Natural Product: NPC86856

Natural Product IDNPC86856
Common Name
?
The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
 QMXLZUOHZGYGDY-JPRWIHHQSA-N
IUPAC Name n.a.
Synonyms
Synthetic Gene Cluster n.a.
ChEMBL Identifier CHEMBL456946
PubChem CID NA
Chemical Classification
  • CHEMONTID:0000000 [Organic compounds]

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 QMXLZUOHZGYGDY-JPRWIHHQSA-N
Standard InCHI InChI=1S/C13H20O3/c1-9(14)5-6-11-12(2,3)7-10(15)8-13(11,4)16/h5,10,15-16H,7-8H2,1-4H3/t6-,10+,13-/m1/s1
SMILES CC(=O)C=C=C1C(C)(C)C[C@@H](C[C@@]1(C)O)O

  Calculated Properties

Physi-Chem Properties

Molecular Weight:   224.14 Volume:   243.309
?
Van der Waals volume.
Dense:   0.921 LogP:   0.976
?
The logarithm of the n-octanol/water distribution coefficients.
logD7.4:   1.02
?
The logarithm of the n-octanol/water distribution coefficient at pH=7.4.
 LogS:   -1.364
?
The logarithm of aqueous solubility value.
Rotatable Bonds:   1.0 Rigid Bonds:   9.0
TPSA:   57.53
?
Topological Polar Surface Area.
 H-Bond Acceptor:   3.0
H-Bond Donor:   2.0 Rings:   1.0
Heavy Atoms:   3.0

MedChem Properties

QED Drug-Likeness Score:   0.525 GASA:   1.0
?
GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:   4.285 Fsp3:   0.692
MCE-18:   29.455
?
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:   0 PAINS Alert:   0
Colloidal aggregators:   0.115 Fluc inhibitor:   0.02
?
The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:   0.007
?
The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1
 Green fluorescence:   0.015
?
The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:   0.818 Promiscuous compounds:   0.537

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:   -4.862 MDCK Permeability:   -4.785
Pgp-inhibitor:   0.003 Pgp-substrate:   0.352
PAMPA:   0.996
?
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):   0.013
20% Bioavailability (F20%):   0.477 30% Bioavailability (F30%):   0.06
50% Bioavailability (F50%):   0.983

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):   0.02 MRP1:   0.858
Plasma Protein Binding (PPB):   80.286% Volume Distribution (VD):   0.216
Fu: 15.323%
?
The fraction unbound in plasms.
 OATP1B1 inhibitor:   0.952
OATP1B3 inhibitor:   0.925 BCRP inhibitor:   0.007
BSEP inhibitor:   0.556

ADMET: Metabolism

CYP1A2-inhibitor:   0.004 CYP1A2-substrate:   0.029
CYP2C19-inhibitor:   0.041 CYP2C19-substrate:   0.0
CYP2C9-inhibitor:   0.001 CYP2C9-substrate:   0.009
CYP2D6-inhibitor:   0.0 CYP2D6-substrate:   0.053
CYP3A4-inhibitor:   0.449 CYP3A4-substrate:   0.417
CYP2B6-substrate:   0.0 CYP2C8-inhibitor:   0.034
HLM stability:   0.003
?
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):  6.038 Half-life (T1/2):  1.274

