Natural Product: NPC26080

Natural Product IDNPC26080
Common Name
?
The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
Gob C
IUPAC Name (2S,3R,4S,5S,6R)-2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms
Synthetic Gene Cluster n.a.
ChEMBL Identifier CHEMBL478753
PubChem CID 5322089
Chemical Classification
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000261] Phenylpropanoids and polyketides
      • [CHEMONTID:0000253] Stilbenes
        • [CHEMONTID:0000142] Stilbene glycosides

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 RUOKEYJFAJITAG-CUYWLFDKSA-N
Standard InCHI InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-5-3-11(4-6-15)1-2-12-7-13(22)9-14(23)8-12/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)/C=C/c2cc(O)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O

  Calculated Properties

Physi-Chem Properties

Molecular Weight:   390.13 Volume:   380.673
?
Van der Waals volume.
Dense:   1.025 LogP:   1.505
?
The logarithm of the n-octanol/water distribution coefficients.
logD7.4:   1.747
?
The logarithm of the n-octanol/water distribution coefficient at pH=7.4.
LogS:   -3.338
?
The logarithm of aqueous solubility value.
Rotatable Bonds:   5.0 Rigid Bonds:   19.0
TPSA:   139.84
?
Topological Polar Surface Area.
H-Bond Acceptor:   8.0
H-Bond Donor:   6.0 Rings:   3.0
Heavy Atoms:   8.0

MedChem Properties

QED Drug-Likeness Score:   0.405 GASA:   0.0
?
GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:   3.666 Fsp3:   0.3
MCE-18:   64.308
?
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:   0.666 Fluc inhibitor:   0.998
?
The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:   0.089
?
The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1
Green fluorescence:   0.541
?
The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:   0.515 Promiscuous compounds:   0.293

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:   -6.238 MDCK Permeability:   -5.146
Pgp-inhibitor:   0.0 Pgp-substrate:   0.005
PAMPA:   0.945
?
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):   0.062
20% Bioavailability (F20%):   0.932 30% Bioavailability (F30%):   0.994
50% Bioavailability (F50%):   0.988

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):   0.019 MRP1:   0.001
Plasma Protein Binding (PPB):   78.308% Volume Distribution (VD):   -0.176
Fu: 23.458%
?
The fraction unbound in plasms.
OATP1B1 inhibitor:   1.0
OATP1B3 inhibitor:   1.0 BCRP inhibitor:   0.338
BSEP inhibitor:   0.123

ADMET: Metabolism

CYP1A2-inhibitor:   0.001 CYP1A2-substrate:   0.0
CYP2C19-inhibitor:   0.0 CYP2C19-substrate:   0.0
CYP2C9-inhibitor:   0.0 CYP2C9-substrate:   0.0
CYP2D6-inhibitor:   0.433 CYP2D6-substrate:   0.082
CYP3A4-inhibitor:   0.0 CYP3A4-substrate:   0.519
CYP2B6-substrate:   0.0 CYP2C8-inhibitor:   1.0
HLM stability:   0.297
?
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):  2.57 Half-life (T1/2):  2.979

