Natural Product: NPC1321

Natural Product IDNPC1321
Common Name
?
The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
 Ethylgallate
IUPAC Name ethyl 3,4,5-trihydroxybenzoate
Synonyms E313
Synthetic Gene Cluster n.a.
ChEMBL Identifier CHEMBL453196
PubChem CID 13250
Chemical Classification
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0002448] Benzenoids
      • [CHEMONTID:0002279] Benzene and substituted derivatives
        • [CHEMONTID:0000176] Benzoic acids and derivatives
          • [CHEMONTID:0001248] Hydroxybenzoic acid derivatives
            • [CHEMONTID:0001251] Gallic acid and derivatives
              • [CHEMONTID:0003539] Galloyl esters

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 VFPFQHQNJCMNBZ-UHFFFAOYSA-N
Standard InCHI InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3
SMILES CCOC(=O)c1cc(O)c(c(c1)O)O

  Calculated Properties

Physi-Chem Properties

Molecular Weight:   198.05 Volume:   189.069
?
Van der Waals volume.
Dense:   1.048 LogP:   1.318
?
The logarithm of the n-octanol/water distribution coefficients.
logD7.4:   1.371
?
The logarithm of the n-octanol/water distribution coefficient at pH=7.4.
 LogS:   -2.062
?
The logarithm of aqueous solubility value.
Rotatable Bonds:   3.0 Rigid Bonds:   7.0
TPSA:   86.99
?
Topological Polar Surface Area.
 H-Bond Acceptor:   5.0
H-Bond Donor:   3.0 Rings:   1.0
Heavy Atoms:   5.0

MedChem Properties

QED Drug-Likeness Score:   0.487 GASA:   0.0
?
GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:   2.025 Fsp3:   0.222
MCE-18:   8.0
?
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:   1 PAINS Alert:   1
Colloidal aggregators:   0.584 Fluc inhibitor:   0.014
?
The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:   0.054
?
The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1
 Green fluorescence:   0.022
?
The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:   0.965 Promiscuous compounds:   0.965

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:   -5.409 MDCK Permeability:   -4.785
Pgp-inhibitor:   0.025 Pgp-substrate:   0.001
PAMPA:   0.662
?
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):   0.001
20% Bioavailability (F20%):   0.87 30% Bioavailability (F30%):   0.787
50% Bioavailability (F50%):   0.945

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):   0.018 MRP1:   1.0
Plasma Protein Binding (PPB):   59.95% Volume Distribution (VD):   -0.202
Fu: 39.933%
?
The fraction unbound in plasms.
 OATP1B1 inhibitor:   0.48
OATP1B3 inhibitor:   0.932 BCRP inhibitor:   0.553
BSEP inhibitor:   0.557

ADMET: Metabolism

CYP1A2-inhibitor:   0.0 CYP1A2-substrate:   0.218
CYP2C19-inhibitor:   0.0 CYP2C19-substrate:   0.974
CYP2C9-inhibitor:   0.0 CYP2C9-substrate:   0.0
CYP2D6-inhibitor:   0.0 CYP2D6-substrate:   0.658
CYP3A4-inhibitor:   0.0 CYP3A4-substrate:   1.0
CYP2B6-substrate:   0.0 CYP2C8-inhibitor:   0.999
HLM stability:   0.998
?
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):  12.7 Half-life (T1/2):  1.425

