Natural Product: NPC143799

Natural Product IDNPC143799
Common Name
?
The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
Rhamnocitrin
IUPAC Name 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Synonyms Rhamnocitrin
Synthetic Gene Cluster n.a.
ChEMBL Identifier CHEMBL442289
PubChem CID 5320946
Chemical Classification
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000261] Phenylpropanoids and polyketides
      • [CHEMONTID:0000334] Flavonoids
        • [CHEMONTID:0001615] Flavones
          • [CHEMONTID:0001136] Flavonols

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 MQSZRBPYXNEFHF-UHFFFAOYSA-N
Standard InCHI InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
SMILES COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(cc1)O

  Calculated Properties

Physi-Chem Properties

Molecular Weight:   300.06 Volume:   291.273
?
Van der Waals volume.
Dense:   1.03 LogP:   2.37
?
The logarithm of the n-octanol/water distribution coefficients.
logD7.4:   2.302
?
The logarithm of the n-octanol/water distribution coefficient at pH=7.4.
LogS:   -4.098
?
The logarithm of aqueous solubility value.
Rotatable Bonds:   2.0 Rigid Bonds:   18.0
TPSA:   100.13
?
Topological Polar Surface Area.
H-Bond Acceptor:   6.0
H-Bond Donor:   3.0 Rings:   3.0
Heavy Atoms:   6.0

MedChem Properties

QED Drug-Likeness Score:   0.672 GASA:   1.0
?
GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:   2.289 Fsp3:   0.062
MCE-18:   18.0
?
MCE-18 stands for medicinal chemistry evolution.MCE-18≥45 is considered a suitable value.
Lipinski Rule-of-5:   Rejected
Pfizer Rule:   Rejected GSK Rule:   Rejected
Golden Triangle Rule:   Rejected BMS Rule:   0
Chelating Alert:   1 PAINS Alert:   0
Colloidal aggregators:   0.687 Fluc inhibitor:   0.955
?
The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:   0.935
?
The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1
Green fluorescence:   0.635
?
The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:   0.522 Promiscuous compounds:   0.936

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:   -5.179 MDCK Permeability:   -4.815
Pgp-inhibitor:   0.84 Pgp-substrate:   0.063
PAMPA:   0.319
?
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):   0.103
20% Bioavailability (F20%):   0.035 30% Bioavailability (F30%):   0.435
50% Bioavailability (F50%):   0.956

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):   0.001 MRP1:   0.665
Plasma Protein Binding (PPB):   98.079% Volume Distribution (VD):   -0.655
Fu: 1.487%
?
The fraction unbound in plasms.
OATP1B1 inhibitor:   0.992
OATP1B3 inhibitor:   0.999 BCRP inhibitor:   0.981
BSEP inhibitor:   0.906

ADMET: Metabolism

CYP1A2-inhibitor:   0.784 CYP1A2-substrate:   0.799
CYP2C19-inhibitor:   0.007 CYP2C19-substrate:   0.957
CYP2C9-inhibitor:   0.872 CYP2C9-substrate:   0.007
CYP2D6-inhibitor:   0.945 CYP2D6-substrate:   0.946
CYP3A4-inhibitor:   0.0 CYP3A4-substrate:   0.003
CYP2B6-substrate:   0.0 CYP2C8-inhibitor:   0.994
HLM stability:   0.981
?
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):  6.825 Half-life (T1/2):  1.149

