 Aconitum kamtschaticum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO651 Aconitum vilmorinianum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16109 Actinidia kolomikta Species Actinidiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15679 Amyris marshii Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO6978 Boronella koniambiensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12470 Brachyspira hyodysenteriae Species Brachyspiraceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO4083 Brevibacillus laterosporus Species Paenibacillaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO7077 Canarium strictum Species Burseraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15312 Coelogorgia palmosa Species Coelogorgiidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14604 Dipteronia dyeriana Species Aceraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15884 Dodonaea polyandra Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9386 Ectropis bicolor Species Geometridae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13427 Erinaceus europaeus Species Erinaceidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14914 Esox saurus Species Esocidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11962 Garcinia macrophylla Species Clusiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14442 Gouania microcarpa Species Gobiesocidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13582 Leucopaxillus giganteus Species Tricholomataceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13273 Maytenus loeseneri Species Celastraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5750 Monomorium floricola Species Formicidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10452 Odontites rubra Species Orobanchaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3697 Ongokea klaineana Species Aptandraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10899 Ophioparma ventosa Species Ophioparmaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2607 Ophiorrhiza blumeana Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7718 Peucedanum palustre Species Apiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16625 Phalaenopsis aphrodite Species Orchidaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8671 Physalis solanaceus Species Solanaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15570 Plectranthus mollis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15159 Podocarpus salignus Species Podocarpaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11644 Prosopis ruscifolia Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15178 Psychotria bahiensis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16311 Rusavskia elegans Species Teloschistaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11376 Schistostephium rotundifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1723 Sideritis syriaca Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12457 Siphocampylus verticillatus Species Campanulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22056.1 Streptomyces fervens Subspecies Streptomycetaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO12951 Talaromyces coalescens Species Trichocomaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14747 Usnea florida Species Parmeliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22053 Vepris pilosa Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16541 Veratrum stenophyllum Species Melanthiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12547 Viburnum chingii Species Adoxaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26256 Zanthoxylum chiriquinum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3392 Agastache rugosus 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]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota n.a. n.a. Database[FooDB]
NPO8258 Camellia sinensis Species Theaceae Eukaryota n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. Database[FooDB]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota n.a. n.a. Database[FooDB]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Bark n.a. n.a. Database[FooDB]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota Bud n.a. n.a. Database[FooDB]
NPO8258 Camellia sinensis Species Theaceae Eukaryota Cotyledon n.a. n.a. Database[FooDB]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota Flower n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Flower n.a. n.a. Database[FooDB]
NPO28608 Olea europaea Species Oleaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Fruit Juice n.a. n.a. Database[FooDB]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota Fruit Juice n.a. n.a. Database[FooDB]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota Fruit Juice n.a. n.a. Database[FooDB]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO8258 Camellia sinensis Species Theaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO8258 Camellia sinensis Species Theaceae Eukaryota Leaf Essent. Oil n.a. n.a. Database[FooDB]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota Oil n.a. n.a. Database[FooDB]
NPO28608 Olea europaea Species Oleaceae Eukaryota Oil n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Pericarp n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO8258 Camellia sinensis Species Theaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Root Bark n.a. n.a. Database[FooDB]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO8258 Camellia sinensis Species Theaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO8258 Camellia sinensis Species Theaceae Eukaryota Seed Oil n.a. n.a. Database[FooDB]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO8258 Camellia sinensis Species Theaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Shoot Essent. Oil n.a. n.a. Database[FooDB]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota Sprout Seedling n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Sprout Seedling n.a. n.a. Database[FooDB]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO8258 Camellia sinensis Species Theaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota n.a. n.a. Database[FooDB]