ADMET: Toxicity

hERG Blockers:  0.084 hERG Blockers (10um):  0.305
Human Hepatotoxicity (H-HT):  0.709 Drug-induced Liver Injury (DILI):  0.555
AMES Toxicity:  0.892 Rat Oral Acute Toxicity:  0.062
Maximum Recommended Daily Dose:  0.197 Skin Sensitization:  0.965
Carcinogencity:  0.145 Eye Corrosion:  0.0
Eye Irritation:  0.754 Respiratory Toxicity:  0.027
Drug-induced Neurotoxicity:  0.022 Ototoxicity:  0.74
Hematotoxicity:  0.051 Drug-induced Nephrotoxicity:  0.621
Genotoxicity:  0.795 RPMI-8226 Immunitoxicity:  0.156
A549 Cytotoxicity:  0.549 Hek293 Cytotoxicity:  0.619
BCF:   1.171
?
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:   3.51
?
48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:   5.316
?
48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].
LC50FM:   4.422
?
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]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11164-015-2099-x]
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]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/j.phytol.2008.07.007]
NPO12079 Dysoxylum cumingianum Species Meliaceae Eukaryota n.a. leaf n.a. DOI[10.1021/jo00051a050]
NPO17593 Pinus sylvestris Species Pinaceae Eukaryota n.a. n.a. n.a. DOI[10.1023/A:1025674116183]
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]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. n.a. n.a. DOI[10.1134/S1021443711030101]
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]
NPO21244 Delphinium nuttallianum Species Ranunculaceae Eukaryota n.a. n.a. n.a. PMID[10978210]
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota n.a. n.a. n.a. PMID[11076555]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[11170689]
NPO6836 Alpinia blepharocalyx Species Zingiberaceae Eukaryota seeds Mengha, Yunnan Province, China 1991-Aug PMID[11277741]
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]
NPO6836 Alpinia blepharocalyx Species Zingiberaceae Eukaryota seeds n.a. n.a. PMID[11325233]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[11408943]
NPO6836 Alpinia blepharocalyx Species Zingiberaceae Eukaryota Seeds n.a. n.a. PMID[11430002]
NPO14520 Bassia muricata Species Chenopodiaceae Eukaryota n.a. aerial part n.a. PMID[11454355]
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota Roots n.a. n.a. PMID[11459643]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. fruit n.a. PMID[12105962]
NPO3261 Aplysina archeri Species Aplysinidae Eukaryota n.a. n.a. n.a. PMID[1324982]
NPO6457 Pinus strobus Species Pinaceae Eukaryota n.a. heartwood n.a. PMID[13465274]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. PMID[14600382]
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota n.a. n.a. n.a. PMID[1517743]
NPO17593 Pinus sylvestris Species Pinaceae Eukaryota n.a. n.a. n.a. PMID[1536925]
NPO15063 Leathesia nana Species Chordariaceae Eukaryota n.a. n.a. n.a. PMID[15497936]
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]
NPO14054 Penicillium janczewskii Species Aspergillaceae Eukaryota n.a. n.a. n.a. PMID[16180822]
NPO6160 Vaccinium oxycoccos Species Ericaceae Eukaryota n.a. fruit n.a. PMID[16417304]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. root n.a. PMID[16441081]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[16675659]
NPO422 Euphorbia cornigera Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[17512094]
NPO21244 Delphinium nuttallianum Species Ranunculaceae Eukaryota n.a. n.a. n.a. PMID[19012276]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. Esuela Tecnica Superior de Ingenieros Agrónomos de Albacete 2007 PMID[19256538]
NPO422 Euphorbia cornigera Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[19376614]
NPO12477 Dodonaea viscosa Species Sapindaceae Eukaryota n.a. n.a. n.a. PMID[19719093]
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]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21800857]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. root n.a. PMID[22074222]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[22074222]
NPO12477 Dodonaea viscosa Species Sapindaceae Eukaryota n.a. n.a. n.a. PMID[22512738]
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]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. PMID[23759170]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. rhizome n.a. PMID[23867078]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. root n.a. PMID[23867078]
NPO17593 Pinus sylvestris Species Pinaceae Eukaryota n.a. seed n.a. PMID[24225786]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[24479468]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Stalks n.a. n.a. PMID[24521157]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota roots n.a. n.a. PMID[24957203]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[25445757]
NPO19996 Caulerpa peltata Species Caulerpaceae Eukaryota n.a. n.a. n.a. PMID[25593390]
NPO13847 Streptomyces avermectinius Species Streptomycetaceae Bacteria n.a. n.a. n.a. PMID[25611131]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[25744461]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota Twigs n.a. n.a. PMID[25894905]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[26841168]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota Twigs n.a. n.a. PMID[28358502]
NPO13237 Teucrium yemense Species n.a. n.a. Aerial Parts n.a. n.a. PMID[28581290]
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]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[32196343]
NPO7562 Premna odorata Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[32521614]
NPO2697 Monodora tenuifolia Species Annonaceae Eukaryota n.a. n.a. n.a. PMID[3509958]
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]
NPO11747 Ocimum tenuiflorum Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[39073007]
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]
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota n.a. n.a. n.a. PMID[8277318]
NPO6836 Alpinia blepharocalyx Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[9461664]
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]
NPO17336 Benincasa hispida Species Cucurbitaceae 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]
NPO10359 Chaiturus marrubiastrum Species Lamiaceae 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]
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]
NPO20881 Rheum officinale Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19818 Jacquemontia paniculata Species Convolvulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO6836 Alpinia blepharocalyx Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14248 Mandragora autumnalis Species Solanaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20223 Rosa pomifera Species Rosaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12477 Dodonaea viscosa Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7786 Lentinus tigrinus Species Lentinaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10026 Mitracarpus scaber Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO6457 Pinus strobus Species Pinaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24089 Alcea rosea Species Malvaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4274 Alcyonium utinomii Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5584 Aldisa sanguinea Species Dorididae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4564 Anguilla japonica Species Anguillidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3554 Aonidiella aurantii Species Diaspididae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3261 