ADMET: Toxicity

hERG Blockers:  0.091 hERG Blockers (10um):  0.463
Human Hepatotoxicity (H-HT):  0.403 Drug-induced Liver Injury (DILI):  0.848
AMES Toxicity:  0.549 Rat Oral Acute Toxicity:  0.468
Maximum Recommended Daily Dose:  0.687 Skin Sensitization:  0.469
Carcinogencity:  0.738 Eye Corrosion:  0.446
Eye Irritation:  0.994 Respiratory Toxicity:  0.711
Drug-induced Neurotoxicity:  0.069 Ototoxicity:  0.098
Hematotoxicity:  0.114 Drug-induced Nephrotoxicity:  0.047
Genotoxicity:  0.869 RPMI-8226 Immunitoxicity:  0.047
A549 Cytotoxicity:  0.21 Hek293 Cytotoxicity:  0.57
BCF:   1.16
?
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:   3.745
?
48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:   4.343
?
48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].
LC50FM:   3.925
?
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
NPO26589 Artemisia annua L. Strain Asteraceae Eukaryota n.a. n.a. n.a. PMID[ 21030913]
NPO30734 Belamcanda chinensis Species Iridaceae Eukaryota n.a. n.a. n.a. DOI[10.1007/s11240-020-01863-w]
NPO26589 Artemisia annua L. Strain Asteraceae Eukaryota n.a. leaf n.a. DOI[10.1007/s11418-006-0112-9]
NPO26589 Artemisia annua L. Strain Asteraceae Eukaryota n.a. stem n.a. DOI[10.1007/s11418-006-0112-9]
NPO26589 Artemisia annua L. Strain Asteraceae Eukaryota n.a. flower n.a. DOI[10.1007/s11418-006-0112-9]
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/0031-9422(81)85171-0]
NPO24846 Astragalus membranaceus Species Fabaceae Eukaryota n.a. root n.a. DOI[10.1021/np50075a009]
NPO14417 Iris tectorum Species Iridaceae Eukaryota n.a. n.a. n.a. PMID[10075762]
NPO33456 inula viscosa Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[10217718]
NPO24176 Streptomyces fradiae Species Streptomycetaceae Bacteria n.a. n.a. n.a. PMID[10757717]
NPO23281 Aplysinella rhax Species Aplysinellidae Eukaryota n.a. n.a. n.a. PMID[10757728]
NPO24219 Erylus nobilis Species n.a. n.a. n.a. n.a. n.a. PMID[11421740]
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[11514174]
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota n.a. n.a. n.a. PMID[11754604]
NPO24219 Erylus nobilis Species n.a. n.a. n.a. n.a. n.a. PMID[11908993]
NPO21963 Hypericum japonicum Species Hypericaceae Eukaryota n.a. n.a. n.a. PMID[11914965]
NPO11059 Callicarpa japonica Species Lamiaceae Eukaryota n.a. leaf n.a. PMID[12165300]
NPO24364 Petrosia corticata Species Petrosiidae Eukaryota n.a. n.a. n.a. PMID[12350165]
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota fruit Hainan Island, China 1998 PMID[12398545]
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota n.a. leaf n.a. PMID[12575075]
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota n.a. stem n.a. PMID[12575075]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota n.a. n.a. n.a. PMID[1402962]
NPO24364 Petrosia corticata Species Petrosiidae Eukaryota n.a. Okinawan, Japan n.a. PMID[14695804]
NPO24364 Petrosia corticata Species Petrosiidae Eukaryota n.a. n.a. n.a. PMID[15332859]
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota n.a. whole plant n.a. PMID[15577255]
NPO15715 Astragalus mongholicus Species Fabaceae Eukaryota n.a. root n.a. PMID[15763368]
NPO30734 Belamcanda chinensis Species Iridaceae Eukaryota rhizomes Thai n.a. PMID[15787436]
NPO19240 Ligularia cymbulifera Species Asteraceae Eukaryota Roots n.a. n.a. PMID[16643057]
NPO21995 Gelsemium elegans Species Gelsemiaceae Eukaryota n.a. n.a. n.a. PMID[16643063]
NPO15538 Eucalyptus citriodora Species Myrtaceae Eukaryota Leaves the campus of Panjab University, Chandigarh, India PMID[16989303]
NPO21995 Gelsemium elegans Species Gelsemiaceae Eukaryota n.a. n.a. n.a. PMID[16989532]
NPO24846 Astragalus membranaceus Species Fabaceae Eukaryota n.a. root n.a. PMID[17253088]
NPO24364 Petrosia corticata Species Petrosiidae Eukaryota n.a. n.a. n.a. PMID[17407351]
NPO12006 Apis mellifera Species Apidae Eukaryota n.a. n.a. n.a. PMID[17548953]
NPO23281 Aplysinella rhax Species Aplysinellidae Eukaryota n.a. n.a. n.a. PMID[17827010]
NPO8080 Sarcophyton elegans Species Alcyoniidae Eukaryota n.a. n.a. n.a. PMID[18004813]
NPO20637 Piper acutifolium Species Piperaceae Eukaryota n.a. leaf n.a. PMID[18712933]
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota Roots Simao city, Yunnan Province, China 2007-MAY PMID[19374435]
NPO5018 Nervilia fordii Species Orchidaceae Eukaryota whole plant n.a. n.a. PMID[19422205]
NPO23924 Psilotum nudum Species Psilotaceae Eukaryota n.a. n.a. n.a. PMID[20488581]
NPO23499 Carpesium faberi Species Asteraceae Eukaryota whole plant Changshou County, Chongqing, China 2008-Aug PMID[21109433]
NPO19832 Gambierdiscus toxicus Species Goniodomataceae Eukaryota n.a. n.a. n.a. PMID[21250701]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. whole plant n.a. PMID[21428416]
NPO9888 Lobophytum laevigatum Species Alcyoniidae Eukaryota n.a. Vietnamese n.a. PMID[21458279]
NPO7528 Belamcanda chinensis Species Iridaceae Eukaryota n.a. n.a. n.a. PMID[21465599]
NPO9888 Lobophytum laevigatum Species Alcyoniidae Eukaryota n.a. Vietnamese soft coral n.a. PMID[21507644]
NPO9756 Daphne genkwa Species Thymelaeaceae Eukaryota n.a. flower n.a. PMID[21916433]
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[22277277]
NPO19803 Oxytropis ochrocephala Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[22494026]
NPO19792 Populus tomentosa Species Salicaceae Eukaryota n.a. n.a. n.a. PMID[22860454]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[22870812]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[23435948]
NPO9756 Daphne genkwa Species Thymelaeaceae Eukaryota flower buds n.a. n.a. PMID[23558238]
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[23583435]
NPO4010 Flemingia philippinensis Species Fabaceae Eukaryota Roots n.a. n.a. PMID[24054487]
NPO21995 Gelsemium elegans Species Gelsemiaceae Eukaryota n.a. n.a. n.a. PMID[24256496]
NPO4010 Flemingia philippinensis Species Fabaceae Eukaryota roots n.a. n.a. PMID[24412339]
NPO14417 Iris tectorum Species Iridaceae Eukaryota n.a. n.a. n.a. PMID[24433009]
NPO15538 Eucalyptus citriodora Species Myrtaceae Eukaryota Essential oil n.a. n.a. PMID[24641242]
NPO12006 Apis mellifera Species Apidae Eukaryota n.a. n.a. n.a. PMID[24675423]
NPO12006 Apis mellifera Species Apidae Eukaryota n.a. Bako, Ethiopia PMID[24926420]
NPO12006 Apis mellifera Species Apidae Eukaryota n.a. Enemore, Ethiopia PMID[24926420]
NPO12006 Apis mellifera Species Apidae Eukaryota n.a. Gedo, Ethiopia PMID[24926420]
NPO12006 Apis mellifera Species Apidae Eukaryota n.a. Holleta, Ethiopia PMID[24926420]
NPO7528 Belamcanda chinensis Species Iridaceae Eukaryota n.a. n.a. n.a. PMID[25036154]
NPO24846 Astragalus membranaceus Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[25068786]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[25737008]
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[25757283]
NPO15715 Astragalus mongholicus Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[25844502]
NPO24364 Petrosia corticata Species Petrosiidae Eukaryota n.a. n.a. n.a. PMID[25987373]
NPO21995 Gelsemium elegans Species Gelsemiaceae Eukaryota leaves and vine stems Xishuangbanna Tropical Botanical Garden (XTBG), Chinese Academy of Science (CAS), Mengla County, Yunnan Province, China 2009-OCT PMID[26103517]