ADMET: Toxicity

hERG Blockers:  0.096 hERG Blockers (10um):  0.866
Human Hepatotoxicity (H-HT):  0.064 Drug-induced Liver Injury (DILI):  0.667
AMES Toxicity:  0.263 Rat Oral Acute Toxicity:  0.112
Maximum Recommended Daily Dose:  0.384 Skin Sensitization:  0.99
Carcinogencity:  0.416 Eye Corrosion:  0.222
Eye Irritation:  0.997 Respiratory Toxicity:  0.163
Drug-induced Neurotoxicity:  0.004 Ototoxicity:  0.617
Hematotoxicity:  0.003 Drug-induced Nephrotoxicity:  0.003
Genotoxicity:  0.283 RPMI-8226 Immunitoxicity:  0.006
A549 Cytotoxicity:  0.743 Hek293 Cytotoxicity:  0.172
BCF:   0.692
?
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:   3.328
?
48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:   4.332
?
48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].
 LC50FM:   3.801
?
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
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.jfca.2004.07.004]
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.jfca.2005.08.001]
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae 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]
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota n.a. n.a. n.a. DOI[10.1111/j.1600-079X.2010.00817.x]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. n.a. DOI[10.1246/bcsj.30.618]
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae Eukaryota n.a. n.a. 1996-Sep PMID[10352947]
NPO26650 Terminalia chebula Species Combretaceae Eukaryota n.a. n.a. n.a. PMID[11520216]
NPO31494 Acanthopanax senticosus n.a. n.a. n.a. n.a. leaf n.a. PMID[11816040]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. root n.a. PMID[14727919]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. leaf n.a. PMID[14727919]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. bark n.a. PMID[14727919]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. xylem n.a. PMID[14727919]
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae Eukaryota n.a. n.a. n.a. PMID[15877880]
NPO11357 Nephelium lappaceum Species Sapindaceae Eukaryota Seeds n.a. n.a. PMID[16180821]
NPO29530 Kaempferia marginata Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[16309313]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota roots n.a. n.a. PMID[16792421]
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae Eukaryota n.a. n.a. n.a. PMID[17011103]
NPO31494 Acanthopanax senticosus n.a. n.a. n.a. n.a. n.a. n.a. PMID[17125224]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota n.a. leaf n.a. PMID[17125224]
NPO27743 Aaptos aaptos Species Suberitidae Eukaryota n.a. n.a. n.a. PMID[17716892]
NPO29953 Bombax malabaricum Species Malvaceae Eukaryota n.a. n.a. n.a. PMID[17764148]
NPO4435 Brunfelsia grandiflora Species Solanaceae Eukaryota n.a. leaf n.a. PMID[18175984]
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae Eukaryota n.a. n.a. n.a. PMID[18460139]
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae Eukaryota n.a. Northeastern Regional Plant Introduction Station at Geneva 1966, 1967, and 1968 crop seasons PMID[18460139]
NPO28864 Nauclea officinalis Species Rubiaceae Eukaryota n.a. n.a. n.a. PMID[19299148]
NPO29381 Trichilia rubescens Species Meliaceae Eukaryota leaves Kibale National Park, Uganda 2000-2001 PMID[19299148]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. whole plant n.a. PMID[21534540]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota whole plants Panshi, Jilin Province, China 2009-JUN PMID[21534540]
NPO5258 Fagara zanthoxyloides n.a. n.a. n.a. n.a. n.a. n.a. PMID[22472691]
NPO4124 Dimocarpus longan Species Sapindaceae Eukaryota n.a. seed n.a. PMID[24533783]]
NPO18093 Rosa chinensis Species Rosaceae Eukaryota Flowers Muyang, China n.a. PMID[24621197]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota roots n.a. n.a. PMID[24660966]
NPO27743 Aaptos aaptos Species Suberitidae Eukaryota n.a. South China Sea n.a. PMID[25211032]
NPO20608 Gleditsia sinensis Species Fabaceae Eukaryota anomalous fruits n.a. n.a. PMID[25442304]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[25453801]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[26702644]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota leaves n.a. n.a. PMID[27400231]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. n.a. PMID[27466882]
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae Eukaryota n.a. n.a. n.a. PMID[2831703]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota Roots n.a. n.a. PMID[28383891]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota Roots n.a. n.a. PMID[29148766]
NPO4055 Aspergillus unguis Species Aspergillaceae Eukaryota n.a. n.a. n.a. PMID[31117521]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[31184480]
NPO31494 Acanthopanax senticosus n.a. n.a. n.a. Barks Iksan, Chunbuk, Korea n.a. PMID[3127544]
NPO29530 Kaempferia marginata Species Zingiberaceae Eukaryota Rhizomes n.a. n.a. PMID[31873014]
NPO40956 Woodfordia uniflora Species n.a. n.a. n.a. n.a. n.a. PMID[32639158]
NPO21322 Plinia cauliflora Species Myrtaceae Eukaryota leaves n.a. n.a. PMID[32706260]
NPO4435 Brunfelsia grandiflora Species Solanaceae Eukaryota n.a. n.a. n.a. PMID[36235047]
NPO17962 Tagetes erecta Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[39181940]
NPO17962 Tagetes erecta Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[39716808]
NPO7631 Gleditsia japonica Species Fabaceae Eukaryota Fruits n.a. n.a. PMID[7494144]
NPO27743 Aaptos aaptos Species Suberitidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29363 Aconitum nevadense Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28784 Alseodaphne corneri Species Lauraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO27269 Annona impressivenia Species Annonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4055 Aspergillus unguis Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29510 Aulacocephalus temmincki Species Serranidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28971 Bersama yangambiensis Species Melianthaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29189 Castanopsis sclerophylla Species Fagaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29400 Conocephalum japonicum Species Conocephalaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26192 Cordylanthus kingii Species Orobanchaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25981 Crinipellis scabella Species Marasmiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28949 Croton cumingii Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29127 Cystophora scalaris Species Sargassaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29047 Disynaphia halimifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4244 Doodia picta Species Blechnaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28845 Eragrostis viscosa Species Poaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1245 Eunicella cavolinii Species Gorgoniidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28824 Forsteronia