Natural Product: NPC160951

Natural Product IDNPC160951
Common Name
?
The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
Eupatorin
IUPAC Name 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
Synonyms Eupatorin
Synthetic Gene Cluster n.a.
ChEMBL Identifier CHEMBL487402
PubChem CID 97214
Chemical Classification
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000261] Phenylpropanoids and polyketides
      • [CHEMONTID:0000334] Flavonoids
        • [CHEMONTID:0002585] O-methylated flavonoids
          • [CHEMONTID:0002592] 7-O-methylated flavonoids

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 KLAOKWJLUQKWIF-UHFFFAOYSA-N
Standard InCHI InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3
SMILES COc1ccc(cc1O)c1cc(=O)c2c(cc(c(c2O)OC)OC)o1

  Calculated Properties

Physi-Chem Properties

Molecular Weight:   344.09 Volume:   334.655
?
Van der Waals volume.
Dense:   1.028 LogP:   2.465
?
The logarithm of the n-octanol/water distribution coefficients.
logD7.4:   2.372
?
The logarithm of the n-octanol/water distribution coefficient at pH=7.4.
LogS:   -4.244
?
The logarithm of aqueous solubility value.
Rotatable Bonds:   4.0 Rigid Bonds:   18.0
TPSA:   98.36
?
Topological Polar Surface Area.
H-Bond Acceptor:   7.0
H-Bond Donor:   2.0 Rings:   3.0
Heavy Atoms:   7.0

MedChem Properties

QED Drug-Likeness Score:   0.751 GASA:   0.0
?
GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:   2.372 Fsp3:   0.167
MCE-18:   19.0
?
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:   Rejected BMS Rule:   0
Chelating Alert:   1 PAINS Alert:   0
Colloidal aggregators:   0.319 Fluc inhibitor:   0.828
?
The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:   0.891
?
The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1
Green fluorescence:   0.711
?
The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:   0.366 Promiscuous compounds:   0.631

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:   -5.169 MDCK Permeability:   -4.771
Pgp-inhibitor:   0.842 Pgp-substrate:   0.253
PAMPA:   0.067
?
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):   0.122
20% Bioavailability (F20%):   0.255 30% Bioavailability (F30%):   0.461
50% Bioavailability (F50%):   0.978

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):   0.008 MRP1:   0.938
Plasma Protein Binding (PPB):   97.083% Volume Distribution (VD):   -0.585
Fu: 2.871%
?
The fraction unbound in plasms.
OATP1B1 inhibitor:   0.99
OATP1B3 inhibitor:   0.999 BCRP inhibitor:   0.976
BSEP inhibitor:   0.894

ADMET: Metabolism

CYP1A2-inhibitor:   0.426 CYP1A2-substrate:   0.568
CYP2C19-inhibitor:   0.016 CYP2C19-substrate:   0.023
CYP2C9-inhibitor:   0.978 CYP2C9-substrate:   0.004
CYP2D6-inhibitor:   0.984 CYP2D6-substrate:   0.488
CYP3A4-inhibitor:   0.568 CYP3A4-substrate:   0.007
CYP2B6-substrate:   0.0 CYP2C8-inhibitor:   0.99
HLM stability:   0.704
?
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):  3.352 Half-life (T1/2):  1.582