NPO10219 Juniperus communis Species Cupressaceae Eukaryota n.a. n.a. Database[FooDB]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota Fruits n.a. Database[FooDB]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Fruits n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota Fruits n.a. Database[FooDB]
NPO8258 Camellia sinensis Species Theaceae Eukaryota n.a. n.a. Database[FooDB]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO3392 Agastache rugosus 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]
NPO8258 Camellia sinensis Species Theaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26429 Capsella bursa-pastoris Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16307 Murraya kwangsiensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25094 Artemisia princeps Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO10219 Juniperus communis Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7718 Peucedanum palustre Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14111 Maytenus serrata Species Celastraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8258 Camellia sinensis Species Theaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3392 Agastache rugosus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26429 Capsella bursa-pastoris Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5482 Gymnanthemum amygdalinum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16307 Murraya kwangsiensis 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]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO10219 Juniperus communis Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7718 Peucedanum palustre Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14111 Maytenus serrata Species Celastraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25094 Artemisia princeps Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8258 Camellia sinensis Species Theaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO10219 Juniperus communis Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO26429 Capsella bursa-pastoris Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO28608 Olea europaea Species Oleaceae 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]
NPO13427 Erinaceus europaeus Species Erinaceidae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO14111 Maytenus serrata Species Celastraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO7718 Peucedanum palustre Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO16307 Murraya kwangsiensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO25094 Artemisia princeps Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO8650 Perilla frutescens Species Lamiaceae 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]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO10492 Artemisia montana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO18311 Carthamus tinctorius 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]
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO13740 Aconitum kamtschaticum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15679 Amyris marshii Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15570 Plectranthus mollis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16625 Phalaenopsis aphrodite Species Orchidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16541 Veratrum stenophyllum Species Melanthiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13952 Streptomyces lavendulae Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO4083 Brevibacillus laterosporus Species Paenibacillaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO28608 Olea europaea Species Oleaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16311 Rusavskia elegans Species Teloschistaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12470 Brachyspira hyodysenteriae Species Brachyspiraceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO15434 Rhodomicrobium vannielii Species Hyphomicrobiaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15159 Podocarpus salignus Species Podocarpaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7718 Peucedanum palustre Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO651 Aconitum vilmorinianum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12547 Viburnum chingii Species Adoxaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13582 Leucopaxillus giganteus Species Tricholomataceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12951 Talaromyces coalescens Species Trichocomaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11644 Prosopis ruscifolia Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13427 Erinaceus europaeus Species Erinaceidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12457 Siphocampylus verticillatus Species Campanulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8258 Camellia sinensis Species Theaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13273 Maytenus loeseneri Species Celastraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15884 Dodonaea polyandra Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9386 Ectropis bicolor Species Geometridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10452 Odontites rubra Species Orobanchaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8671 Physalis solanaceus Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6978 Boronella koniambiensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16109 Actinidia kolomikta Species Actinidiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10899 Ophioparma ventosa Species Ophioparmaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22056.1 Streptomyces fervens Subspecies Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14604 Dipteronia dyeriana Species Aceraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2607 Ophiorrhiza blumeana Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3697 Ongokea klaineana Species Aptandraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25094 Artemisia princeps Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14747 