Molecular Weight:   | 342.17 |
Volume:   | 351.907 |
LogP:   | 0.527 |
LogD:   | 3.552 |
LogS:   | -0.094 |
# Rotatable Bonds:   | 2 |
TPSA:   | 58.92 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 2 |
# Rings:   | 4 |
# Heavy Atoms:   | 5 |
QED Drug-Likeness Score:   | 0.824 |
Synthetic Accessibility Score:   | 3.545 |
Fsp3:   | 0.4 |
Lipinski Rule-of-5:   | Accepted |
Pfizer Rule:   | Accepted |
GSK Rule:   | Accepted |
BMS Rule:   | 0 |
Golden Triangle Rule:   | Accepted |
Chelating Alert:   | 1 |
PAINS Alert:   | 0 |
Caco-2 Permeability:   | -5.796 |
MDCK Permeability:   | 5.683580184268067e-06 |
Pgp-inhibitor:   | 0.001 |
Pgp-substrate:   | 0.991 |
Human Intestinal Absorption (HIA):   | 0.979 |
20% Bioavailability (F20%):   | 1.0 |
30% Bioavailability (F30%):   | 0.999 |
Blood-Brain-Barrier Penetration (BBB):   | 0.242 |
Plasma Protein Binding (PPB):   | 59.2887077331543% |
Volume Distribution (VD):   | 1.758 |
Pgp-substrate:   | 25.03270721435547% |
CYP1A2-inhibitor:   | 0.086 |
CYP1A2-substrate:   | 0.966 |
CYP2C19-inhibitor:   | 0.018 |
CYP2C19-substrate:   | 0.208 |
CYP2C9-inhibitor:   | 0.001 |
CYP2C9-substrate:   | 0.435 |
CYP2D6-inhibitor:   | 0.011 |
CYP2D6-substrate:   | 0.932 |
CYP3A4-inhibitor:   | 0.058 |
CYP3A4-substrate:   | 0.504 |
Clearance (CL):   | 3.481 |
Half-life (T1/2):   | 0.876 |
hERG Blockers:   | 0.06 |
Human Hepatotoxicity (H-HT):   | 0.019 |
Drug-inuced Liver Injury (DILI):   | 0.026 |
AMES Toxicity:   | 0.187 |
Rat Oral Acute Toxicity:   | 0.428 |
Maximum Recommended Daily Dose:   | 0.964 |
Skin Sensitization:   | 0.144 |
Carcinogencity:   | 0.035 |
Eye Corrosion:   | 0.003 |
Eye Irritation:   | 0.024 |
Respiratory Toxicity:   | 0.747 |
Natural Product ID:   | NPC12053 |
Common Name*:   | Magnoflorine |
IUPAC Name:   | (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-1,11-diol |
Synonyms:   | Magnoflorine |
Standard InCHIKey:   | YLRXAIKMLINXQY-ZDUSSCGKSA-O |
Standard InCHI:   | InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1 |
SMILES:   | C[N+]1(C)CCc2cc(c(c3-c4c(ccc(c4O)OC)C[C@H]1c23)O)OC |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL235428 |
PubChem CID:   |
73337 |
Chemical Classification**:   |
|
*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1315 | Sinomenium acutum | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.3987/COM-96-7609.] |
NPO16163 | Aristolochia heterophylla | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[10075784] |
NPO16163 | Aristolochia heterophylla | Species | Aristolochiaceae | Eukaryota | root and stem | n.a. | n.a. |
PMID[10096848] |
NPO16163 | Aristolochia heterophylla | Species | Aristolochiaceae | Eukaryota | n.a. | root | n.a. |
PMID[10096848] |
NPO16163 | Aristolochia heterophylla | Species | Aristolochiaceae | Eukaryota | n.a. | stem | n.a. |
PMID[10096848] |
NPO32603 | blue cohosh | Species | n.a. | n.a. | rhizomes | n.a. | n.a. |
PMID[10543898] |
NPO11635 | Thalictrum minus | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[10924164] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | rhizomes | n.a. | n.a. |
PMID[11000020] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[12081149] |
NPO18443 | Aristolochia manshuriensis | Species | Aristolochiaceae | Eukaryota | Stems | n.a. | n.a. |
PMID[12880323] |
NPO14814 | Aristolochia contorta | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[1431939] |
NPO14431 | Dunaliella salina | Species | Dunaliellaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[14664856] |
NPO10618 | Acnistus arborescens | Species | Solanaceae | Eukaryota | leaves | n.a. | n.a. |
PMID[15104512] |
NPO1315 | Sinomenium acutum | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16038566] |
NPO4368 | Magnolia officinalis | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[1659613] |
NPO1315 | Sinomenium acutum | Species | Menispermaceae | Eukaryota | n.a. | stem | n.a. |
PMID[16964757] |
NPO10008 | Tinospora capillipes | Species | Menispermaceae | Eukaryota | n.a. | root | n.a. |
PMID[17340259] |
NPO20751 | Hypserpa nitida | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[17723297] |
NPO4368 | Magnolia officinalis | Species | Magnoliaceae | Eukaryota | stem bark | n.a. | n.a. |
PMID[17918910] |
NPO1315 | Sinomenium acutum | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18081254] |
NPO11791 | Magnolia obovata | Species | Magnoliaceae | Eukaryota | n.a. | stem | n.a. |
PMID[18175990] |
NPO29110 | Litsea cubeba | Species | Lauraceae | Eukaryota | n.a. | aerial part | n.a. |
PMID[18991207] |
NPO4368 | Magnolia officinalis | Species | Magnoliaceae | Eukaryota | Stems; Barks | n.a. | n.a. |
PMID[19086868] |
NPO12773 | Stephania tetrandra | Species | Menispermaceae | Eukaryota | n.a. | root | n.a. |
PMID[20030508] |
NPO18443 | Aristolochia manshuriensis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20097074] |
NPO10618 | Acnistus arborescens | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20590148] |
NPO18410 | Cyclea racemosa | Species | Menispermaceae | Eukaryota | roots | n.a. | n.a. |
PMID[20593839] |
NPO25345 | Corydalis ternata | Species | Papaveraceae | Eukaryota | tubers | n.a. | n.a. |
PMID[20594848] |
NPO15264 | Garcinia paucinervis | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20594858] |
NPO29110 | Litsea cubeba | Species | Lauraceae | Eukaryota | essential oil | Tibet | n.a. |
PMID[20944522] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21123068] |
NPO18443 | Aristolochia manshuriensis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21353775] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[21401114] |
NPO11791 | Magnolia obovata | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21625478] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | root | n.a. |
PMID[22051934] |
NPO25197 | Magnolia sprengeri | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22080044] |
NPO827 | Corydalis yanhusuo | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22737858] |
NPO1315 | Sinomenium acutum | Species | Menispermaceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[23059629] |
NPO827 | Corydalis yanhusuo | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23194502] |
NPO4368 | Magnolia officinalis | Species | Magnoliaceae | Eukaryota | n.a. | bark | n.a. |
PMID[23823874] |
NPO1689 | Epimedium pubescens | Species | Berberidaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[24066589] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | aerial parts | herbal garden of Chungbuk National University, Cheongju, Korea | 2012-Oct |
PMID[24963714] |
NPO13962 | Corydalis turtschaninovii | Species | Papaveraceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[25277281] |
NPO20712 | Panax quinquefolius | Species | Araliaceae | Eukaryota | leaves and stems | n.a. | n.a. |