ADMET: Toxicity

hERG Blockers:  0.089 hERG Blockers (10um):  0.479
Human Hepatotoxicity (H-HT):  0.427 Drug-induced Liver Injury (DILI):  0.707
AMES Toxicity:  0.522 Rat Oral Acute Toxicity:  0.425
Maximum Recommended Daily Dose:  0.629 Skin Sensitization:  0.652
Carcinogencity:  0.715 Eye Corrosion:  0.504
Eye Irritation:  0.989 Respiratory Toxicity:  0.785
Drug-induced Neurotoxicity:  0.163 Ototoxicity:  0.136
Hematotoxicity:  0.219 Drug-induced Nephrotoxicity:  0.12
Genotoxicity:  0.56 RPMI-8226 Immunitoxicity:  0.106
A549 Cytotoxicity:  0.23 Hek293 Cytotoxicity:  0.455
BCF:   0.923
?
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:   3.548
?
48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:   4.434
?
48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].
LC50FM:   3.965
?
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
NPO14367 Hypericum hirsutum Species Hypericaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/BF00597593]
NPO14367 Hypericum hirsutum Species Hypericaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11240-011-9919-5]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11356-018-3422-z]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11746-997-0093-1]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. Wrocław, Poland 2004–2005 DOI[10.1016/J.FOODCHEM.2006.08.014]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers n.a. n.a. DOI[10.1016/j.foodchem.2009.03.042]
NPO7635 Glycine max Species Fabaceae 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]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/S0021-9258(18)90865-3]
NPO4986 Eschscholzia californica Species Papaveraceae Eukaryota n.a. n.a. n.a. DOI[10.1016/S0031-9422(00)98060-9]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/S0168-9452(02)00136-X]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/S0168-9452(02)00136-X]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1021/jf950732o]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1023/A:1024390522259]
NPO17829 Ibervillea sonorae Species Cucurbitaceae Eukaryota n.a. n.a. n.a. DOI[10.1055/s-2007-967117]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers n.a. n.a. DOI[10.3136/fstr.15.499]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers n.a. n.a. DOI[10.5897/AJB10.140]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers n.a. n.a. DOI[10.5897/AJB2010.000-3252]
NPO2257 Oceanapia phillipensis Species Phloeodictyidae Eukaryota n.a. n.a. n.a. PMID[10654417]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[10775096]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[11374950]
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[11473439]
NPO8374 Allium siculum Species Amaryllidaceae Eukaryota bulb n.a. n.a. PMID[12141853]
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[12141863]
NPO6596 Vaccinium ashei Species Ericaceae Eukaryota n.a. fruit n.a. PMID[12372879]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota n.a. Indonesia n.a. PMID[12467611]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota aerial parts Bangdung, Indonesia 2000-Aug PMID[12608860]
NPO17790 Trigonostemon reidioides Species Euphorbiaceae Eukaryota roots Rat Buri Province, Thailand 1988-DEC PMID[14987064]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota n.a. Taiwan n.a. PMID[15104497]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. n.a. PMID[15516765]
NPO20756 Aspergillus unilateralis Species Aspergillaceae Eukaryota n.a. n.a. n.a. PMID[15602607]
NPO17790 Trigonostemon reidioides Species Euphorbiaceae Eukaryota n.a. root n.a. PMID[16204992]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. root n.a. PMID[1622242]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota Fruits n.a. n.a. PMID[16309325]
NPO4986 Eschscholzia californica Species Papaveraceae Eukaryota n.a. Oakham, MA, US n.a. PMID[16562853]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota n.a. Seoul, Korea 2000-Jun PMID[16643034]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[16659156]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[16668466]
NPO8524 Pithecellobium clypearia Species Fabaceae Eukaryota n.a. leaf n.a. PMID[16724853]
NPO8524 Pithecellobium clypearia Species Fabaceae Eukaryota leaves n.a. n.a. PMID[16724853]
NPO4986 Eschscholzia californica Species Papaveraceae Eukaryota n.a. n.a. n.a. PMID[17250743]
NPO21944 Laurencia mariannensis Species Rhodomelaceae Eukaryota n.a. n.a. n.a. PMID[18076141]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[18460139]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota fruit n.a. n.a. PMID[18505286]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota aerial parts n.a. n.a. PMID[19299148]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota fruit n.a. n.a. PMID[19650637]
NPO10996 Ferula assa-foetida Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[19691312]
NPO19755 Artemisia anomala Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[20000780]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[20963508]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. n.a. PMID[20973550]
NPO16660 Phomopsis archeri Species Valsaceae Eukaryota n.a. mycelium n.a. PMID[21341709]
NPO5877 Morus yunnanensis Species Moraceae Eukaryota n.a. n.a. n.a. PMID[22165973]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota n.a. leaf n.a. PMID[22210168]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota n.a. stem n.a. PMID[22210168]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[22537213]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota fruits n.a. n.a. PMID[23305920]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. n.a. PMID[23700450]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. leaf n.a. PMID[23849114]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. n.a. PMID[24310066]
NPO7635 Glycine max Species Fabaceae Eukaryota Seeds Tekirdag, Turkey PMID[24499198]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers Tongxiang, China n.a. PMID[24621197]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[25053043]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[25070365]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[25369450]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. seed n.a. PMID[25369450]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. seed n.a. PMID[25433632]
NPO28626 Isodon rubescens Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[25590529]
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota n.a. n.a. n.a. PMID[26473275]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. seed n.a. PMID[26860358]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota Leaves n.a. n.a. PMID[2691636]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[2691636]
NPO40334 Salvia filipes Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[27679866]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota Flowers n.a. n.a. PMID[28248102]
NPO23000 Zephyranthes carinata Species Amaryllidaceae Eukaryota Whole Plants n.a. n.a. PMID[28898076]
NPO759 Asphodelus tenuifolius Species Asphodelaceae Eukaryota n.a. n.a. n.a. PMID[30063349]
NPO10996 Ferula assa-foetida Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[31707845]
NPO3549 Euonymus maackii Species Celastraceae Eukaryota Seeds n.a. n.a. PMID[31713425]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. PMID[31861466]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota n.a. n.a. n.a. PMID[32141747]
NPO40338 Salvia tingitana Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[32182064]