NPO21995 Gelsemium elegans Species Gelsemiaceae Eukaryota n.a. n.a. n.a. PMID[26222693]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota Flower Buds n.a. n.a. PMID[26977531]
NPO21963 Hypericum japonicum Species Hypericaceae Eukaryota n.a. n.a. n.a. PMID[27116034]
NPO14558 Aquilaria sinensis Species Thymelaeaceae Eukaryota n.a. n.a. n.a. PMID[27128895]
NPO9756 Daphne genkwa Species Thymelaeaceae Eukaryota n.a. n.a. n.a. PMID[27228307]
NPO14417 Iris tectorum Species Iridaceae Eukaryota n.a. n.a. n.a. PMID[28032759]
NPO14558 Aquilaria sinensis Species Thymelaeaceae Eukaryota Resinous Wood n.a. n.a. PMID[29227647]
NPO21963 Hypericum japonicum Species Hypericaceae Eukaryota n.a. n.a. n.a. PMID[29667821]
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[30188125]
NPO24846 Astragalus membranaceus Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[30758201]
NPO9756 Daphne genkwa Species Thymelaeaceae Eukaryota Roots n.a. n.a. PMID[31150241]
NPO7528 Belamcanda chinensis Species Iridaceae Eukaryota Rhizomes n.a. n.a. PMID[31246464]
NPO9756 Daphne genkwa Species Thymelaeaceae Eukaryota n.a. n.a. n.a. PMID[31860304]
NPO9756 Daphne genkwa Species Thymelaeaceae Eukaryota n.a. n.a. n.a. PMID[32223193]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota n.a. n.a. n.a. PMID[34770801]
NPO30734 Belamcanda chinensis Species Iridaceae Eukaryota n.a. n.a. n.a. PMID[36265291]
NPO31132 Eucalyptus citriodora Species Myrtaceae Eukaryota n.a. n.a. n.a. PMID[36840164]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota n.a. n.a. n.a. PMID[36985392]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota n.a. n.a. n.a. PMID[37836118]
NPO18681 Artemisia scoparia Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[38538562]
NPO18681 Artemisia scoparia Species Asteraceae Eukaryota n.a. n.a. n.a. PMID[38542997]
NPO14558 Aquilaria sinensis Species Thymelaeaceae Eukaryota n.a. n.a. n.a. PMID[38792158]
NPO60488 Anthyllis henoniana Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[39061863]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota n.a. n.a. n.a. PMID[39684253]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota n.a. n.a. n.a. PMID[39699537]
NPO26589 Artemisia annua L. Strain Asteraceae Eukaryota n.a. n.a. n.a. PMID[6387056]
NPO24364 Petrosia corticata Species Petrosiidae Eukaryota n.a. n.a. n.a. PMID[7807132]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota n.a. n.a. n.a. PMID[8904847]
NPO11059 Callicarpa japonica Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[9222055]
NPO30734 Belamcanda chinensis Species Iridaceae Eukaryota n.a. n.a. n.a. PMID[9917289]
NPO24176 Streptomyces fradiae Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO18599 Pangium edule Species Achariaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO27951 Vigna mungo Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12006 Apis mellifera Species Apidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO31132 Eucalyptus citriodora Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21625 Bidens tripartita Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14558 Aquilaria sinensis Species Thymelaeaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26589 Artemisia annua L. Strain Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21963 Hypericum japonicum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18681 Artemisia scoparia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17749 Jackiella javanica Species Jackiellaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8080 Sarcophyton elegans Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8300 Apis mellifera ligustica Species Apidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18260 Eremanthus seidelii Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2028 Campsis grandiflora Species Bignoniaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO30734 Belamcanda chinensis Species Iridaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16309 Semen astragali complanati n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO23924 Psilotum nudum Species Psilotaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21995 Gelsemium elegans Species Gelsemiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18041 Cladrastis platycarpa Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4499 Aglaia formosana Species Meliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15119 Aphis graminum Species Aphididae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19631 Aphis pini Species Aphididae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18925 Artemisia rehan Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15437 Aspergillus desertorum Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18163 Aulosira fertilissima Species Fortieaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO11083 Avrainvillea longicaulis Species Udoteaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16132 Bryum argenteum Species Bryaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO11059 Callicarpa japonica Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12860 Clione antarctica Species Clionidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19370 Coprosma areolata Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19306 Cortinarius orellanus Species Cortinariaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16316 Cylindrospermum muscicola Species Nostocaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO14249 Diplodia natalensis Species Botryosphaeriaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19010 Elephantopus hirtiflorus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16978 Entada phaseoloides Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16776 Euphorbia amygdaloides Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19832 Gambierdiscus toxicus Species Goniodomataceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26532 Gmelina asiatica Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13344 Helichrysum cephaloideum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13727 Hemionitis japonica Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17222 Hesperis matronalis Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15481 Hypericum balearicum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17350 Jatropha macrorhiza Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19240 Ligularia cymbulifera Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18839 Lilium umbellatum Species Liliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9888 Lobophytum laevigatum Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21660 Magnolia montana Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19086 Nematolepis phebalioides Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19571 Oreopteris quelpaertensis Species Thelypteridaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18345 Phora velutina Species Phoridae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19706 Polyzonium rosalbum Species Polyzoniidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO2354 Rhizobium leguminosarum Species Rhizobiaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO17894 Rhus vulgaris Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14214 Sedum obtuso-lineare Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18672 Senecio adenophyllus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19168 Solidago