PMID[25442304] |
NPO13962 | Corydalis turtschaninovii | Species | Papaveraceae | Eukaryota | n.a. | tuber | n.a. |
PMID[25670016] |
NPO5986 | Ziziphus jujuba | Species | Rhamnaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[27617953] |
NPO5986 | Ziziphus jujuba | Species | Rhamnaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[28257196] |
NPO4368 | Magnolia officinalis | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[28485933] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[28522265] |
NPO29110 | Litsea cubeba | Species | Lauraceae | Eukaryota | Twigs | n.a. | n.a. |
PMID[28541690] |
NPO25734 | Tinospora sagittata | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[28836430] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[29641206] |
NPO827 | Corydalis yanhusuo | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[32058719] |
NPO12773 | Stephania tetrandra | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[3728032] |
NPO20412 | Magnolia grandiflora | Species | Magnoliaceae | Eukaryota | Wood | n.a. | n.a. |
PMID[7119806] |
NPO22151 | Stephania pierrei | Species | Menispermaceae | Eukaryota | tubers | n.a. | n.a. |
PMID[8254346] |
NPO10969 | Epimedium sagittatum | Species | Berberidaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[8699184] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | aerial part | n.a. | Database[Article] |
NPO12773 | Stephania tetrandra | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[Article] |
NPO11791 | Magnolia obovata | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22242.1 | Phellodendron chinense var. glabriusculum | Varieties | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO18410 | Cyclea racemosa | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1689 | Epimedium pubescens | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO18295 | Berberis amurensis | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO2114.1 | Thalictrum minus var. hypoleucum | Varieties | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO23450 | Chionographis japonica | Species | Melanthiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO23020 | Aristolochia fangchi | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO827 | Corydalis yanhusuo | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22043 | Hylomecon japonica | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22242 | Phellodendron chinense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11635 | Thalictrum minus | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO29316 | Thalictrum baicalense | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO18832 | Berberis thunbergii | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO23519 | Coptis teetoides | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7780 | Thalictrum foetidum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO12773 | Stephania tetrandra | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO9279 | Thalictrum dasycarpum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO20412 | Magnolia grandiflora | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO15064 | Magnolia denudata | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO28949 | Croton cumingii | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO10008 | Tinospora capillipes | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO29110 | Litsea cubeba | Species | Lauraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO4368 | Magnolia officinalis | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO10969 | Epimedium sagittatum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO14814 | Aristolochia contorta | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO18443 | Aristolochia manshuriensis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO12214 | Leontice robustum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO4824 | Cocculus trilobus | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO26419 | Magnolia rostrata | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13637 | Thalictrum foliolosum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO25197 | Magnolia sprengeri | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16163 | Aristolochia heterophylla | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1315 | Sinomenium acutum | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO6913 | Aristolochia sipho | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO19403 | Epimedium grandiflorum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO23516 | Potentilla discolor | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO5986 | Ziziphus jujuba | Species | Rhamnaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO12690 | Caltha palustris | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO24916 | Aristolochia debilis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO96 | Rhododendron capitatum | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO24476 | Phellodendron amurense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22930 | Aristolochia moupinensis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO8994 | Berberis kawakamii | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO9141 | Epimedium wushanense | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1315 | Sinomenium acutum | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23450 | Chionographis japonica | Species | Melanthiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO19403 | Epimedium grandiflorum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO24476 | Phellodendron amurense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22242 | Phellodendron chinense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22242.1 | Phellodendron chinense var. glabriusculum | Varieties | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5144 | Berberis japonica | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO26419 | Magnolia rostrata | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO2114.1 | Thalictrum minus var. hypoleucum | Varieties | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO96 | Rhododendron capitatum | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO25197 | Magnolia sprengeri | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9141 | Epimedium wushanense | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO18295 | Berberis amurensis | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO15064 | Magnolia denudata | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO4368 | Magnolia officinalis | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9279 | Thalictrum dasycarpum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5986 | Ziziphus jujuba | Species | Rhamnaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO18832 | Berberis thunbergii | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7389 | Rhodiola atuntsuensis | Species | Crassulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO18443 | Aristolochia manshuriensis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO25734 | Tinospora sagittata | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO18410 | Cyclea racemosa | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23519 | Coptis teetoides | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8994 | Berberis kawakamii | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO4824 | Cocculus trilobus | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16163 | Aristolochia heterophylla | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11635 | Thalictrum minus | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22043 | Hylomecon japonica | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23516 | Potentilla discolor | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO1689 | Epimedium pubescens | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14814 | Aristolochia contorta | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10618 | Acnistus arborescens | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11640 | Berberis fortunei | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO29316 | Thalictrum baicalense | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO29110 | Litsea cubeba | Species | Lauraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7780 | Thalictrum foetidum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12690 | Caltha palustris | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO4957 | Epimedium brevicornu | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14380 | Cortex berberidis | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TCMID] |
NPO24916 | Aristolochia debilis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO28949 | Croton cumingii | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO6913 | Aristolochia sipho | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10008 | Tinospora capillipes | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16580 | Berberis bealei | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5156 | Hypoestes rosea | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23020 | Aristolochia fangchi | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12773 | Stephania tetrandra | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO20712 | Panax quinquefolius | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11791 | Magnolia obovata | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO827 | Corydalis yanhusuo | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO20412 | Magnolia grandiflora | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22930 | Aristolochia moupinensis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13637 | Thalictrum foliolosum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5493 | Rhizoma menispermi | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12214 | Leontice robustum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10969 | Epimedium sagittatum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO22930 | Aristolochia moupinensis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO5986 | Ziziphus jujuba | Species | Rhamnaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO10969 | Epimedium sagittatum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO827 | Corydalis yanhusuo | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO16163 | Aristolochia heterophylla | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO1689 | Epimedium pubescens | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO24476 | Phellodendron amurense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO18443 | Aristolochia manshuriensis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO18295 | Berberis amurensis | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO4824 | Cocculus trilobus | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO13637 | Thalictrum foliolosum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO20412 | Magnolia grandiflora | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO18410 | Cyclea racemosa | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO14814 | Aristolochia contorta | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO22043 | Hylomecon japonica | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO12214 | Leontice robustum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO12690 | Caltha palustris | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO4368 | Magnolia officinalis | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO1315 | Sinomenium acutum | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO22242 | Phellodendron chinense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO18832 | Berberis thunbergii | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO96 | Rhododendron capitatum | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO12773 | Stephania tetrandra | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO23020 | Aristolochia fangchi | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO15064 | Magnolia denudata | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO11791 | Magnolia obovata | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO24916 | Aristolochia debilis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO11635 | Thalictrum minus | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO4368 | Magnolia officinalis | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO29110 | Litsea cubeba | Species | Lauraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO827 | Corydalis yanhusuo | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO13384 | Epimedium sempervirens | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO25734 | Tinospora sagittata | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO25345 | Corydalis ternata | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO16580 | Berberis bealei | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO10008 | Tinospora capillipes | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO20712 | Panax quinquefolius | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO10969 | Epimedium sagittatum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO11791 | Magnolia obovata | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO1315 | Sinomenium acutum | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO1689 | Epimedium pubescens | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO5986 | Ziziphus jujuba | Species | Rhamnaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO29008 | Coptis teeta | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO19403 | Epimedium grandiflorum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO11640 | Berberis fortunei | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO24916 | Aristolochia debilis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO13962 | Corydalis turtschaninovii | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO26538 | Phellodendron chinese | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO14814 | Aristolochia contorta | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO25197 | Magnolia sprengeri | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO9141 | Epimedium wushanense | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO15064 | Magnolia denudata | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO24476 | Phellodendron amurense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO12773 | Stephania tetrandra | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO4957 | Epimedium brevicornu | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22242 | Phellodendron chinense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO1689 | Epimedium pubescens | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7780 | Thalictrum foetidum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25345 | Corydalis ternata | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1315 | Sinomenium acutum | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19403 | Epimedium grandiflorum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24372 | Artemisia palustris | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO827 | Corydalis yanhusuo | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12130 | Frullania dilatata | Species | Frullaniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13554 | Chrysactinia mexicana | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29316 | Thalictrum baicalense | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14431 | Dunaliella salina | Species | Dunaliellaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8994 | Berberis kawakamii | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11635 | Thalictrum minus | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13942 | Cryptantha leiocarpa | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23024 | Epimedium koreanum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9279 | Thalictrum dasycarpum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25197 | Magnolia sprengeri | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20751 | Hypserpa nitida | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20412 | Magnolia grandiflora | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22242 | Phellodendron chinense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6730 | Crossopteryx febrifuga | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10969 | Epimedium sagittatum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22767 | Phomopsis cassiae | Species | Valsaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15064 | Magnolia denudata | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13384 | Epimedium sempervirens | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12690 | Caltha palustris | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19931 | Pyrus x nivalis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2114.1 | Thalictrum minus var. hypoleucum | Varieties | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10008 | Tinospora capillipes | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23519 | Coptis teetoides | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4824 | Cocculus trilobus | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22043 | Hylomecon japonica | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9141 | Epimedium wushanense | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13637 | Thalictrum foliolosum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14056 | Microstrobos niphophilus | Species | Podocarpaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12773 | Stephania tetrandra | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29008 | Coptis teeta | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1516 | Passiflora suberosa | Species | Passifloraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24476 | Phellodendron amurense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23450 | Chionographis japonica | Species | Melanthiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5156 | Hypoestes rosea | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4368 | Magnolia officinalis | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11640 | Berberis fortunei | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16970 | Nectandra saligna | Species | Lauraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28949 | Croton cumingii | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8448 | Trifolium stellatum | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25734 | Tinospora sagittata | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16401 | Zataria bracteata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22151 | Stephania pierrei | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18832 | Berberis thunbergii | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15264 | Garcinia paucinervis | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7389 | Rhodiola atuntsuensis | Species | Crassulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13962 | Corydalis turtschaninovii | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18410 | Cyclea racemosa | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29110 | Litsea cubeba | Species | Lauraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26419 | Magnolia rostrata | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11791 | Magnolia obovata | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4957 | Epimedium brevicornu | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10618 | Acnistus arborescens | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3994 | Haplophyllum latifolium | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5144 | Berberis japonica | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21496 | Pilosocereus chrysacanthus | Species | Cactaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20712 | Panax quinquefolius | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12214 | Leontice robustum | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18295 | Berberis amurensis | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO96 | Rhododendron capitatum | Species | Ericaceae | 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].