NPO21807 Lindera umbellata Species Lauraceae Eukaryota n.a. n.a. n.a. PMID[32933154]
NPO23226 Satureja montana Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[33081385]
NPO23183 Pinus halepensis Species Pinaceae Eukaryota n.a. n.a. n.a. PMID[34847783]
NPO23226 Satureja montana Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[36671383]
NPO23226 Satureja montana Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[36840093]
NPO23183 Pinus halepensis Species Pinaceae Eukaryota n.a. n.a. n.a. PMID[38202742]
NPO10996 Ferula assa-foetida Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[385653815]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. n.a. PMID[38792127]
NPO13180 Jasminum officinale Species Oleaceae Eukaryota n.a. n.a. n.a. PMID[39524716]
NPO40480 Hyptis tomentosa Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[521819]
NPO22657 Centaurea sp. Species n.a. n.a. n.a. n.a. n.a. PMID[6512542]
NPO2733 Sarcomelicope argyrophylla Species Rutaceae Eukaryota n.a. n.a. n.a. Database[Article]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23226 Satureja montana Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10996 Ferula assa-foetida Species Apiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18655 Clerodendranthus spicatus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19755 Artemisia anomala Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14529 Asterias rubens Species Asteriidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5634 Wallago attu Species Siluridae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4986 Eschscholzia californica Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21807 Lindera umbellata Species Lauraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23183 Pinus halepensis 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]
NPO11020 Streptomyces purpeofuscus Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO22911 Enterococcus faecalis Species Enterococcaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO3676 Fusarium sambucinum Species Nectriaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11235 Asplenium nidus Species Aspleniaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29219 Primula veris Species Primulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11831 Achillea collina Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18962 Actinobacillus pleuropneumoniae Species Pasteurellaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO13422 Amoora yunnanensis n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO9428 Annona rensoniana Species Annonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17945 Arachniodes dimorphophylla Species Dryopteridaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10436 Aristolochia maxima Species Aristolochiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17100 Artemisia vachanica Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13856 Bergenia purpurascens Species Saxifragaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11559 Betula mandshurica Species Betulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17355 Bischofia trifoliata Species Phyllanthaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17706 Caragana tibetica Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14408 Chrysolina fastuosa Species Chrysomelidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17327 Cotoneaster orbicularis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16374 Crataegus sinaica Species Rosaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18709 Discaria crenata Species Rhamnaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11420 Dolichospermum affine Species Aphanizomenonaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO17870 Euphorbia ferganensis Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16510 Ganoderma australe Species Ganodermataceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28626 Isodon rubescens Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13180 Jasminum officinale Species Oleaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21802 Julocroton camporum n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO17175 Lasiocephalus ovatus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15667 Ligularia platyglossa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17739 Macrotyloma axillare Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16620 Malus asiatica Species Rosaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12559 Mikania obtusata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11925 Mola mola Species Molidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17244 Montrouziera sphaeroidea Species Clusiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9523 Nephroma antarcticum Species Nephromataceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18027 Oreosolen wattii Species Scrophulariaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12733 Pentapora fascialis Species Bitectiporidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1148 Phalium undulatum Species Cassidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16660 Phomopsis archeri Species Valsaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14698 Phyllospongia madagascarensis Species Thorectidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17637 Pimpinella saxifraga Species Apiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8524 Pithecellobium clypearia Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15079 Polygala myrtifolia Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16253 Rapanea myricoides Species Primulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15814 Rhodiola krylovii Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2733 Sarcomelicope argyrophylla Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2589 Solanum bahamense Species Solanaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26487 Tinospora smilacina Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17029 Tridacna gigas Species Tridacnidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17790 Trigonostemon reidioides Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22469 Tropaeolum speciosum Species Tropaeolaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15964 Tropiometra afra Species Tropiometridae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO6939 Vatica diospyroides Species Dipterocarpaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14027 Dacryodes normandii Species Burseraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO6388 Mulguraea tridens Species Verbenaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14201 Riccia fluitans Species Ricciaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22773 Teucrium alyssifolium Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22071 Gentiana olivieri Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14797 Orthosiphon aristatus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19601 Albizia amara Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20756 Aspergillus unilateralis Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9599 Delphinium hybr Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11698 Drosera spatulata Species Droseraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17829 Ibervillea sonorae Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21518 Senecio tricephalus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20399 Turbinellus floccosus Species Gomphaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21969 