Aplysina archeri Species Aplysinidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18993 Araiostegiella perdurans Species Davalliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5975 Aspergillus carneus Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25760 Aspergillus striatus Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1242 Balanops australiana Species Balanopaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO6231 Cortinarius odoratus Species Cortinariaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7449 Eleutherobia albiflora Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7007 Eucalyptus jenseni Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO849 Euonymus tingens Species Celastraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO422 Euphorbia cornigera Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15487 Gymnopus confluens Species Omphalotaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2250 Hylocomium splendens Species Hylocomiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO295 Kokoona reflexa Species Celastraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7760 Macrolepiota neomastoidea Species Agaricaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3956 Maesa ramentacea Species Primulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1390 Melolontha melolontha Species Scarabaeidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2408 Millettia laurentii Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2697 Monodora tenuifolia Species Annonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2993 Nototodarus sloanii Species Ommastrephidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11747 Ocimum tenuiflorum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14054 Penicillium janczewskii Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17593 Pinus sylvestris Species Pinaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8058 Pluchea odorata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1489 Pseudoplexaura flagellosa Species Plexauridae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7606 Salacia lehmbachii Species Celastraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4949 Salvia yosgadensis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3743 Sideritis brevibracteata Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5261 Sideroxylon cubense Species Sapotaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3408 Viguiera decurrens Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14304 Physalis alkekengi Species Solanaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7819.1 Epichloe festucae var. lolii Varieties Clavicipitaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15297 Aconitum seravschanicum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13716 Aconitum tasiromontanum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14217 Adansonia grandidieri Species Malvaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14412 Aphyllocladus denticulatus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2631 Aster sedifolius Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14520 Bassia muricata Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4345 Caulocystis cephalornithos Species Sargassaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16590 Cytophaga hutchinsoni Species Cytophagaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO14104 Dendriopoterium menendezii Species Rosaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9448 Dictyopteris australis Species Dictyotaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12079 Dysoxylum cumingianum Species Meliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8386 Enceliopsis argophylla Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11749 Eria mollis Species Orchidaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14014 Eriocheir sinensis Species Varunidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10688 Flacourtia jangomas Species Salicaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13403 Gadus morhua callarias Species Gadidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO624 Isaria fumosorosea Species Cordycipitaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22526 Justicia secunda Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3214 Lavandula vera Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9752 Miliusa velutina Species Annonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13523 Neobalanocarpus heimii Species Dipterocarpaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11580 Onobrychis arenaria Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12252 Psychotria stachyoides Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO986 Rattus rattus Species Muridae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2198 Rivularia firma Species Rivulariaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO1501 Senecio subdentatus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13421 Sphaerella laricina n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO13237 Teucrium yemense Species n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO22675 Helichrysum chionosphaerum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20490 Erythrophleum ivorense Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18144 Metrodorea nigra Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19037 Senecio praecox Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20422 Albizia myriophylla Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21244 Delphinium nuttallianum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26393.1 Petunia integrifolia subsp. inflata Subspecies Solanaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17018 Salvia greggii Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20753 Grangea maderaspatana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21691 Dillenia indica Species Dilleniaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13454 Amphorogyne spicata Species Amphorogynaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26917 Quercus rubra Species Fagaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16142 Verbascum thapsiforme Species Scrophulariaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15422 Carduus tenuiflorus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20144 Lespedeza tomentosa Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18287 Penicillium bilaiae Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO17336 Benincasa hispida Species Cucurbitaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota Fruit 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]
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]
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]
NPO17336 Benincasa hispida Species Cucurbitaceae 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]
NPO7154 Glycyrrhiza uralensis Species Fabaceae 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]