Organism ID | NP ID | 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].
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT941 | Cell Line | HaCaT | Homo sapiens | Activity | = | 22.1 | % | PMID[497089] |
NPT941 | Cell Line | HaCaT | Homo sapiens | Activity | = | 12.66 | n.a. | PMID[497089] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | CC50 | > | 4114000.0 | nM | PMID[497083] |
NPT963 | Organism | Hepatitis B virus | Hepatitis B virus | IC50 | > | 4114000.0 | nM | PMID[497083] |
NPT32 | Organism | Mus musculus | Mus musculus | LD50 | = | 19.6 | mg.kg-1 | PMID[497084] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 5.0 | min | PMID[497084] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 15.0 | min | PMID[497084] |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | ED50 | > | 10000.0 | ng/ml | PMID[497085] |
NPT2 | Others | Unspecified | Activity | = | 28.2 | % | PMID[497086] | |
NPT2 | Others | Unspecified | Activity | = | 29.0 | % | PMID[497086] | |
NPT2 | Others | Unspecified | Activity | = | 27.8 | % | PMID[497086] | |
NPT992 | Organism | Entamoeba histolytica | Entamoeba histolytica | IC50 | = | 37.96 | ug.mL-1 | PMID[497087] |
NPT21770 | PROTEIN FAMILY | MAP kinase p38 | Mus musculus | FC | = | 6.0 | n.a. | PMID[497088] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 509.8 | n.a. | PMID[497089] |
☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.
Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC12053 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
1.0 | High Similarity | NPC158376 |
1.0 | High Similarity | NPC145832 |
1.0 | High Similarity | NPC205421 |
1.0 | High Similarity | NPC81218 |
1.0 | High Similarity | NPC474931 |
1.0 | High Similarity | NPC117188 |
1.0 | High Similarity | NPC306555 |
0.987 | High Similarity | NPC212794 |
0.987 | High Similarity | NPC13504 |
0.987 | High Similarity | NPC306843 |
0.987 | High Similarity | NPC78222 |
0.987 | High Similarity | NPC96603 |
0.987 | High Similarity | NPC253043 |
0.987 | High Similarity | NPC196447 |
0.987 | High Similarity | NPC136508 |
0.987 | High Similarity | NPC477563 |
0.9805 | High Similarity | NPC324144 |
0.9805 | High Similarity | NPC1229 |
0.9675 | High Similarity | NPC166014 |
0.9675 | High Similarity | NPC27410 |
0.9623 | High Similarity | NPC192135 |
0.9623 | High Similarity | NPC477020 |
0.9623 | High Similarity | NPC66341 |
0.9565 | High Similarity | NPC320223 |
0.9565 | High Similarity | NPC114364 |
0.956 | High Similarity | NPC239775 |
0.9545 | High Similarity | NPC476572 |
0.9497 | High Similarity | NPC26240 |
0.9497 | High Similarity | NPC477562 |
0.9497 | High Similarity | NPC69712 |
0.9497 | High Similarity | NPC168753 |
0.9497 | High Similarity | NPC118274 |
0.9441 | High Similarity | NPC128560 |
0.9441 | High Similarity | NPC199465 |
0.9441 | High Similarity | NPC229166 |
0.9416 | High Similarity | NPC325871 |
0.9416 | High Similarity | NPC99659 |
0.9363 | High Similarity | NPC60186 |
0.9308 | High Similarity | NPC81247 |
0.9308 | High Similarity | NPC35627 |
0.9308 | High Similarity | NPC476573 |
0.9268 | High Similarity | NPC474507 |
0.9221 | High Similarity | NPC326316 |
0.9221 | High Similarity | NPC81733 |
0.9217 | High Similarity | NPC135772 |
0.9157 | High Similarity | NPC116284 |
0.9146 | High Similarity | NPC476577 |
0.9146 | High Similarity | NPC148709 |
0.9146 | High Similarity | NPC173416 |
0.913 | High Similarity | NPC247389 |
0.913 | High Similarity | NPC298979 |
0.9096 | High Similarity | NPC476574 |
0.9096 | High Similarity | NPC155442 |