refracta Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3340 Fridericia chica Species Bignoniaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28898 Grewia mollis Species Malvaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29203 Gymnocarpium robertianum Species Cystopteridaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29154 Heliotropium floridum Species Heliotropiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28937 Heterotheca grandiflora Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29415 Hovenia acerba Species Rhamnaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29530 Kaempferia marginata Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29142 Kaunia saltensis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13818 Narcissus concolor Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28864 Nauclea officinalis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11357 Nephelium lappaceum Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29225 Oncoba echinata Species Salicaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28918 Ophiolepis superba Species Ophiolepididae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29068 Papilio phorcas Species Papilionidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29344 Parabenzoin trilobum n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO3744 Polycephalomyces nipponicus Species Ophiocordycipitaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9157 Rubrivivax gelatinosus Species n.a. Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO29004 Ruta pinnata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29242 Salvia dorrii Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29488 Sophora angustifolia Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29446 Stevia polycephala Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29450 Streptomyces parvisporogenes Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO29292 Teucrium depressum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28805 Thymus piperella Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29381 Trichilia rubescens Species Meliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12510 Aronia arbutifolia Species Rosaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13070 Clibadium mexiae Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1744 Discaria serratifolia Species Rhamnaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11636 Ideopsis similis Species Nymphalidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO998 Justicia hayatai Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3469 Pteris dactylina Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9180 Pyrostegia venusta Species Bignoniaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3580 Rana amurensis Species Ranidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13016 Viscaria viscosa Species Caryophyllaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18093 Rosa chinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17962 Tagetes erecta Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26650 Terminalia chebula Species Combretaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22505 Bombax ceiba Species Malvaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO358 Uncaria guianensis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4307 Canarium album Species Burseraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO6469 Clematis angustifolia Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4124 Dimocarpus longan Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5258 Fagara zanthoxyloides n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO3619 Ilex hainanensis Species Aquifoliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4676 Melicope sarcococca Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5868 Morus rubra Species Moraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21322 Plinia cauliflora Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10396 Pteris australis Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1933 Sideritis nutans Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO816 Stenomesson miniatum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12378 Streptomyces blastmyceticus Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO3084 Xylopia brasiliensis Species Annonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21458 Radix paeoniae rubra Species Lymnaeidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7631 Gleditsia japonica Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20608 Gleditsia sinensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4435 Brunfelsia grandiflora Species Solanaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7352 Acacia arabica Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26209.1 Acer tataricum subsp. ginnala Subspecies Sapindaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5271.1 Ampelopsis glandulosa var. brevipedunculata Varieties Vitaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1191 Castanea mollissima Species Fagaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24168 Rhus coriaria Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO27557 Toona sinensis Species Meliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO31494 Acanthopanax senticosus n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO16290 Mutisia spinosa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25023 Lactarius camphoratus Species Russulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25658 Rumex japonicus Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24775 Rhodiola sacra Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO31111 Ampelopsis brevipedunculata Species Vitaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16419 Rumex chalepensis Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24360 Centaurea squarrosa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29953 Bombax malabaricum Species Malvaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22543 Cleome chrysantha Species Cleomaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. n.a. Database[FooDB]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota Essential Oil n.a. n.a. Database[FooDB]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota Flower n.a. n.a. Database[FooDB]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota Pericarp n.a. n.a. Database[FooDB]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO4124 Dimocarpus longan Species Sapindaceae Eukaryota n.a. n.a. Database[FooDB]
NPO11357 Nephelium lappaceum Species Sapindaceae Eukaryota n.a. n.a. Database[FooDB]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae Eukaryota n.a. n.a. Database[FooDB]
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae Eukaryota Roots n.a. Database[FooDB]
NPO31494 Acanthopanax senticosus n.a. n.a. n.a. n.a. n.a. n.a. Database[HerDing]