NPO14014 Eriocheir sinensis Species Varunidae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO6836 Alpinia blepharocalyx Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO20881 Rheum officinale Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17336 Benincasa hispida Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO12477 Dodonaea viscosa Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO4564 Anguilla japonica Species Anguillidae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14685 Swertia franchetiana Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17593 Pinus sylvestris Species Pinaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO20144 Lespedeza tomentosa Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO20490 Erythrophleum ivorense Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14304 Physalis alkekengi Species Solanaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26917 Quercus rubra Species Fagaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17024 Vitis vinifera Species Vitaceae Eukaryota n.a. n.a. n.a. Database[MetaboLights]
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]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO20881 Rheum officinale Species Polygonaceae 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]
NPO20144 Lespedeza tomentosa Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO6836 Alpinia blepharocalyx Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12477 Dodonaea viscosa Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14304 Physalis alkekengi Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26917 Quercus rubra Species Fagaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17018 Salvia greggii Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13167 Scutellaria amoena Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17336 Benincasa hispida Species Cucurbitaceae 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]
NPO16857 Hypericum laricifolium Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11641 Solanum laxum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15297 Aconitum seravschanicum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO20490 Erythrophleum ivorense Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2408 Millettia laurentii Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4564 Anguilla japonica Species Anguillidae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17593 Pinus sylvestris Species Pinaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13754 Tanacetum coccineum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO24089 Alcea rosea Species Malvaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21691 Dillenia indica Species Dilleniaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2228 Photinia serratifolia Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14014 Eriocheir sinensis Species Varunidae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9516 Gnetum latifolium Species Gnetaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO20881 Rheum officinale Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO17593 Pinus sylvestris Species Pinaceae 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]
NPO20490 Erythrophleum ivorense Species Fabaceae 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]
NPO12477 Dodonaea viscosa Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO17336 Benincasa hispida Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO14014 Eriocheir sinensis Species Varunidae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO20881 Rheum officinale Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO14304 Physalis alkekengi Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO24089 Alcea rosea Species Malvaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO17336 Benincasa hispida Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO16590 Cytophaga hutchinsoni Species Cytophagaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO2631 Aster sedifolius Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10026 Mitracarpus scaber 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]
NPO422 Euphorbia cornigera Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12252 Psychotria stachyoides Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO849 Euonymus tingens Species Celastraceae 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]
NPO20947 Tagetes filifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13167 Scutellaria amoena Species Lamiaceae 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]
NPO12108 Aizopsis selskiana Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11747 Ocimum tenuiflorum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2697 Monodora tenuifolia Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3964 Calostephane divaricata Species Asteraceae 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]
NPO12477 Dodonaea viscosa Species Sapindaceae 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]
NPO14014 Eriocheir sinensis Species Varunidae 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]
NPO13754 Tanacetum coccineum Species Asteraceae 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]
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19512 Gleichenia quadripartita Species Gleicheniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO947 Rauvolfia vomitoria Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16572 Rhododendron dahuricum Species Ericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO624 Isaria fumosorosea Species Cordycipitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17593 Pinus sylvestris Species Pinaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15227 Helipterum roseum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14054 Penicillium janczewskii Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15803 Artemisia assoana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2993 Nototodarus sloanii Species Ommastrephidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6231 Cortinarius odoratus Species Cortinariaceae 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]
NPO21691 Dillenia indica Species Dilleniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4181 Pseudoalteromonas luteoviolacea Species Pseudoalteromonadaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO7786 Lentinus tigrinus Species Lentinaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3956 Maesa ramentacea Species Primulaceae Eukaryota 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]
NPO7606 Salacia lehmbachii Species Celastraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7007 Eucalyptus jenseni Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14412 Aphyllocladus denticulatus Species Asteraceae 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]
NPO5261 Sideroxylon cubense Species Sapotaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2250 Hylocomium splendens Species Hylocomiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO295 Kokoona reflexa Species Celastraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20144 Lespedeza tomentosa Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3261 Aplysina archeri Species Aplysinidae 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]
NPO8386 Enceliopsis argophylla Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21244 Delphinium nuttallianum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13454 Amphorogyne spicata Species Amphorogynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5975 Aspergillus carneus Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18993 Araiostegiella perdurans Species Davalliaceae 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]