0.9096 | High Similarity | NPC312918 |
0.9096 | High Similarity | NPC477561 |
0.9068 | High Similarity | NPC24264 |
0.9068 | High Similarity | NPC219341 |
0.9068 | High Similarity | NPC476432 |
0.9045 | High Similarity | NPC189266 |
0.9045 | High Similarity | NPC2413 |
0.9045 | High Similarity | NPC184026 |
0.9045 | High Similarity | NPC207757 |
0.9045 | High Similarity | NPC5238 |
0.9045 | High Similarity | NPC469817 |
0.9045 | High Similarity | NPC193949 |
0.9045 | High Similarity | NPC276588 |
0.9045 | High Similarity | NPC110416 |
0.9045 | High Similarity | NPC204828 |
0.9045 | High Similarity | NPC249797 |
0.9045 | High Similarity | NPC295691 |
0.9045 | High Similarity | NPC39701 |
0.9045 | High Similarity | NPC127674 |
0.9045 | High Similarity | NPC172765 |
0.9045 | High Similarity | NPC278799 |
0.9045 | High Similarity | NPC54379 |
0.9042 | High Similarity | NPC248642 |
0.9026 | High Similarity | NPC147390 |
0.9026 | High Similarity | NPC246587 |
0.9026 | High Similarity | NPC428 |
0.9026 | High Similarity | NPC476571 |
0.9026 | High Similarity | NPC24233 |
0.9026 | High Similarity | NPC135538 |
0.9006 | High Similarity | NPC302527 |
0.9006 | High Similarity | NPC16805 |
0.9006 | High Similarity | NPC167546 |
0.9006 | High Similarity | NPC225774 |
0.8988 | High Similarity | NPC156576 |
0.8968 | High Similarity | NPC477565 |
0.8968 | High Similarity | NPC103379 |
0.8961 | High Similarity | NPC321505 |
0.8961 | High Similarity | NPC179825 |
0.8961 | High Similarity | NPC191376 |
0.8951 | High Similarity | NPC13916 |
0.8951 | High Similarity | NPC264850 |
0.8922 | High Similarity | NPC126284 |
0.891 | High Similarity | NPC220858 |
0.891 | High Similarity | NPC97221 |
0.891 | High Similarity | NPC88249 |
0.891 | High Similarity | NPC151895 |
0.891 | High Similarity | NPC192768 |
0.8896 | High Similarity | NPC210918 |
0.8895 | High Similarity | NPC478093 |
0.8889 | High Similarity | NPC82763 |
0.8889 | High Similarity | NPC24465 |
0.8868 | High Similarity | NPC203784 |
0.8868 | High Similarity | NPC186063 |
0.8868 | High Similarity | NPC170503 |
0.8868 | High Similarity | NPC126519 |
0.8855 | High Similarity | NPC477558 |
0.8844 | High Similarity | NPC478092 |
0.8844 | High Similarity | NPC478091 |
0.8844 | High Similarity | NPC473589 |
0.8844 | High Similarity | NPC30182 |
0.8839 | High Similarity | NPC476151 |
0.8831 | High Similarity | NPC185838 |
0.883 | High Similarity | NPC186546 |
0.883 | High Similarity | NPC476576 |
0.882 | High Similarity | NPC160298 |
0.882 | High Similarity | NPC306902 |
0.882 | High Similarity | NPC232924 |
0.882 | High Similarity | NPC266753 |
0.882 | High Similarity | NPC477559 |
0.881 | High Similarity | NPC32154 |
0.8805 | High Similarity | NPC244112 |
0.878 | High Similarity | NPC204947 |
0.878 | High Similarity | NPC210140 |
0.878 | High Similarity | NPC150879 |
0.8772 | High Similarity | NPC320088 |
0.8772 | High Similarity | NPC57036 |
0.8765 | High Similarity | NPC80759 |
0.8765 | High Similarity | NPC79402 |
0.8735 | High Similarity | NPC149090 |
0.8735 | High Similarity | NPC19520 |
0.8735 | High Similarity | NPC231371 |
0.8727 | High Similarity | NPC204908 |
0.8727 | High Similarity | NPC83198 |
0.8721 | High Similarity | NPC275680 |
0.8721 | High Similarity | NPC22115 |
0.872 | High Similarity | NPC124657 |
0.8704 | High Similarity | NPC119649 |
0.8704 | High Similarity | NPC271388 |
0.8704 | High Similarity | NPC235143 |
0.8704 | High Similarity | NPC230956 |
0.8704 | High Similarity | NPC205255 |
0.869 | High Similarity | NPC241704 |
0.8683 | High Similarity | NPC152680 |