flexicaulis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22636 Sterculia foetida Species Malvaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18422 Stizolobium deeringianum n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO17490 Trichophyton mentagrophytes Species Arthrodermataceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14715 Trollius chinensis Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15786 Umbilicaria esculenta Species Umbilicariaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19766 Viguiera linearis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17698 Cirsium oligophyllum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20554 Astragalus complanatus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24846 Astragalus membranaceus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO31579 Artemisia capillaries Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9394 Herba artemisiae scopariae n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO5018 Nervilia fordii Species Orchidaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23739 Staehelina fruticosa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21827 Albatrellus caeruleoporus Species Albatrellaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO738 Dahlstedtia pentaphylla Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16043 Centaurea musimomum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23281 Aplysinella rhax Species Aplysinellidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23318 Aconitum palmatum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24364 Petrosia corticata Species Petrosiidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14417 Iris tectorum Species Iridaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15715 Astragalus mongholicus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5024 Alpinia japonica Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24005 Mytilus galloprovincialis Species Mytilidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19803 Oxytropis ochrocephala Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24219 Erylus nobilis Species n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO5782 Aniba rosaeodora Species Lauraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23545 Vellozia streptophylla Species Velloziaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9756 Daphne genkwa Species Thymelaeaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4010 Flemingia philippinensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19792 Populus tomentosa Species Salicaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18976 Centaurea arbutifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22143 Genista sessilifolia Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12429 Acicarpha tribuloides Species Calyceraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20998 Machaerium kuhlmannii Species Dolichopodidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16725 Dalbergia hupeana Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO24090 Aplysilla rosea Species Darwinellidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO23211 Xyris indica Species Xyridaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota Bark n.a. n.a. Database[FooDB]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota Essential Oil n.a. n.a. Database[FooDB]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO27951 Vigna mungo Species Fabaceae Eukaryota Leaf Diffusate n.a. n.a. Database[FooDB]
NPO27951 Vigna mungo Species Fabaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO27951 Vigna mungo Species Fabaceae Eukaryota Sprout Seedling n.a. n.a. Database[FooDB]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota Stem n.a. n.a. Database[FooDB]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota n.a. n.a. Database[FooDB]
NPO27951 Vigna mungo Species Fabaceae Eukaryota n.a. n.a. Database[FooDB]
NPO18599 Pangium edule Species Achariaceae Eukaryota n.a. n.a. Database[FooDB]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota n.a. n.a. Database[FooDB]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO30734 Belamcanda chinensis Species Iridaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO18681 Artemisia scoparia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26589 Artemisia annua L. Strain Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14715 Trollius chinensis Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15715 Astragalus mongholicus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14417 Iris tectorum Species Iridaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO62 Tetracera asiatica Species Dilleniaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9756 Daphne genkwa Species Thymelaeaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO25176 Tamarix hispida Species Tamaricaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO24846 Astragalus membranaceus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14558 Aquilaria sinensis Species Thymelaeaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO21995 Gelsemium elegans Species Gelsemiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO31132 Eucalyptus citriodora Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO23924 Psilotum nudum Species Psilotaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO21963 Hypericum japonicum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22555 Alomia myriadenia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19792 Populus tomentosa Species Salicaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO12006 Apis mellifera Species Apidae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO22455 Corydalis sewerzowi Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO5024 Alpinia japonica Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO4010 Flemingia philippinensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15786 Umbilicaria esculenta Species Umbilicariaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO20554 Astragalus complanatus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO21625 Bidens tripartita Species Asteraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15715 Astragalus mongholicus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[MetaboLights]
NPO16309 Semen astragali complanati n.a. n.a. n.a. n.a. n.a. n.a. Database[TCMID]
NPO15538 Eucalyptus citriodora Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO24846 Astragalus membranaceus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26589 Artemisia annua L. Strain Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7528 Belamcanda chinensis Species Iridaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8300 Apis mellifera ligustica Species Apidae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14558 Aquilaria sinensis Species Thymelaeaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18681 Artemisia scoparia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21995 Gelsemium elegans Species Gelsemiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21963 Hypericum japonicum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9756 Daphne genkwa Species Thymelaeaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9394 Herba artemisiae scopariae n.a. n.a. n.a. n.a. n.a. n.a. Database[TCMID]