NPO9448 Dictyopteris australis Species Dictyotaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2408 Millettia laurentii Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13237 Teucrium yemense Species n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15487 Gymnopus confluens Species Omphalotaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4949 Salvia yosgadensis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20881 Rheum officinale Species Polygonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3743 Sideritis brevibracteata Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20560 Polyporus betulinus Species Polyporaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7449 Eleutherobia albiflora Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6881 Caragana aurantiaca Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14520 Bassia muricata Species Chenopodiaceae 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]
NPO8058 Pluchea odorata Species Asteraceae 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]
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]
NPO19818 Jacquemontia paniculata Species Convolvulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17018 Salvia greggii Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20625 Delphinium virgatum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1390 Melolontha melolontha Species Scarabaeidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21376 Lupinus corymbosus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14304 Physalis alkekengi Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25760 Aspergillus striatus Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18867 Stephanitis takeyai Species Tingidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4345 Caulocystis cephalornithos Species Sargassaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2198 Rivularia firma Species Rivulariaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO14800 Oophaga granulifera Species Dendrobatidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13523 Neobalanocarpus heimii Species Dipterocarpaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5584 Aldisa sanguinea Species Dorididae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19037 Senecio praecox Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11580 Onobrychis arenaria Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10989 Annona cornifolia Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3214 Lavandula vera Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17856 Anaphalis lactea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14217 Adansonia grandidieri Species Malvaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18144 Metrodorea nigra Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17786 Marrubium anisodon Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19996 Caulerpa peltata Species Caulerpaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14932.1 Dalbergia lanceolaria subsp. paniculata Subspecies Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21564 Senecio behnii Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6836 Alpinia blepharocalyx Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2228 Photinia serratifolia Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17702 Astragalus sempervirens Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14248 Mandragora autumnalis Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13246 Pinalia stricta Species Orchidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1242 Balanops australiana Species Balanopaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24089 Alcea rosea Species Malvaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3554 Aonidiella aurantii Species Diaspididae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15467 Hedysarum connatum Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26393.1 Petunia integrifolia subsp. inflata Subspecies Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7819.1 Epichloe festucae var. lolii Varieties Clavicipitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20844 Sphaerella rosigena n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO12079 Dysoxylum cumingianum Species Meliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10688 Flacourtia jangomas Species Salicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17568 Balanophora laxiflora Species Balanophoraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19232 Anchusa azurea Species Boraginaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15297 Aconitum seravschanicum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13716 Aconitum tasiromontanum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17472 Drechslera avenae Species Pleosporaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19671 Dipsacus azureus Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4564 Anguilla japonica Species Anguillidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1501 Senecio subdentatus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7760 Macrolepiota neomastoidea Species Agaricaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22675 Helichrysum chionosphaerum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15422 Carduus tenuiflorus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22526 Justicia secunda Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19395 Nepeta granatensis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20223 Rosa pomifera Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6457 Pinus strobus Species Pinaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4274 Alcyonium utinomii Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20753 Grangea maderaspatana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16142 Verbascum thapsiforme Species Scrophulariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3408 Viguiera decurrens Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24407 Bipolaris heveae Species Pleosporaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1489 Pseudoplexaura flagellosa Species Plexauridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14104 Dendriopoterium menendezii Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18287 Penicillium bilaiae Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17336 Benincasa hispida Species Cucurbitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21112 Chaetomium carinthiacum Species Chaetomiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10216 Leptocereus quadricostatus Species Cactaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13403 Gadus morhua callarias Species Gadidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20353 Degenia velebitica Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13421 Sphaerella laricina n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO9752 Miliusa velutina Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10359 Chaiturus marrubiastrum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20422 Albizia myriophylla Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27737 Penicillium shearii Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19913 Rhynchophorus ferrugineus Species Curculionidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26917 Quercus rubra Species Fagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11749 Eria mollis Species Orchidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO986 Rattus rattus Species Muridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20490 Erythrophleum ivorense Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11391 Polygonum cuspidatum Species Polygonaceae 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