ADMET: Toxicity

hERG Blockers:  0.025 hERG Blockers (10um):  0.282
Human Hepatotoxicity (H-HT):  0.535 Drug-induced Liver Injury (DILI):  0.129
AMES Toxicity:  0.789 Rat Oral Acute Toxicity:  0.34
Maximum Recommended Daily Dose:  0.93 Skin Sensitization:  0.997
Carcinogencity:  0.779 Eye Corrosion:  0.643
Eye Irritation:  0.887 Respiratory Toxicity:  0.985
Drug-induced Neurotoxicity:  0.574 Ototoxicity:  0.562
Hematotoxicity:  0.013 Drug-induced Nephrotoxicity:  0.697
Genotoxicity:  0.056 RPMI-8226 Immunitoxicity:  0.158
A549 Cytotoxicity:  0.147 Hek293 Cytotoxicity:  0.513
BCF:   0.414
?
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:   3.072
?
48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:   4.606
?
48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].
 LC50FM:   3.815
?
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
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. Nigeria(latitude 80°N and longitude 4°E) 2005; 2006 DOI[10.1002/ejlt.201000080]
NPO20835 Medicago truncatula Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/BF00270213]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11240-015-0761-z]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11306-010-0259-y]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11306-014-0638-x]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11746-997-0093-1]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s12010-013-0354-4]
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.bse.2004.02.008]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.jarmap.2018.11.004]
NPO19975 Pycnandra acuminata Species Sapotaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.phytochem.2007.07.001]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.phytol.2008.07.007]
NPO19965 Helenium alternifolium Species Asteraceae Eukaryota n.a. aerial part n.a. DOI[10.1021/jo01271a036]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Seeds Plovdiv, Plovdiv region in South Bulgaria DOI[10.1051/CTV/20163101031]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1055/S-2006-958077]
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota n.a. n.a. n.a. DOI[10.1080/01496395.2011.635623]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1186/s40064-015-0831-z]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1501/Tarimbil_0000001065]
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota n.a. root n.a. PMID[10945272]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[11170689]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. leaf n.a. PMID[11312782]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. fruit n.a. PMID[11312782]
NPO15659 Zanthoxylum tetraspermum Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[11324918]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[11408943]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. fruit n.a. PMID[12105962]
NPO23006 Moringa stenopetala Species Moringaceae Eukaryota n.a. n.a. n.a. PMID[12709911]
NPO5140 Dipteryx odorata Species Fabaceae Eukaryota seeds n.a. n.a. PMID[12762787]
NPO5140 Dipteryx odorata Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[12762809]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. PMID[14600382]
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota n.a. n.a. n.a. PMID[15332846]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota n.a. n.a. n.a. PMID[15387648]
NPO15063 Leathesia nana Species Chordariaceae Eukaryota n.a. n.a. n.a. PMID[15497936]
NPO6412 Echinacea pallida Species Asteraceae Eukaryota root n.a. n.a. PMID[15921428]
NPO9516 Gnetum latifolium Species Gnetaceae Eukaryota stem bark Veikabu bridge along the Hiritano highway 40 km from Port Moresby, Papua New Guinea 1998-FEB PMID[16038553]
NPO6160 Vaccinium oxycoccos Species Ericaceae Eukaryota n.a. fruit n.a. PMID[16417304]
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota n.a. Amami Oshima, Kagoshima Prefecture, Japan n.a. PMID[16933862]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. Esuela Tecnica Superior de Ingenieros Agrónomos de Albacete 2007 PMID[19256538]
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota n.a. n.a. n.a. PMID[19331379]
NPO11917 Asterospicularia laurae Species Xeniidae Eukaryota n.a. n.a. n.a. PMID[19863101]
NPO17094 Sinularia depressa Species Alcyoniidae Eukaryota n.a. n.a. n.a. PMID[20121250]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[20826702]
NPO4181 Pseudoalteromonas luteoviolacea Species Pseudoalteromonadaceae Bacteria n.a. n.a. n.a. PMID[20973551]
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota n.a. n.a. n.a. PMID[21563811]
NPO20835 Medicago truncatula Species Fabaceae Eukaryota n.a. root n.a. PMID[21615146]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21800857]
NPO21278 Lysimachia clethroides Species Primulaceae Eukaryota n.a. aerial part n.a. PMID[21928797]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[22537213]
NPO17094 Sinularia depressa Species Alcyoniidae Eukaryota n.a. Hainan soft coral n.a. PMID[23357636]
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota n.a. seed n.a. PMID[23497864]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[23759170]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Stalks n.a. n.a. PMID[24521157]
NPO13847 Streptomyces avermectinius Species Streptomycetaceae Bacteria n.a. n.a. n.a. PMID[25611131]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota Twigs n.a. n.a. PMID[25894905]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota Twigs n.a. n.a. PMID[28358502]
NPO22372 Callicarpa bodinieri Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[29578342]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Seeds Benedictine Pannonhalma Archabbey, Hungary PMID[29803478]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[31433178]
NPO7562 Premna odorata Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[32521614]
NPO16857 Hypericum laricifolium Species Hypericaceae Eukaryota n.a. n.a. n.a. PMID[36365414]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[37446586]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[37570937]
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota n.a. n.a. n.a. PMID[38416335]
NPO13847 Streptomyces avermectinius Species Streptomycetaceae Bacteria n.a. n.a. n.a. PMID[464561]
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota n.a. n.a. n.a. PMID[7513747]
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota n.a. n.a. n.a. PMID[7561895]
NPO14240 Justicia ghiesbreghtiana Species Acanthaceae Eukaryota n.a. n.a. n.a. PMID[9748395]