NPO18093 Rosa chinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7352 Acacia arabica Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29953 Bombax malabaricum Species Malvaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26650 Terminalia chebula Species Combretaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO358 Uncaria guianensis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO1191 Castanea mollissima Species Fagaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO4307 Canarium album Species Burseraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO23516 Potentilla discolor Species Rosaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO20608 Gleditsia sinensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25658 Rumex japonicus Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO24775 Rhodiola sacra Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO31111 Ampelopsis brevipedunculata Species Vitaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29004 Ruta pinnata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17962 Tagetes erecta Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO28864 Nauclea officinalis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO24168 Rhus coriaria Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO28949 Croton cumingii Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO27557 Toona sinensis Species Meliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO30551 Acer ginnala Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO4124 Dimocarpus longan Species Sapindaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO358 Uncaria guianensis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO20608 Gleditsia sinensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21458 Radix paeoniae rubra Species Lymnaeidae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29004 Ruta pinnata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5271.1 Ampelopsis glandulosa var. brevipedunculata Varieties Vitaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29344 Parabenzoin trilobum n.a. n.a. n.a. n.a. n.a. n.a. Database[TCMID]
NPO26650 Terminalia chebula Species Combretaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17962 Tagetes erecta Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO1191 Castanea mollissima Species Fagaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23516 Potentilla discolor Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3469 Pteris dactylina Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18093 Rosa chinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22505 Bombax ceiba Species Malvaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7352 Acacia arabica Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO24775 Rhodiola sacra Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28864 Nauclea officinalis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26209.1 Acer tataricum subsp. ginnala Subspecies Sapindaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25658 Rumex japonicus Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23984 Metagentiana rhodantha Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4307 Canarium album Species Burseraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO27557 Toona sinensis Species Meliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO24168 Rhus coriaria Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3580 Rana amurensis Species Ranidae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29530 Kaempferia marginata Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4055 Aspergillus unguis Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28805 Thymus piperella Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28949 Croton cumingii Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO4124 Dimocarpus longan Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO31111 Ampelopsis brevipedunculata Species Vitaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO18093 Rosa chinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO31494 Acanthopanax senticosus n.a. n.a. n.a. n.a. n.a. n.a. Database[TCM_Taiwan]
NPO20608 Gleditsia sinensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO7352 Acacia arabica Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO4307 Canarium album Species Burseraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO25658 Rumex japonicus Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO28864 Nauclea officinalis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO24775 Rhodiola sacra Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO17962 Tagetes erecta Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO1191 Castanea mollissima Species Fagaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO7576.2 Brassica oleracea var. sabauda Varieties Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO26650 Terminalia chebula Species Combretaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO29953 Bombax malabaricum Species Malvaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO24168 Rhus coriaria Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO30551 Acer ginnala Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO3580 Rana amurensis Species Ranidae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO26650 Terminalia chebula Species Combretaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO20608 Gleditsia sinensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO25658 Rumex japonicus Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO16419 Rumex chalepensis Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO7631 Gleditsia japonica Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO4124 Dimocarpus longan Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO18093 Rosa chinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO4307 Canarium album Species Burseraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO29242 Salvia dorrii Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29225 Oncoba echinata Species Salicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28949 Croton cumingii Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29363 Aconitum nevadense Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26192 Cordylanthus kingii Species Orobanchaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29530 Kaempferia marginata Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28864 Nauclea officinalis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27269 Annona impressivenia Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29415 Hovenia acerba Species Rhamnaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27743 Aaptos aaptos Species Suberitidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29203 Gymnocarpium robertianum Species Cystopteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29450 Streptomyces parvisporogenes Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO3340 Fridericia chica Species Bignoniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1744 