Veronicastrum virginicum Species Plantaginaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23141 Angelica ursina Species Apiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22395 Ardisia macrocarpa Species Primulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5890 Astragalus inopinatus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2499 Celmisia petriei Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22462 Chlorophytum malayense Species Asparagaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO592 Chroogomphus rutilus Species Gomphidiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1408 Cirsium helenioides Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22015 Clausena indica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10073 Clusia torresii Species Clusiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20100 Ephedra lomatolepis Species Ephedraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22197 Eriogaster lanestris Species Lasiocampidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3549 Euonymus maackii Species Celastraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22518 Gnetum cleistostachyum Species Gnetaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14887 Handroanthus guayacan Species Bignoniaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21140 Igernella notabilis Species Dictyodendrillidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23101 Ircinia aruensis Species Irciniidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19929 Jateorhiza palmata Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21944 Laurencia mariannensis Species Rhodomelaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21545 Maytenus guianensis Species Celastraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23062 Melibe leonina Species Dendronotidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5877 Morus yunnanensis Species Moraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7320 Nicotiana gossei Species Solanaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2257 Oceanapia phillipensis Species Phloeodictyidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20726 Ophioplocus japonicus Species Ophiolepididae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21745 Phleum africanum Species Poaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20964 Picradeniopsis oppositifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22717 Pinus thunbergii Species Pinaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5511 Populus tremula Species Salicaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16275 Pterocaulon rugosum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10353 Rauvolfia tetraphylla Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21680 Saussurea triangulata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22952 Senecio grandiflorus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8981 Senecio integerrimus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21881 Stephania succifera Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14664 Stevia salicifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21384 Tetraria capillaris Species Cyperaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1638 Ulmus laciniata Species Ulmaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22137 Vernonia serratuloides Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23000 Zephyranthes carinata Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10412 Aglaia erythrosperma Species Meliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8374 Allium siculum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7295 Arabis hirsuta Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11112 Inulanthera nuda Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4319 Rubia lanceolata Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24439 Tristagma uniflorum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11742 Eupatorium altissimum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22657 Centaurea sp. Species n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO14553 Eupatorium semiserratum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14588 Baccharis trimera Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14367 Hypericum hirsutum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. Database[FooDB]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Cotyledon n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Hypocotyl n.a. n.a. Database[FooDB]
NPO8541 Oryza sativa Species Poaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Oil n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Pericarp n.a. n.a. Database[FooDB]
NPO8541 Oryza sativa Species Poaceae Eukaryota Petiole n.a. n.a. Database[FooDB]
NPO8541 Oryza sativa Species Poaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO23226 Satureja montana Species Lamiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO8541 Oryza sativa Species Poaceae Eukaryota Protoplast n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO8541 Oryza sativa Species Poaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO8541 Oryza sativa Species Poaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Sprout Seedling n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota Testa n.a. n.a. Database[FooDB]
NPO20640 Aloysia triphylla Species Verbenaceae Eukaryota n.a. n.a. Database[FooDB]
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. Database[FooDB]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. Database[FooDB]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO18655 Clerodendranthus spicatus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO4986 Eschscholzia californica Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17706 Caragana tibetica Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO10436 Aristolochia maxima Species Aristolochiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29219 Primula veris Species Primulaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19929 Jateorhiza palmata Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO13180 Jasminum officinale Species Oleaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16620 Malus asiatica Species Rosaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19755 Artemisia anomala Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO13856 Bergenia purpurascens Species Saxifragaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO21807 Lindera umbellata Species Lauraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17637 Pimpinella saxifraga Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11742 Eupatorium altissimum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO5511 Populus tremula Species Salicaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO23141 Angelica ursina Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14553 Eupatorium semiserratum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8981 Senecio integerrimus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO30076 Lippia dulcis Species Verbenaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. seed n.a. Database[MetaboLights]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. seed n.a. Database[MetaboLights]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[MetaboLights]