0.8683 | High Similarity | NPC190783 |
0.8683 | High Similarity | NPC232386 |
0.8679 | High Similarity | NPC26601 |
0.8675 | High Similarity | NPC6152 |
0.8675 | High Similarity | NPC152212 |
0.8663 | High Similarity | NPC214116 |
0.8659 | High Similarity | NPC276944 |
0.8659 | High Similarity | NPC134858 |
0.8659 | High Similarity | NPC169743 |
0.8659 | High Similarity | NPC238530 |
0.8659 | High Similarity | NPC232514 |
0.8655 | High Similarity | NPC33902 |
0.8655 | High Similarity | NPC276674 |
0.8642 | High Similarity | NPC221864 |
0.8639 | High Similarity | NPC118633 |
0.8639 | High Similarity | NPC148693 |
0.8639 | High Similarity | NPC294790 |
0.8631 | High Similarity | NPC329969 |
0.8625 | High Similarity | NPC477564 |
0.8625 | High Similarity | NPC2295 |
0.8621 | High Similarity | NPC475754 |
0.8616 | High Similarity | NPC277669 |
0.8616 | High Similarity | NPC76213 |
0.8605 | High Similarity | NPC16357 |
0.8605 | High Similarity | NPC95426 |
0.8605 | High Similarity | NPC302245 |
0.8599 | High Similarity | NPC210437 |
0.8599 | High Similarity | NPC106295 |
0.8599 | High Similarity | NPC476144 |
0.8599 | High Similarity | NPC16107 |
0.8599 | High Similarity | NPC51957 |
0.8598 | High Similarity | NPC233650 |
0.8589 | High Similarity | NPC205167 |
0.8589 | High Similarity | NPC249274 |
0.8588 | High Similarity | NPC220961 |
0.8571 | High Similarity | NPC470925 |
0.8571 | High Similarity | NPC328750 |
0.8571 | High Similarity | NPC474915 |
0.8571 | High Similarity | NPC213206 |
0.8571 | High Similarity | NPC78284 |
0.8571 | High Similarity | NPC188163 |
0.8555 | High Similarity | NPC65312 |
0.8555 | High Similarity | NPC139783 |
0.8544 | High Similarity | NPC7467 |
0.8538 | High Similarity | NPC286119 |
0.8538 | High Similarity | NPC474506 |
0.8538 | High Similarity | NPC32413 |
0.8528 | High Similarity | NPC111485 |
0.8506 | High Similarity | NPC314682 |
0.8503 | High Similarity | NPC241055 |
0.8494 | Intermediate Similarity | NPC268503 |
0.8494 | Intermediate Similarity | NPC256012 |
0.8494 | Intermediate Similarity | NPC304659 |
0.8494 | Intermediate Similarity | NPC86144 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC12053 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.8896 | High Similarity | NPD2420 | Approved |
0.8896 | High Similarity | NPD2421 | Approved |
0.8614 | High Similarity | NPD27 | Approved |
0.8614 | High Similarity | NPD2489 | Approved |
0.8606 | High Similarity | NPD3051 | Approved |
0.8599 | High Similarity | NPD4584 | Approved |
0.8571 | High Similarity | NPD4664 | Clinical (unspecified phase) |
0.8555 | High Similarity | NPD7906 | Approved |
0.8554 | High Similarity | NPD2969 | Approved |
0.8554 | High Similarity | NPD2970 | Approved |
0.8488 | Intermediate Similarity | NPD8053 | Approved |
0.8488 | Intermediate Similarity | NPD8054 | Approved |
0.843 | Intermediate Similarity | NPD4577 | Approved |
0.843 | Intermediate Similarity | NPD4578 | Approved |
0.843 | Intermediate Similarity | NPD7313 | Approved |
0.843 | Intermediate Similarity | NPD7312 | Approved |
0.843 | Intermediate Similarity | NPD7311 | Approved |
0.843 | Intermediate Similarity | NPD7310 | Approved |
0.8391 | Intermediate Similarity | NPD4663 | Approved |
0.8382 | Intermediate Similarity | NPD7309 | Approved |
0.8293 | Intermediate Similarity | NPD6818 | Clinical (unspecified phase) |
0.8284 | Intermediate Similarity | NPD2898 | Approved |
0.8176 | Intermediate Similarity | NPD5241 | Discontinued |
0.8166 | Intermediate Similarity | NPD4010 | Discontinued |