NPO5024 Alpinia japonica Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15715 Astragalus mongholicus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25176 Tamarix hispida Species Tamaricaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2028 Campsis grandiflora Species Bignoniaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14417 Iris tectorum Species Iridaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO62 Tetracera asiatica Species Dilleniaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19792 Populus tomentosa Species Salicaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16978 Entada phaseoloides Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15786 Umbilicaria esculenta Species Umbilicariaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO20554 Astragalus complanatus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22555 Alomia myriadenia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4010 Flemingia philippinensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22455 Corydalis sewerzowi Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14715 Trollius chinensis Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11059 Callicarpa japonica Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21625 Bidens tripartita Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22636 Sterculia foetida Species Malvaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23924 Psilotum nudum Species Psilotaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17749 Jackiella javanica Species Jackiellaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO24846 Astragalus membranaceus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO26589 Artemisia annua L. Strain Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO18681 Artemisia scoparia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO30734 Belamcanda chinensis Species Iridaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO31579 Artemisia capillaries Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO9756 Daphne genkwa Species Thymelaeaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO21963 Hypericum japonicum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO14558 Aquilaria sinensis Species Thymelaeaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO2028 Campsis grandiflora Species Bignoniaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO19792 Populus tomentosa Species Salicaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO15715 Astragalus mongholicus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO31132 Eucalyptus citriodora Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO4010 Flemingia philippinensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO20554 Astragalus complanatus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO12006 Apis mellifera Species Apidae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO5024 Alpinia japonica Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO14417 Iris tectorum Species Iridaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO16978 Entada phaseoloides Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO22636 Sterculia foetida Species Malvaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO24090 Aplysilla rosea Species Darwinellidae Eukaryota n.a. Austrila n.a. Database[Title]
NPO26589 Artemisia annua L. Strain Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO24846 Astragalus membranaceus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO14558 Aquilaria sinensis Species Thymelaeaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO15715 Astragalus mongholicus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO14417 Iris tectorum Species Iridaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO9756 Daphne genkwa Species Thymelaeaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO7528 Belamcanda chinensis Species Iridaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO20554 Astragalus complanatus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO2028 Campsis grandiflora Species Bignoniaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO16978 Entada phaseoloides Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO12429 Acicarpha tribuloides Species Calyceraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26532 Gmelina asiatica Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19240 Ligularia cymbulifera Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23211 Xyris indica Species Xyridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24364 Petrosia corticata Species Petrosiidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16725 Dalbergia hupeana Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5018 Nervilia fordii Species Orchidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12006 Apis mellifera Species Apidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8080 Sarcophyton elegans Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23413 Crematogaster africana Species Formicidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23924 Psilotum nudum Species Psilotaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23884 Hippobroma longiflora Species Campanulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23610 Aconitum tianschanicum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18163 Aulosira fertilissima Species Fortieaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO19168 Solidago flexicaulis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16978 Entada phaseoloides Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23792 Gomphostemma parviflorum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16316 Cylindrospermum muscicola Species Nostocaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO19010 Elephantopus hirtiflorus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24408 Ariocarpus fissuratus Species Cactaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23961 Scytonema ocellatum Species Scytonemataceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO15119 Aphis graminum Species Aphididae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22143 Genista sessilifolia Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18839 Lilium umbellatum Species Liliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18599 Pangium edule Species Achariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24176 Streptomyces fradiae Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO14214 Sedum obtuso-lineare Species Crassulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24132 Euphausia superba Species Euphausiidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18925 Artemisia rehan Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17350 Jatropha macrorhiza Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27951 Vigna mungo Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2354 Rhizobium leguminosarum Species Rhizobiaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO4010 Flemingia philippinensis Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18345 Phora velutina Species Phoridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18260 Eremanthus seidelii Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19571 Oreopteris quelpaertensis Species Thelypteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23739 Staehelina fruticosa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23114 