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO23226 Satureja montana Species Lamiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO7635 Glycine max Species Fabaceae Eukaryota Seeds n.a. Database[Phenol-Explorer]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO19755 Artemisia anomala Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17244 Montrouziera sphaeroidea Species Clusiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19929 Jateorhiza palmata Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13856 Bergenia purpurascens Species Saxifragaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17706 Caragana tibetica Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18655 Clerodendranthus spicatus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28626 Isodon rubescens Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11742 Eupatorium altissimum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17637 Pimpinella saxifraga Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23388 Phyla dulcis Species Verbenaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13180 Jasminum officinale Species Oleaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17790 Trigonostemon reidioides Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22462 Chlorophytum malayense Species Asparagaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21807 Lindera umbellata Species Lauraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14553 Eupatorium semiserratum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23141 Angelica ursina Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22071 Gentiana olivieri Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO10436 Aristolochia maxima Species Aristolochiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8981 Senecio integerrimus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5511 Populus tremula Species Salicaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3549 Euonymus maackii Species Celastraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22657 Centaurea sp. Species n.a. n.a. n.a. n.a. n.a. Database[TCMID]
NPO4986 Eschscholzia californica Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29219 Primula veris Species Primulaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21881 Stephania succifera Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO19755 Artemisia anomala Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO11742 Eupatorium altissimum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO14553 Eupatorium semiserratum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO21807 Lindera umbellata Species Lauraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO13180 Jasminum officinale Species Oleaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO19929 Jateorhiza palmata Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO14367 Hypericum hirsutum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO4986 Eschscholzia californica Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO28626 Isodon rubescens Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO21545 Maytenus guianensis Species Celastraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13193 Procambarus clarkii Species Cambaridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11925 Mola mola Species Molidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22469 Tropaeolum speciosum Species Tropaeolaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19152 Empetrum nigrum Species Ericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5890 Astragalus inopinatus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20726 Ophioplocus japonicus Species Ophiolepididae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO759 Asphodelus tenuifolius Species Asphodelaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8524 Pithecellobium clypearia Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16374 Crataegus sinaica Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11559 Betula mandshurica Species Betulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2589 Solanum bahamense Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15667 Ligularia platyglossa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21807 Lindera umbellata Species Lauraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7295 Arabis hirsuta Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2733 Sarcomelicope argyrophylla Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21384 Tetraria capillaris Species Cyperaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22462 Chlorophytum malayense Species Asparagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16510 Ganoderma australe Species Ganodermataceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21881 Stephania succifera Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11420 Dolichospermum affine Species Aphanizomenonaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO22900 Orthosiphon stamineus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1408 Cirsium helenioides Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21140 Igernella notabilis Species Dictyodendrillidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17327 Cotoneaster orbicularis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17829 Ibervillea sonorae Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12733 Pentapora fascialis Species Bitectiporidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18027 Oreosolen wattii Species Scrophulariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23226 Satureja montana Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21680 Saussurea triangulata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17706 Caragana tibetica Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22518 Gnetum cleistostachyum Species Gnetaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22952 Senecio grandiflorus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16253 Rapanea myricoides Species Primulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22717 Pinus thunbergii Species Pinaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23000 Zephyranthes carinata Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15079 Polygala myrtifolia Species Polygalaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5877 Morus yunnanensis Species Moraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9523 Nephroma antarcticum Species Nephromataceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16275 Pterocaulon rugosum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15814 Rhodiola krylovii Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19451 Salvia prionitis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16620 Malus asiatica Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15964 Tropiometra afra Species Tropiometridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5511 Populus tremula Species Salicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16660 Phomopsis archeri Species Valsaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17739 Macrotyloma axillare Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14887 Handroanthus guayacan Species Bignoniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23141 Angelica ursina Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2865 Abrus precatorius Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10436 Aristolochia maxima Species Aristolochiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1638 Ulmus laciniata Species Ulmaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18709 Discaria crenata Species Rhamnaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23101 Ircinia aruensis Species Irciniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14664 