Discaria serratifolia Species Rhamnaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9180 Pyrostegia venusta Species Bignoniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1245 Eunicella cavolinii Species Gorgoniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29127 Cystophora scalaris Species Sargassaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29381 Trichilia rubescens Species Meliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28898 Grewia mollis Species Malvaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29400 Conocephalum japonicum Species Conocephalaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29446 Stevia polycephala Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28918 Ophiolepis superba Species Ophiolepididae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29047 Disynaphia halimifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28971 Bersama yangambiensis Species Melianthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4055 Aspergillus unguis Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13818 Narcissus concolor Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28784 Alseodaphne corneri Species Lauraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4244 Doodia picta Species Blechnaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29142 Kaunia saltensis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28805 Thymus piperella Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28937 Heterotheca grandiflora Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28845 Eragrostis viscosa Species Poaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28824 Forsteronia refracta Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29004 Ruta pinnata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29510 Aulacocephalus temmincki Species Serranidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29154 Heliotropium floridum Species Heliotropiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29292 Teucrium depressum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6469 Clematis angustifolia Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO998 Justicia hayatai Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22505 Bombax ceiba Species Malvaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29189 Castanopsis sclerophylla Species Fagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3619 Ilex hainanensis Species Aquifoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25981 Crinipellis scabella Species Marasmiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3744 Polycephalomyces nipponicus Species Ophiocordycipitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9157 Rubrivivax gelatinosus Species n.a. Bacteria n.a. n.a. n.a. Database[UNPD]
NPO29488 Sophora angustifolia Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29344 Parabenzoin trilobum n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO4676 Melicope sarcococca Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29068 Papilio phorcas Species Papilionidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5258 Fagara zanthoxyloides n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO12378 Streptomyces blastmyceticus Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO3580 Rana amurensis Species Ranidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20608 Gleditsia sinensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26650 Terminalia chebula Species Combretaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11357 Nephelium lappaceum Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3084 Xylopia brasiliensis Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4307 Canarium album Species Burseraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13016 Viscaria viscosa Species Caryophyllaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15025 Celtis reticulosa Species Cannabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10396 Pteris australis Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11636 Ideopsis similis Species Nymphalidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25381 Litsea rotundifolia Species Lauraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21977 Psora corallina Species Psoraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25023 Lactarius camphoratus Species Russulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20026 Senecio callosus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4435 Brunfelsia grandiflora Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3469 Pteris dactylina Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23984 Metagentiana rhodantha Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22543 Cleome chrysantha Species Cleomaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12510 Aronia arbutifolia Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16419 Rumex chalepensis Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1933 Sideritis nutans Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO358 Uncaria guianensis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1191 Castanea mollissima Species Fagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16290 Mutisia spinosa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24360 Centaurea squarrosa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13070 Clibadium mexiae Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27557 Toona sinensis Species Meliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21322 Plinia cauliflora Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7631 Gleditsia japonica Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO816 Stenomesson miniatum Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25658 Rumex japonicus Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10997 Kitasatospora mediocidica Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO17962 Tagetes erecta Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5868 Morus rubra Species Moraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7352 Acacia arabica Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4124 Dimocarpus longan Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26209.1 Acer tataricum subsp. ginnala Subspecies Sapindaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24168 Rhus coriaria Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5271.1 Ampelopsis glandulosa var. brevipedunculata Varieties Vitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24775 Rhodiola sacra Species Crassulaceae 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
NPO4435 Brunfelsia grandiflora n.a. n.a. 3.99 ± 0.09 n.a. n.a. mg/100g PMID[36235047]
NPO4435 Brunfelsia grandiflora n.a. n.a. 12.38 ± 0.38 n.a. n.a. mg/100g PMID[36235047]
NPO4435 Brunfelsia grandiflora n.a. n.a. 19.92 ± 0.56 n.a. n.a. mg/100g PMID[36235047]
NPO4435 Brunfelsia grandiflora n.a. n.a. 3.28 ± 0.10 n.a. n.a. mg/100g PMID[36235047]