Cacalia robusta Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO62 Tetracera asiatica Species Dilleniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14715 Trollius chinensis Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19706 Polyzonium rosalbum Species Polyzoniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15538 Eucalyptus citriodora Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19832 Gambierdiscus toxicus Species Goniodomataceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9756 Daphne genkwa Species Thymelaeaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21660 Magnolia montana Species Magnoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24445 Arbacia pustulosa Species Arbaciidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24005 Mytilus galloprovincialis Species Mytilidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15437 Aspergillus desertorum Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14249 Diplodia natalensis Species Botryosphaeriaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15481 Hypericum balearicum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20998 Machaerium kuhlmannii Species Dolichopodidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23499 Carpesium faberi Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22595 Trapa bicornis Species Lythraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16776 Euphorbia amygdaloides Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18681 Artemisia scoparia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19631 Aphis pini Species Aphididae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19535 Senecio zoellneri Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13727 Hemionitis japonica Species Pteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11083 Avrainvillea longicaulis Species Udoteaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9888 Lobophytum laevigatum Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20637 Piper acutifolium Species Piperaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23364 Lambertella corni Species Rutstroemiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24249 Codonopsis cordifolioidea Species Campanulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17222 Hesperis matronalis Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23281 Aplysinella rhax Species Aplysinellidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19306 Cortinarius orellanus Species Cortinariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15786 Umbilicaria esculenta Species Umbilicariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17749 Jackiella javanica Species Jackiellaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18672 Senecio adenophyllus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17490 Trichophyton mentagrophytes Species Arthrodermataceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22636 Sterculia foetida Species Malvaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24090 Aplysilla rosea Species Darwinellidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23696 Solanum diflorum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19792 Populus tomentosa Species Salicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19803 Oxytropis ochrocephala Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24219 Erylus nobilis Species n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO13127 Vallaris heynei Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8593 Zygosaccharomyces rouxii Species Saccharomycetaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2028 Campsis grandiflora Species Bignoniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18976 Centaurea arbutifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24846 Astragalus membranaceus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4499 Aglaia formosana Species Meliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23459 Onoseris alata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21963 Hypericum japonicum Species Hypericaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21827 Albatrellus caeruleoporus Species Albatrellaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23043 Cryptolestes pusillus Species Laemophloeidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11059 Callicarpa japonica Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13344 Helichrysum cephaloideum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22324 Erium villosum Species Pseudococcidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16132 Bryum argenteum Species Bryaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18422 Stizolobium deeringianum n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO12860 Clione antarctica Species Clionidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5782 Aniba rosaeodora Species Lauraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24048 Cladonia pityrea Species Cladoniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16043 Centaurea musimomum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20554 Astragalus complanatus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19086 Nematolepis phebalioides Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19370 Coprosma areolata Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19766 Viguiera linearis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17894 Rhus vulgaris Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17737 Lepidorhinus squamosus n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO22455 Corydalis sewerzowi Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23318 Aconitum palmatum Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23920 Amanita pseudoporphyria Species Amanitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24290 Claviceps microcephala Species Clavicipitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23545 Vellozia streptophylla Species Velloziaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4591 Neobellieria bullata Species Sarcophagidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23834 Chlamydomonas allensworthii Species Chlamydomonadaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21625 Bidens tripartita Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO738 Dahlstedtia pentaphylla Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5024 Alpinia japonica Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15715 Astragalus mongholicus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18041 Cladrastis platycarpa Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22555 Alomia myriadenia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14417 Iris tectorum Species Iridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21995 Gelsemium elegans Species Gelsemiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26589 Artemisia annua L. Strain Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17698 Cirsium oligophyllum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7528 Belamcanda chinensis Species Iridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14558 Aquilaria sinensis Species Thymelaeaceae 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
NPO60488 Anthyllis henoniana Methanol extract Stems 1.2 n.a. n.a. % PMID[39061863]