Stevia salicifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13856 Bergenia purpurascens Species Saxifragaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13422 Amoora yunnanensis n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO20100 Ephedra lomatolepis Species Ephedraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22773 Teucrium alyssifolium Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13180 Jasminum officinale Species Oleaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21969 Veronicastrum virginicum Species Plantaginaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21802 Julocroton camporum n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO10996 Ferula assa-foetida Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14201 Riccia fluitans Species Ricciaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17029 Tridacna gigas Species Tridacnidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20964 Picradeniopsis oppositifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14588 Baccharis trimera Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1148 Phalium undulatum Species Cassidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21944 Laurencia mariannensis Species Rhodomelaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7320 Nicotiana gossei Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17244 Montrouziera sphaeroidea Species Clusiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20399 Turbinellus floccosus Species Gomphaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29219 Primula veris Species Primulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21745 Phleum africanum Species Poaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17790 Trigonostemon reidioides Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6939 Vatica diospyroides Species Dipterocarpaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19929 Jateorhiza palmata Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11020 Streptomyces purpeofuscus Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO22197 Eriogaster lanestris Species Lasiocampidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6388 Mulguraea tridens Species Verbenaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17355 Bischofia trifoliata Species Phyllanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23183 Pinus halepensis Species Pinaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5634 Wallago attu Species Siluridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22911 Enterococcus faecalis Species Enterococcaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO11112 Inulanthera nuda Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2499 Celmisia petriei Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1958 Eupatorium leucolepis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10353 Rauvolfia tetraphylla Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8981 Senecio integerrimus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22137 Vernonia serratuloides Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11235 Asplenium nidus Species Aspleniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22015 Clausena indica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22395 Ardisia macrocarpa Species Primulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28626 Isodon rubescens Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14797 Orthosiphon aristatus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8541 Oryza sativa Species Poaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3549 Euonymus maackii Species Celastraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14408 Chrysolina fastuosa Species Chrysomelidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14529 Asterias rubens Species Asteriidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11831 Achillea collina Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1399 Xylosma longifolia Species Salicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12871 Arenaria kumaonensis Species Scolopacidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4986 Eschscholzia californica Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17175 Lasiocephalus ovatus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12559 Mikania obtusata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO592 Chroogomphus rutilus Species Gomphidiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18962 Actinobacillus pleuropneumoniae Species Pasteurellaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO17945 Arachniodes dimorphophylla Species Dryopteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17100 Artemisia vachanica Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10412 Aglaia erythrosperma Species Meliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14698 Phyllospongia madagascarensis Species Thorectidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24439 Tristagma uniflorum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10073 Clusia torresii Species Clusiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22071 Gentiana olivieri Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3676 Fusarium sambucinum Species Nectriaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9599 Delphinium hybr Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20756 Aspergillus unilateralis Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7635 Glycine max Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26487 Tinospora smilacina Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9428 Annona rensoniana Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17870 Euphorbia ferganensis Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2257 Oceanapia phillipensis Species Phloeodictyidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23062 Melibe leonina Species Dendronotidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11698 Drosera spatulata Species Droseraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20868 Heterocentrotus mammillatus Species Echinometridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6596 Vaccinium ashei Species Ericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19601 Albizia amara Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14027 Dacryodes normandii Species Burseraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4319 Rubia lanceolata Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17637 Pimpinella saxifraga Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14367 Hypericum hirsutum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8374 Allium siculum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11742 Eupatorium altissimum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19755 Artemisia anomala Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18445 Puccinia coronata Species Pucciniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18655 Clerodendranthus spicatus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9353 Solidago spathulata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23388 Phyla dulcis Species Verbenaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20640 Aloysia triphylla Species Verbenaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13470 Satureja odora Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21518 Senecio tricephalus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14553 Eupatorium semiserratum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]

Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
UNPD: Universal Natural Products Database [PMID: 23638153].
StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
MetaboLights: a metabolomics database [PMID: 27010336].
FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].



  NP Quantity Composition/Concentration

Organism ID Organism Name Organism Material Preparation Organism Part NP Quantity (Standard) NP Quantity (Minimum) NP Quantity (Maximum) Quantity Unit Reference
NPO20640 Aloysia triphylla Dried Or Powder n.a. 11.65035728 n.a. n.a. mg/100g Database [PHENOL EXPLORER]

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
NPT1603 Individual protein Cytochrome P450 1A1 Homo sapiens Ki = 210.0 nM PMID[21482471]
NPT1604 Individual protein Cytochrome P450 1B1 Homo sapiens Ki = 35.0 nM PMID[21482471]
NPT1603 Individual protein Cytochrome P450 1A1 Homo sapiens Activity = 47.8 % PMID[21482471]
NPT1433 Individual protein Serine/threonine-protein kinase Aurora-B Homo sapiens Ki = 39.81 nM PubChem BioAssay data set
NPT1478 Individual protein Vascular endothelial growth factor receptor 2 Homo sapiens Ki = 794.33 nM PubChem BioAssay data set
NPT1432 Individual protein Serine/threonine-protein kinase Aurora-A Homo sapiens Ki = 1000.0 nM PubChem BioAssay data set
NPT1650 Individual protein Tyrosine-protein kinase receptor FLT3 Homo sapiens IC50 = 1100.0 nM PMID[33393294]
NPT1650 Individual protein Tyrosine-protein kinase receptor FLT3 Homo sapiens Inhibition >= 80.0 % PMID[33393294]
NPT72 Individual protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 72.8 % PMID[23571415]
NPT73 Individual protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 87.53 % PMID[23571415]

In vitro activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT453 Cell line HT-1080 Homo sapiens ED50 = 8.8 ug ml-1 PMID[11374950]
NPT91 Cell line KB Homo sapiens ED50 > 50.0 ug ml-1 PMID[521819]
NPT83 Cell line MCF7 Homo sapiens IC50 = 7000.0 nM PMID[19601638]
NPT784 Cell line MDA-MB-468 Homo sapiens Ratio IC50 = 100.0 n.a. PMID[21482471]
NPT165 Cell line HeLa Homo sapiens IC50 = 8100.0 nM PMID[31784199]
NPT83 Cell line MCF7 Homo sapiens IC50 = 10300.0 nM PMID[31784199]
NPT4427 Organism Staphylococcus simulans Staphylococcus simulans MIC > 128.0 ug.mL-1 PMID[32182064]
NPT20529 Non-molecular NON-PROTEIN TARGET n.a. ED50 = 3.7 ug ml-1 PMID[11374950]
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 93.8 ug.mL-1 PMID[6512542]
NPT79 Organism Bacillus subtilis Bacillus subtilis MBC = 187.5 ug ml-1 PMID[6512542]
NPT3599 Organism Staphylococcus capitis Staphylococcus capitis MIC > 128.0 ug.mL-1 PMID[32182064]
NPT5312 Organism Staphylococcus warneri Staphylococcus warneri MIC > 128.0 ug.mL-1 PMID[32182064]
NPT4840 Organism Staphylococcus lugdunensis Staphylococcus lugdunensis MIC > 128.0 ug.mL-1 PMID[32182064]
NPT4075 Organism Enterococcus avium Enterococcus avium MIC = 186000.0 nM PMID[32182064]
NPT4844 Organism Enterococcus gallinarum Enterococcus gallinarum MIC = 186000.0 nM PMID[32182064]
NPT19 Organism Escherichia coli Escherichia coli MIC = 187.5 ug.mL-1 PMID[6512542]
NPT19 Organism Escherichia coli Escherichia coli MBC > 375.0 ug ml-1 PMID[6512542]
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 128.0 ug.mL-1 PMID[32182064]
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC > 128.0 ug.mL-1 PMID[32182064]
NPT1863 Organism Staphylococcus saprophyticus Staphylococcus saprophyticus MIC > 128.0 ug.mL-1 PMID[32182064]
NPT4025 Organism Staphylococcus hominis Staphylococcus hominis MIC > 128.0 ug.mL-1 PMID[32182064]
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 186000.0 nM PMID[32182064]
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 372000.0 nM PMID[32182064]
NPT3730 Organism Enterococcus durans Enterococcus durans MIC > 128.0 ug.mL-1 PMID[32182064]
NPT2 Others Unspecified n.a. Activity = 0.0 n.a. PMID[8882428]
NPT1477 Organism Staphylococcus haemolyticus Staphylococcus haemolyticus MIC > 128.0 ug.mL-1 PMID[32182064]
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC = 372000.0 nM PMID[32182064]
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC > 128.0 ug.mL-1 PMID[32182064]
NPT23872 Organism Enterococcus casseliflavus Enterococcus casseliflavus MIC = 372000.0 nM PMID[32182064]