Usnea florida Species Parmeliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22053 Vepris pilosa Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7077 Canarium strictum Species Burseraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7792 Coreopsis grandiflora Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11376 Schistostephium rotundifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10492 Artemisia montana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14111 Maytenus serrata Species Celastraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14914 Esox saurus Species Esocidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1723 Sideritis syriaca Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26256 Zanthoxylum chiriquinum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5750 Monomorium floricola Species Formicidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5482 Gymnanthemum amygdalinum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28276 Artemisia argyi Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10339 Fragaria x ananassa Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15312 Coelogorgia palmosa Species Coelogorgiidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15178 Psychotria bahiensis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11962 Garcinia macrophylla Species Clusiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29110 Litsea cubeba Species Lauraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16307 Murraya kwangsiensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14442 Gouania microcarpa Species Gobiesocidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7576 Brassica oleracea Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26429 Capsella bursa-pastoris Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7156 Vaccinium myrtillus Species Ericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10219 Juniperus communis Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3347 Vaccinium corymbosum Species Ericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25618 Eriobotrya japonica Species Rosaceae 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. 0.219 ± 0.02 n.a. n.a. % PMID[37241749]
NPO10339 Fragaria x ananassa n.a. Fruits 0.113 n.a. n.a. mg/m3 of FW DOI[10.7235/HORT.2013.12200]
NPO18311 Carthamus tinctorius Other Leaf 0.073 0.073 0.073 mg/100g Database [DUKE]
NPO18311 Carthamus tinctorius Other Bud 0.022 0.022 0.022 mg/100g Database [DUKE]
NPO19787 Citrus sinensis Raw Fruit Juice 0.005 0 0.01 mg/100g Database [DUKE]
NPO20414 Ocimum basilicum n.a. Leaves 5.49 ± 0.21 n.a. n.a. µg/g PMID[39592251]
NPO28608 Olea europaea Oil n.a. 40.48 n.a. n.a. µg/100 g PMID[37087263]
NPO28608 Olea europaea Oil n.a. <0.001 n.a. n.a. µg/100 g PMID[37087263]
NPO28608 Olea europaea Oil n.a. 5.51 n.a. n.a. µg/100 g PMID[37087263]
NPO28608 Olea europaea Oil n.a. 4.07 n.a. n.a. µg/100 g PMID[37087263]
NPO28608 Olea europaea Oil n.a. 4.19 n.a. n.a. µg/100 g PMID[37087263]
NPO28608 Olea europaea Oil n.a. 5.46 n.a. n.a. µg/100 g PMID[37087263]
NPO28608 Olea europaea Oil n.a. 4.60 n.a. n.a. µg/100 g PMID[37087263]
NPO28608 Olea europaea Oil n.a. 12.94 n.a. n.a. µg/100 g PMID[37087263]
NPO28608 Olea europaea Oil n.a. 25.82 n.a. n.a. µg/100 g PMID[37087263]
NPO28608 Olea europaea Oil n.a. 5.87 n.a. n.a. µg/100 g PMID[37087263]
NPO28608 Olea europaea Oil n.a. 36.96 n.a. n.a. µg/100 g PMID[37087263]
NPO28608 Olea europaea Oil n.a. 21.60 n.a. n.a. µg/100 g PMID[37087263]
NPO29110 Litsea cubeba Oil Barks 0.05 n.a. n.a. % PMID[39013008]
NPO3347 Vaccinium corymbosum Raw Fruit Juice 0.026 0.002 0.05 mg/100g Database [DUKE]
NPO47617 Echinops polyceras Hydro distillation Inflorescences 0.96 n.a. n.a. % PMID[37241978]
NPO47617 Echinops polyceras Hydro distillation Inflorescences 0.15 n.a. n.a. % PMID[37241978]
NPO47617 Echinops polyceras Hydro distillation Inflorescences 0.08 n.a. n.a. % PMID[37241978]
NPO52082 Polygonum arenarium Oil n.a. 0.98 n.a. n.a. % PMID[36558187]
NPO54997 Onobrychis carduchorum Oil Roots 0.05 ± 0.01 n.a. n.a. % PMID[37631224]
NPO57639 Cuscuta campestris Oil Stems 0.08±0.01 n.a. n.a. % PMID[37183783]
NPO5954 Petroselinum crispum Raw Leaf 0.02 0.02 0.02 mg/100g Database [DUKE]
NPO59831 Verbascum creticum Oil n.a. 1.0 n.a. n.a. % PMID[38988304]
NPO63526 Dizygostemon riparius Oil n.a. 0.1 n.a. n.a. % PMID[37459186]
NPO7156 Vaccinium myrtillus Raw Fruit Juice 0.001 0.001 0.001 mg/100g Database [DUKE]
NPO7576 Brassica oleracea Other Stem 0.008 0.008 0.008 mg/100g Database [DUKE]
NPO8258 Camellia sinensis Tea Or Coffee Shoot 50 40 60 mg/100g Database [DUKE]

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
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium GI = 29.1 % PMID[14969531]
NPT563 Organism Escherichia coli O157:H7 Escherichia coli O157:H7 GI = 31.8 % PMID[14969531]
NPT564 Organism Listeria monocytogenes Listeria monocytogenes GI = 19.2 % PMID[14969531]
NPT565 Organism Vibrio parahaemolyticus Vibrio parahaemolyticus GI = 38.6 % PMID[14969531]
NPT16 Organism Staphylococcus aureus Staphylococcus aureus GI = 29.5 % PMID[14969531]
NPT2 Others Unspecified n.a. Potency n.a. 8.7 nM PubChem BioAssay data set
NPT2241 Organism Glomerella acutata Glomerella acutata ID95 = 253.78 uL/L PMID[17567029]
NPT314 Organism Bacillus cereus Bacillus cereus GI = 52.5 % PMID[14969531]
NPT2241 Organism Glomerella acutata Glomerella acutata ID50 = 151.76 uL/L PMID[17567029]

In vivo activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT593 Organism Bursaphelenchus xylophilus Bursaphelenchus xylophilus mortality = 13.0 % PMID[20055406]





 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 = 3500.0 mg/kg ToxVal
- Oryctolagus cuniculus LD50 = 4500.0 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
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 NPC58957 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
0.5882 Remote Similarity NPC250734
0.5417 Remote Similarity NPC15934

Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC58957 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