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
NPT1602 Individual protein Neuraminidase Influenza A virus (A/Puerto Rico/8/1934(H1N1)) IC50 = 15.46 ug.mL-1 PMID[20116898]
NPT1602 Individual protein Neuraminidase Influenza A virus (A/Puerto Rico/8/1934(H1N1)) logIC50 = 1.189 n.a. PMID[20116898]
NPT261 Individual protein Monoamine oxidase A Homo sapiens IC50 = 51.0 nM PMID[30686752]
NPT493 Individual protein Neuraminidase Influenza A virus IC50 = 51500.0 nM PMID[18640042]
NPT493 Individual protein Neuraminidase Influenza A virus IC50 = 83900.0 nM PMID[18640042]
NPT493 Individual protein Neuraminidase Influenza A virus IC50 = 62000.0 nM PMID[18640042]

In vitro activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT189 Cell line Vero Chlorocebus aethiops MNCC = 0.08 mM PMID[19422205]
NPT878 Organism Streptococcus mutans Streptococcus mutans MIC = 1250.0 ug.mL-1 PMID[8904847]
NPT1128 Organism Prevotella intermedia Prevotella intermedia MIC = 625.0 ug.mL-1 PMID[8904847]
NPT1127 Organism Porphyromonas gingivalis Porphyromonas gingivalis MIC = 625.0 ug.mL-1 PMID[8904847]
NPT1129 Organism Actinomyces viscosus Actinomyces viscosus MIC = 1250.0 ug.mL-1 PMID[8904847]
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 15.3 ug.mL-1 DOI[10.1007/s00044-013-0485-8]
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 37.7 ug.mL-1 DOI[10.1007/s00044-013-0485-8]
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 59.7 ug.mL-1 DOI[10.1007/s00044-013-0485-8]