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 NPC160951 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
0.7925 Intermediate Similarity NPC145379
0.7778 Intermediate Similarity NPC25270
0.7636 Intermediate Similarity NPC69394
0.7455 Intermediate Similarity NPC256283
0.7407 Intermediate Similarity NPC239128
0.7368 Intermediate Similarity NPC47781
0.7321 Intermediate Similarity NPC212678
0.7273 Intermediate Similarity NPC120163
0.7273 Intermediate Similarity NPC276409
0.7222 Intermediate Similarity NPC75279
0.7193 Intermediate Similarity NPC25495
0.7193 Intermediate Similarity NPC93376
0.7193 Intermediate Similarity NPC223579
0.6897 Remote Similarity NPC196439
0.6897 Remote Similarity NPC608258
0.6857 Remote Similarity NPC605067
0.661 Remote Similarity NPC52005
0.6441 Remote Similarity NPC146165
0.6066 Remote Similarity NPC287101
0.6066 Remote Similarity NPC607642
0.5932 Remote Similarity NPC156222
0.5915 Remote Similarity NPC58053
0.5902 Remote Similarity NPC255350
0.5833 Remote Similarity NPC100887
0.5833 Remote Similarity NPC110070
0.5833 Remote Similarity NPC57030
0.5806 Remote Similarity NPC177298
0.5806 Remote Similarity NPC283600
0.5806 Remote Similarity NPC608539
0.5738 Remote Similarity NPC50715
0.5738 Remote Similarity NPC49824
0.5738 Remote Similarity NPC162313
0.5667 Remote Similarity NPC29353
0.5645 Remote Similarity NPC176300
0.56 Remote Similarity NPC609451
0.5556 Remote Similarity NPC189179
0.5556 Remote Similarity NPC195202
0.5541 Remote Similarity NPC186807
0.5541 Remote Similarity NPC45638
0.5538 Remote Similarity NPC485299
0.5526 Remote Similarity NPC22832
0.55 Remote Similarity NPC293183
0.5484 Remote Similarity NPC108406
0.5484 Remote Similarity NPC163780
0.5484 Remote Similarity NPC18772
0.5469 Remote Similarity NPC261004
0.5467 Remote Similarity NPC201292
0.541 Remote Similarity NPC241498
0.541 Remote Similarity NPC284552
0.541 Remote Similarity NPC275722
0.5397 Remote Similarity NPC300943
0.5397 Remote Similarity NPC200740
0.5397 Remote Similarity NPC270620
0.5397 Remote Similarity NPC83508
0.5385 Remote Similarity NPC227192
0.5323 Remote Similarity NPC33265
0.5323 Remote Similarity NPC176775
0.5323 Remote Similarity NPC198826
0.5323 Remote Similarity NPC101830
0.5312 Remote Similarity NPC75215
0.5312 Remote Similarity NPC4481
0.5312 Remote Similarity NPC2476
0.5312 Remote Similarity NPC606638
0.5256 Remote Similarity NPC602805
0.525 Remote Similarity NPC254540
0.5246 Remote Similarity NPC607530
0.5238 Remote Similarity NPC9609
0.5238 Remote Similarity NPC201136
0.5238 Remote Similarity NPC604569
0.5231 Remote Similarity NPC137062
0.5224 Remote Similarity NPC76482
0.5217 Remote Similarity NPC470402
0.5205 Remote Similarity NPC600396
0.52 Remote Similarity NPC93337
0.5161 Remote Similarity NPC127447
0.5156 Remote Similarity NPC280339
0.5156 Remote Similarity NPC20830
0.5143 Remote Similarity NPC213622
0.5135 Remote Similarity NPC272064
0.5132 Remote Similarity NPC105025
0.5128 Remote Similarity NPC21666
0.5125 Remote Similarity NPC211594
0.5079 Remote Similarity NPC184136
0.5079 Remote Similarity NPC18260
0.5079 Remote Similarity NPC48479
0.5079 Remote Similarity NPC231772
0.5079 Remote Similarity NPC22519
0.5079 Remote Similarity NPC234133
0.5079 Remote Similarity NPC601901
0.5077 Remote Similarity NPC12200

Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC160951 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
0.5902 Remote Similarity NPD2801 Pre-clinical

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