NPO17544 Acacia adunca Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17169 Adiantum lunulatum Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16611 Alstonia spathulata Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17865 Amathia pinnata Species Vesiculariidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15552 Anacystis montana n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO10989 Annona cornifolia Species Annonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15803 Artemisia assoana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11917 Asterospicularia laurae Species Xeniidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17702 Astragalus sempervirens Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14859 Bishovia boliviensis n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO4325 Blastochloris viridis Species Hyphomicrobiaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO3964 Calostephane divaricata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO6881 Caragana aurantiaca Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8506 Cotyledon secunda Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17472 Drechslera avenae Species Pleosporaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16089 Dumortiera hirsuta Species Dumortieraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12703 Eucalyptus melliodora Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9516 Gnetum latifolium Species Gnetaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13407 Goniothalamus malayanus Species Annonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15467 Hedysarum connatum Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15227 Helipterum roseum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16857 Hypericum laricifolium Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10417 Ipomoea digitata Species Convolvulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17242 Laurencia spectabilis Species Rhodomelaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15063 Leathesia nana Species Chordariaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16369 Lepisorus ussuriensis Species Polypodiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14395 Lysimachia mauritiana Species Primulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17786 Marrubium anisodon Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16493 Nasutitermes ephratae Species Termitoidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18022 Naucleopsis ternstroemiiflora Species Moraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17400 Peltostigma guatemalense Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16731 Phoebe pittieri Species Lauraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7562 Premna odorata Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4181 Pseudoalteromonas luteoviolacea Species Pseudoalteromonadaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2507 Rumex maritimus Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21724 Sabina sargentii n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO11538 Salvia syriaca Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13167 Scutellaria amoena Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15478 Senna sophera Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17094 Sinularia depressa Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11641 Solanum laxum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13847 Streptomyces avermectinius Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO6160 Vaccinium oxycoccos Species Ericaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17633 Viguiera incana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17942 Wikstroemia retusa Species Thymelaeaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15659 Zanthoxylum tetraspermum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22698 Achillea pannonica Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO27489 Alloascoidea hylecoeti Species Alloascoideaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26325 Annulusmagnus triseptatus Species Annulatascaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22113 Anthocercis genistoides Species Solanaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO27929 Aphanamixis polystachya Species Meliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21413 Armillaria tabescens Species Physalacriaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22438 Asclepias speciosa Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22372 Callicarpa bodinieri Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22499 Corydalis flabellata Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13409 Crocus asturicus Species Iridaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21654 Cyerce cristallina Species Caliphyllidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18123 Dichapetalum madagascariense Species Dichapetalaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19891 Diospyros crassiflora Species Ebenaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20967 Doriopsilla albopunctata Species Dendrodorididae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20381 Echites hirsuta Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22756 Epimedium versicolor Species Berberidaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28103 Erica carnea Species Ericaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22953 Eupatorium pauciflorum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19965 Helenium alternifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15763 Huperzia lucidula Species Lycopodiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14240 Justicia ghiesbreghtiana Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21278 Lysimachia clethroides Species Primulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21032 Manilkara hexandra Species Sapotaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20835 Medicago truncatula Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20896 Mimosa tenuiflora Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23006 Moringa stenopetala Species Moringaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21089 Mourera fluviatilis Species Podostemaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4478 Parmelia pseudoreticulata Species Parmeliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20583 Phaulopsis imbricata Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20021 Physcia aegialita Species Physciaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20088 Piper sintenense Species Piperaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8115 Polyopes affinis Species Halymeniaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22048 Pteris palmiformis Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20522 Pyura sacciformis Species Pyuridae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21599 Ricciocarpos natans Species Ricciaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22887 Scutellaria violacea Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20457 Spirastrella inconstans Species Spirastrellidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22308 Stevia satureiaefolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20707 Stillingia sanguinolenta Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20203 Syringa komarowi Species Oleaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20261 Teucrium trifidum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20771 Thalictrum fortunei Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21221 Trapa bispinosa Species Lythraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21725 Uncaria glabrata Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21158 Viburnum fur Species Adoxaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5140 Dipteryx odorata Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO6412 Echinacea pallida Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO6856.1 Artemisia ludoviciana