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
NPT1284 Protein family Protein kinase C (PKC) Rattus norvegicus IC50 = 3.0 ug.mL-1 PMID[8277318]
NPT43 Individual protein Tyrosinase Agaricus bisporus Ratio IC50 = 73.0 n.a. PMID[31655335]
NPT43 Individual protein Tyrosinase Agaricus bisporus IC50 = 19000.0 nM PMID[31655335]

In vitro activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT169 Cell line B16-F10 Mus musculus Activity = 25.0 % PMID[31655335]
NPT169 Cell line B16-F10 Mus musculus Activity = 50.0 % PMID[31655335]
NPT169 Cell line B16-F10 Mus musculus Activity = 65.0 % PMID[31655335]
NPT2 Others Unspecified n.a. IC50 = 200.0 ug.mL-1 PMID[8277318]
NPT2 Others Unspecified n.a. Inhibition = 11.0 % PMID[20452207]

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 NPC26080 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
1.0 High Similarity NPC165686
0.8 Intermediate Similarity NPC59324
0.7586 Intermediate Similarity NPC604095
0.7414 Intermediate Similarity NPC294166
0.7414 Intermediate Similarity NPC115022
0.7119 Intermediate Similarity NPC65530
0.678 Remote Similarity NPC85799
0.678 Remote Similarity NPC303422
0.678 Remote Similarity NPC218003
0.6721 Remote Similarity NPC8497
0.6667 Remote Similarity NPC479028
0.6667 Remote Similarity NPC200092
0.6667 Remote Similarity NPC479031
0.6557 Remote Similarity NPC252169
0.6552 Remote Similarity NPC214910
0.6508 Remote Similarity NPC98777
0.6389 Remote Similarity NPC152346
0.6389 Remote Similarity NPC197703
0.6346 Remote Similarity NPC212729
0.6346 Remote Similarity NPC142319
0.6346 Remote Similarity NPC604498
0.629 Remote Similarity NPC242028
0.629 Remote Similarity NPC203230
0.6226 Remote Similarity NPC269242
0.6182 Remote Similarity NPC60589
0.6182 Remote Similarity NPC469708
0.6154 Remote Similarity NPC259767
0.6133 Remote Similarity NPC23431
0.6119 Remote Similarity NPC185103
0.6111 Remote Similarity NPC294470
0.6102 Remote Similarity NPC251102
0.6102 Remote Similarity NPC210298
0.6102 Remote Similarity NPC604356
0.6 Remote Similarity NPC212770
0.6 Remote Similarity NPC481303
0.5921 Remote Similarity NPC157396
0.5893 Remote Similarity NPC609376
0.5846 Remote Similarity NPC260681
0.5789 Remote Similarity NPC12308
0.5696 Remote Similarity NPC59692
0.5692 Remote Similarity NPC186418
0.5692 Remote Similarity NPC185778
0.569 Remote Similarity NPC80098
0.5672 Remote Similarity NPC295970
0.5645 Remote Similarity NPC479029
0.5636 Remote Similarity NPC484157
0.5625 Remote Similarity NPC100389
0.5584 Remote Similarity NPC233467
0.5538 Remote Similarity NPC469661
0.5507 Remote Similarity NPC186406
0.55 Remote Similarity NPC40377
0.55 Remote Similarity NPC310661
0.5455 Remote Similarity NPC479030
0.5455 Remote Similarity NPC202700
0.5441 Remote Similarity NPC57587
0.5385 Remote Similarity NPC478871
0.5385 Remote Similarity NPC478870
0.5385 Remote Similarity NPC478872
0.5385 Remote Similarity NPC478873
0.5362 Remote Similarity NPC606353
0.5352 Remote Similarity NPC488085
0.5342 Remote Similarity NPC168358
0.5333 Remote Similarity NPC214454
0.5323 Remote Similarity NPC23084
0.5323 Remote Similarity NPC19470
0.5312 Remote Similarity NPC106025
0.5294 Remote Similarity NPC296920
0.5294 Remote Similarity NPC90520
0.5294 Remote Similarity NPC475084
0.5283 Remote Similarity NPC228907
0.5263 Remote Similarity NPC192810
0.5231 Remote Similarity NPC97326
0.5211 Remote Similarity NPC88484
0.5172 Remote Similarity NPC9248
0.5172 Remote Similarity NPC152722
0.5167 Remote Similarity NPC221090
0.5167 Remote Similarity NPC145900
0.5161 Remote Similarity NPC218685
0.5156 Remote Similarity NPC248355
0.5152 Remote Similarity NPC199335
0.5152 Remote Similarity NPC478888
0.5152 Remote Similarity NPC477240
0.5143 Remote Similarity NPC5029
0.5139 Remote Similarity NPC26195
0.5128 Remote Similarity NPC100936
0.5128 Remote Similarity NPC1253
0.5085 Remote Similarity NPC604439
0.5082 Remote Similarity NPC166168
0.5079 Remote Similarity NPC205054
0.5077 Remote Similarity NPC222455
0.5077 Remote Similarity NPC55040
0.5075 Remote Similarity NPC190217
0.5072 Remote Similarity NPC210192
0.5072 Remote Similarity NPC189115
0.5068 Remote Similarity NPC149244
0.5068 Remote Similarity NPC48640

Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC26080 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
NPD

Bioactivity similarity

  Bioactivity similarity

Similar Natural Products in NPASS

Similarity level is defined by Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
A: chemistry similarity;
B: biological targets similarity;
C: networks similarity;
D: cell-based bioactivity similarity;
E: similarity based on clinical data.
Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity
B: biological targets similarity
C: networks similarity
D: cell-based bioactivity similarity
E: similarity based on clinical data