In vivo activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus Inhibition = 78.0 % PMID[10217718]
NPT32 Organism Mus musculus Mus musculus Inhibition = 6.0 % PMID[10217718]





 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 NPC143799 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.5 or Top200).

Similarity Score Similarity Level Natural Product ID
0.84 Intermediate Similarity NPC87125
0.82 Intermediate Similarity NPC152042
0.7778 Intermediate Similarity NPC252933
0.7407 Intermediate Similarity NPC200740
0.7407 Intermediate Similarity NPC166753
0.7358 Intermediate Similarity NPC605755
0.7037 Intermediate Similarity NPC234133
0.7037 Intermediate Similarity NPC146679
0.6909 Remote Similarity NPC269652
0.6667 Remote Similarity NPC108831
0.6667 Remote Similarity NPC182634
0.6567 Remote Similarity NPC323593
0.6567 Remote Similarity NPC203500
0.6538 Remote Similarity NPC116775
0.6429 Remote Similarity NPC241838
0.614 Remote Similarity NPC188871
0.6034 Remote Similarity NPC108406
0.6034 Remote Similarity NPC32420
0.6034 Remote Similarity NPC49824
0.6 Remote Similarity NPC125062
0.6 Remote Similarity NPC473241
0.5833 Remote Similarity NPC124784
0.5818 Remote Similarity NPC195351
0.5789 Remote Similarity NPC473042
0.5763 Remote Similarity NPC86485
0.5738 Remote Similarity NPC137062
0.5738 Remote Similarity NPC78326
0.5714 Remote Similarity NPC179271
0.5714 Remote Similarity NPC238376
0.569 Remote Similarity NPC44079
0.569 Remote Similarity NPC219330
0.569 Remote Similarity NPC98661
0.569 Remote Similarity NPC103904
0.569 Remote Similarity NPC127447
0.569 Remote Similarity NPC262094
0.569 Remote Similarity NPC29353
0.5667 Remote Similarity NPC54394
0.5667 Remote Similarity NPC159103
0.5645 Remote Similarity NPC227192
0.5634 Remote Similarity NPC205026
0.5634 Remote Similarity NPC277205
0.5634 Remote Similarity NPC37919
0.56 Remote Similarity NPC601586
0.5593 Remote Similarity NPC33265
0.5593 Remote Similarity NPC50403
0.5593 Remote Similarity NPC301123
0.5593 Remote Similarity NPC276905
0.5593 Remote Similarity NPC281207
0.5593 Remote Similarity NPC28274
0.5593 Remote Similarity NPC76376
0.5593 Remote Similarity NPC270465
0.5574 Remote Similarity NPC177298
0.5574 Remote Similarity NPC236769
0.5574 Remote Similarity NPC195202
0.5571 Remote Similarity NPC159707
0.5571 Remote Similarity NPC194593
0.5556 Remote Similarity NPC265624
0.5536 Remote Similarity NPC225731
0.5536 Remote Similarity NPC20791
0.5517 Remote Similarity NPC26227
0.5507 Remote Similarity NPC603508
0.55 Remote Similarity NPC303644
0.5429 Remote Similarity NPC600396
0.541 Remote Similarity NPC270620
0.5373 Remote Similarity NPC166757
0.5366 Remote Similarity NPC139060
0.5357 Remote Similarity NPC187432
0.5357 Remote Similarity NPC128216
0.5342 Remote Similarity NPC304745
0.5333 Remote Similarity NPC201451
0.5333 Remote Similarity NPC48479
0.5333 Remote Similarity NPC486578
0.5323 Remote Similarity NPC93376
0.5323 Remote Similarity NPC223579
0.5323 Remote Similarity NPC206604
0.5323 Remote Similarity NPC609179
0.5246 Remote Similarity NPC480465
0.5238 Remote Similarity NPC80068
0.5238 Remote Similarity NPC133953
0.5238 Remote Similarity NPC188815
0.5238 Remote Similarity NPC604021
0.5231 Remote Similarity NPC259411
0.5227 Remote Similarity NPC480796
0.52 Remote Similarity NPC307938
0.52 Remote Similarity NPC55443
0.5167 Remote Similarity NPC141285
0.5167 Remote Similarity NPC90582
0.5167 Remote Similarity NPC103342
0.5161 Remote Similarity NPC246204
0.5161 Remote Similarity NPC602344
0.5156 Remote Similarity NPC24821
0.5152 Remote Similarity NPC216538
0.5152 Remote Similarity NPC99671
0.5135 Remote Similarity NPC46420
0.5082 Remote Similarity NPC198826
0.5082 Remote Similarity NPC250266
0.5082 Remote Similarity NPC120163
0.5082 Remote Similarity NPC101830
0.5082 Remote Similarity NPC605144
0.5082 Remote Similarity NPC605146
0.5082 Remote Similarity NPC608038
0.5079 Remote Similarity NPC261548
0.5079 Remote Similarity NPC58382
0.5079 Remote Similarity NPC602125
0.5079 Remote Similarity NPC610401

Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC143799 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.5536 Remote Similarity NPD1512 Phase 3

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