subsp. mexicana Subspecies Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10010 Evernia vulpina Species Parmeliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12542 Lygos raetam n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO11339 Litsea salicifolia Species Lauraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8609 Hopea utilis Species Dipterocarpaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5534 Alternaria kikuchiana Species Pleosporaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7874 Helichrysum lepidissimum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1695 Monascus pilosus Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9586 Tetracera poggei Species Dilleniaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12828 Dysidea tupha Species Dysideidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8129 Inocybe geophylla Species Inocybaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11509 Isostigma peucedanifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Leaf Essent. Oil n.a. n.a. Database[FooDB]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Root Essent. Oil n.a. n.a. Database[FooDB]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. Database[FooDB]
NPO6160 Vaccinium oxycoccos Species Ericaceae Eukaryota n.a. n.a. Database[FooDB]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Roots n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Fruits n.a. Database[FooDB]
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO13167 Scutellaria amoena Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO21221 Trapa bispinosa Species Lythraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO633 Mesembryanthemum expansum Species Aizoaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO20569 Psychotria serpens Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO5140 Dipteryx odorata Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[MetaboLights]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO6160 Vaccinium oxycoccos Species Ericaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21278 Lysimachia clethroides Species Primulaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13167 Scutellaria amoena Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21413 Armillaria tabescens Species Physalacriaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16857 Hypericum laricifolium Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21221 Trapa bispinosa Species Lythraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11641 Solanum laxum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO633 Mesembryanthemum expansum Species Aizoaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15763 Huperzia lucidula Species Lycopodiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO20569 Psychotria serpens Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO6856.1 Artemisia ludoviciana subsp. mexicana Subspecies Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15478 Senna sophera Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22438 Asclepias speciosa Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5140 Dipteryx odorata Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9516 Gnetum latifolium Species Gnetaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO13167 Scutellaria amoena Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO21221 Trapa bispinosa Species Lythraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO20569 Psychotria serpens Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO6861 Galium dasypodum Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2507 Rumex maritimus Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10417 Ipomoea digitata Species Convolvulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12703 Eucalyptus melliodora Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17094 Sinularia depressa Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21724 Sabina sargentii n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO13167 Scutellaria amoena Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO218 Acer carpinifolium Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15552 Anacystis montana n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO9516 Gnetum latifolium Species Gnetaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16857 Hypericum laricifolium Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20021 Physcia aegialita Species Physciaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11506 Stipa vaseyi Species Poaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3964 Calostephane divaricata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22820 Sarcophyton glaucum Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16611 Alstonia spathulata Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16089 Dumortiera hirsuta Species Dumortieraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16493 Nasutitermes ephratae Species Termitoidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18123 Dichapetalum madagascariense Species Dichapetalaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20771 Thalictrum fortunei Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21221 Trapa bispinosa Species Lythraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17400 Peltostigma guatemalense Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12807 Citrus aurantiifolia Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17633 Viguiera incana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16369 Lepisorus ussuriensis Species Polypodiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17169 Adiantum lunulatum Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13847 Streptomyces avermectinius Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO17942 Wikstroemia retusa Species Thymelaeaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22438 Asclepias speciosa Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26095 Hypericum revolutum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20569 Psychotria serpens Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21850 Paeonia delavayi Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15227 Helipterum roseum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15803 Artemisia assoana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13409 Crocus asturicus Species Iridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14395 Lysimachia mauritiana Species Primulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15063 Leathesia nana Species Chordariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4181 Pseudoalteromonas luteoviolacea Species Pseudoalteromonadaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO7562 Premna odorata Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15659 Zanthoxylum tetraspermum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11917 Asterospicularia laurae Species Xeniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13407 Goniothalamus malayanus Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6160 Vaccinium oxycoccos Species Ericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18022 Naucleopsis ternstroemiiflora Species Moraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21654 Cyerce cristallina Species Caliphyllidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14859 Bishovia boliviensis n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO15478 Senna sophera Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5534 Alternaria kikuchiana Species Pleosporaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17242 Laurencia spectabilis Species Rhodomelaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16731 Phoebe pittieri Species Lauraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21725 Uncaria glabrata Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19975 Pycnandra acuminata Species Sapotaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6881 Caragana aurantiaca Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1695 Monascus pilosus Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26325 Annulusmagnus triseptatus Species Annulatascaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17544 Acacia adunca Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11641 Solanum laxum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22499 Corydalis flabellata Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28103 Erica carnea Species Ericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5140 Dipteryx odorata Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11538 Salvia syriaca Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4325 Blastochloris viridis Species Hyphomicrobiaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO22048 Pteris palmiformis Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17865 Amathia pinnata Species Vesiculariidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8506 Cotyledon secunda Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23006 Moringa stenopetala Species Moringaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19965 Helenium alternifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14240 Justicia ghiesbreghtiana Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6412 Echinacea pallida Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22756 Epimedium versicolor Species Berberidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21032 Manilkara hexandra Species Sapotaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8115 Polyopes affinis Species Halymeniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12118 Cleistopholis staudtii Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22372 Callicarpa bodinieri Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20203 Syringa komarowi Species Oleaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10989 Annona cornifolia Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11339 Litsea salicifolia Species Lauraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27489 Alloascoidea hylecoeti Species Alloascoideaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17786 Marrubium anisodon Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22887 Scutellaria violacea Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12602 Leuzea centauroides Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20583 Phaulopsis imbricata Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20088 Piper sintenense Species Piperaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17702 Astragalus sempervirens Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15467 Hedysarum connatum Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO940 Vernonia anisochaetoides Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21278 Lysimachia clethroides Species Primulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12828 Dysidea tupha Species Dysideidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21089 Mourera fluviatilis Species Podostemaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20381 Echites hirsuta Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4759 Helleborus multifidus Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21599 Ricciocarpos natans Species Ricciaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20835 Medicago truncatula Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22113 Anthocercis genistoides Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22953 Eupatorium pauciflorum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21158 Viburnum fur Species Adoxaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17472 Drechslera avenae Species Pleosporaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27929 Aphanamixis polystachya Species Meliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16333 Chenopodium album Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10970 Osmorhiza aristata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8129 Inocybe geophylla Species Inocybaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7874 Helichrysum lepidissimum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20896 Mimosa tenuiflora Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4322 Scabiosa succisa Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20522 Pyura sacciformis Species Pyuridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO633 Mesembryanthemum expansum Species Aizoaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20261 Teucrium trifidum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4478 Parmelia pseudoreticulata Species Parmeliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20457 Spirastrella inconstans Species Spirastrellidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19891 Diospyros crassiflora Species Ebenaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21413 Armillaria tabescens Species Physalacriaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20967 Doriopsilla albopunctata Species Dendrodorididae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6856.1 Artemisia ludoviciana subsp. mexicana Subspecies Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8609 Hopea utilis Species Dipterocarpaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22698 Achillea pannonica Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22308 Stevia satureiaefolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15763 Huperzia lucidula Species Lycopodiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10010 Evernia vulpina Species Parmeliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20707 Stillingia sanguinolenta Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11509 Isostigma peucedanifolium Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9586 Tetracera poggei Species Dilleniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12542 Lygos raetam n.a. n.a. n.a. 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

Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].



 Biological Activity

Molecular-level activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference

In vitro activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT364 Organism Lactuca sativa Lactuca sativa Activity = 30.0 % PMID[15387648]
NPT364 Organism Lactuca sativa Lactuca sativa Activity = 20.0 % PMID[15387648]

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 NPC86856 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

Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC86856 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

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