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
NPT326 Individual protein Squalene monooxygenase Rattus norvegicus IC50 = 4200.0 nM PMID[11520216]
NPT108 Individual protein Estrogen receptor alpha Homo sapiens FC > 2.0 n.a. PMID[33711444]
NPT108 Individual protein Estrogen receptor alpha Homo sapiens Activity n.a. n.a. n.a. PMID[33711444]

In vitro activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell line HL-60 Homo sapiens IC50 = 42000.0 nM PMID[18693020]
NPT83 Cell line MCF7 Homo sapiens Activity n.a. n.a. n.a. PMID[33711444]
NPT83 Cell line MCF7 Homo sapiens Activity = 130.6 % PMID[33711444]
NPT83 Cell line MCF7 Homo sapiens IC50 = 62500.0 nM PMID[33711444]
NPT83 Cell line MCF7 Homo sapiens Inhibition n.a. n.a. % PMID[33711444]
NPT333 Cell line CEM Homo sapiens CC50 = 23000.0 nM PMID[25617695]
NPT21 Organism Aspergillus niger Aspergillus niger MIC > 250.0 ug.mL-1 PMID[19232493]
NPT331 Organism Ralstonia solanacearum Ralstonia solanacearum IZ = 42.0 mm DOI[10.1584/jpestics.G10-84]
NPT331 Organism Ralstonia solanacearum Ralstonia solanacearum IZ = 18.0 mm DOI[10.1584/jpestics.G10-84]
NPT20555 Organism SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 Activity n.a. n.a. n.a. PMID[34329818]
NPT20555 Organism SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 Inhibition = 21.05 % PMID[34329818]
NPT327 Organism Microsporum gypseum Microsporum gypseum MIC = 100.0 ug.mL-1 PMID[19232493]
NPT329 Organism Trichophyton rubrum Trichophyton rubrum MIC = 100.0 ug.mL-1 PMID[19232493]
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes MIC = 100.0 ug.mL-1 PMID[19232493]
NPT20 Organism Candida albicans Candida albicans MIC > 250.0 ug.mL-1 PMID[19232493]
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC > 250.0 ug.mL-1 PMID[19232493]
NPT332 Organism Human immunodeficiency virus type 2 (ISOLATE ROD) Human immunodeficiency virus type 2 (ISOLATE ROD) EC50 > 10000.0 nM PMID[25617695]
NPT20 Organism Candida albicans Candida albicans MIC > 252500.0 nM PMID[32639158]
NPT29323 Organism Pichia kudriavzevii Pichia kudriavzevii FICI = 0.1 n.a. PMID[31244146]
NPT29323 Organism Pichia kudriavzevii Pichia kudriavzevii IC50 = 1.0 nM PMID[31244146]
NPT29323 Organism Pichia kudriavzevii Pichia kudriavzevii IC50 = 15.0 ug.mL-1 PMID[31244146]
NPT328 Organism Epidermophyton floccosum Epidermophyton floccosum MIC = 100.0 ug.mL-1 PMID[19232493]
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans MIC > 250.0 ug.mL-1 PMID[19232493]
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MIC > 250.0 ug.mL-1 PMID[19232493]
NPT185 Organism Aspergillus flavus Aspergillus flavus MIC > 250.0 ug.mL-1 PMID[19232493]
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 > 10000.0 nM PMID[25617695]
NPT20950 Cell line Erythrocyte n.a. IC50 = 1000000.0 nM PMID[29631958]
NPT20950 Cell line Erythrocyte n.a. IC50 = 1240000.0 nM PMID[29631958]
NPT29084 Organism Nakaseomyces glabratus Nakaseomyces glabratus FICI = 0.5 n.a. PMID[31244146]
NPT29084 Organism Nakaseomyces glabratus Nakaseomyces glabratus IC50 = 2.5 nM PMID[31244146]
NPT29084 Organism Nakaseomyces glabratus Nakaseomyces glabratus Ratio IC50 = 100.0 n.a. PMID[31244146]
NPT29084 Organism Nakaseomyces glabratus Nakaseomyces glabratus IC50 = 15.0 ug.mL-1 PMID[31244146]
NPT186 Organism Candida tropicalis Candida tropicalis MIC > 250.0 ug.mL-1 PMID[19232493]

In vivo activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT20529 Non-molecular NON-PROTEIN TARGET n.a. Survival = 55.7 % PMID[25074815]
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 43.67 mg PMID[33711444]





 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 NPC1321 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
0.7742 Intermediate Similarity NPC304929
0.7273 Intermediate Similarity NPC156124
0.6897 Remote Similarity NPC264145
0.6875 Remote Similarity NPC226855
0.6857 Remote Similarity NPC604243
0.6667 Remote Similarity NPC156892
0.5833 Remote Similarity NPC601554
0.5758 Remote Similarity NPC27633
0.561 Remote Similarity NPC610546
0.5581 Remote Similarity NPC18646
0.5476 Remote Similarity NPC226738
0.5349 Remote Similarity NPC225036
0.5111 Remote Similarity NPC229036
0.5111 Remote Similarity NPC190587
0.5106 Remote Similarity NPC221249

Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC1321 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
0.7742 Intermediate Similarity NPD230 Phase 1
0.5758 Remote Similarity NPD9545 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