0.8155 | Intermediate Similarity | NPD7201 | Clinical (unspecified phase) |
0.8125 | Intermediate Similarity | NPD2422 | Clinical (unspecified phase) |
0.8125 | Intermediate Similarity | NPD3845 | Phase 1 |
0.8081 | Intermediate Similarity | NPD8099 | Discontinued |
0.8081 | Intermediate Similarity | NPD8252 | Approved |
0.8081 | Intermediate Similarity | NPD8251 | Approved |
0.807 | Intermediate Similarity | NPD4481 | Phase 3 |
0.8045 | Intermediate Similarity | NPD2488 | Approved |
0.8045 | Intermediate Similarity | NPD2490 | Approved |
0.8036 | Intermediate Similarity | NPD7831 | Phase 2 |
0.8036 | Intermediate Similarity | NPD7832 | Clinical (unspecified phase) |
0.8036 | Intermediate Similarity | NPD7833 | Phase 2 |
0.8035 | Intermediate Similarity | NPD8156 | Discontinued |
0.8011 | Intermediate Similarity | NPD3534 | Clinical (unspecified phase) |
0.7976 | Intermediate Similarity | NPD6788 | Approved |
0.7946 | Intermediate Similarity | NPD3450 | Approved |
0.7946 | Intermediate Similarity | NPD2493 | Approved |
0.7946 | Intermediate Similarity | NPD2494 | Approved |
0.7946 | Intermediate Similarity | NPD3452 | Approved |
0.7939 | Intermediate Similarity | NPD4017 | Approved |
0.7914 | Intermediate Similarity | NPD1754 | Clinical (unspecified phase) |
0.7904 | Intermediate Similarity | NPD7298 | Approved |
0.7853 | Intermediate Similarity | NPD8453 | Clinical (unspecified phase) |
0.7849 | Intermediate Similarity | NPD6071 | Discontinued |
0.7844 | Intermediate Similarity | NPD4773 | Phase 2 |
0.7844 | Intermediate Similarity | NPD4772 | Phase 2 |
0.7819 | Intermediate Similarity | NPD4583 | Approved |
0.7819 | Intermediate Similarity | NPD4582 | Approved |
0.7811 | Intermediate Similarity | NPD2560 | Approved |
0.7811 | Intermediate Similarity | NPD2563 | Approved |
0.7771 | Intermediate Similarity | NPD3110 | Approved |
0.7771 | Intermediate Similarity | NPD3109 | Approved |
0.7766 | Intermediate Similarity | NPD4002 | Approved |
0.7766 | Intermediate Similarity | NPD4004 | Approved |
0.7765 | Intermediate Similarity | NPD4581 | Clinical (unspecified phase) |
0.773 | Intermediate Similarity | NPD2975 | Approved |
0.773 | Intermediate Similarity | NPD2974 | Approved |
0.773 | Intermediate Similarity | NPD2973 | Approved |
0.7711 | Intermediate Similarity | NPD3639 | Approved |
0.7711 | Intermediate Similarity | NPD6031 | Approved |
0.7711 | Intermediate Similarity | NPD6030 | Approved |
0.7711 | Intermediate Similarity | NPD3641 | Approved |
0.7711 | Intermediate Similarity | NPD3640 | Phase 3 |
0.7709 | Intermediate Similarity | NPD2968 | Approved |
0.7709 | Intermediate Similarity | NPD2971 | Approved |
0.7688 | Intermediate Similarity | NPD6028 | Clinical (unspecified phase) |
0.7688 | Intermediate Similarity | NPD6029 | Clinical (unspecified phase) |
0.7676 | Intermediate Similarity | NPD7667 | Clinical (unspecified phase) |
0.764 | Intermediate Similarity | NPD1632 | Clinical (unspecified phase) |
0.7616 | Intermediate Similarity | NPD4055 | Discovery |
0.7607 | Intermediate Similarity | NPD5177 | Phase 3 |
0.7606 | Intermediate Similarity | NPD4580 | Approved |
0.7602 | Intermediate Similarity | NPD7047 | Phase 3 |
0.758 | Intermediate Similarity | NPD5156 | Approved |
0.758 | Intermediate Similarity | NPD5155 | Approved |
0.7578 | Intermediate Similarity | NPD1753 | Discontinued |
0.755 | Intermediate Similarity | NPD6997 | Phase 2 |
0.7545 | Intermediate Similarity | NPD6090 | Discontinued |
0.7544 | Intermediate Similarity | NPD2978 | Approved |
0.7544 | Intermediate Similarity | NPD2977 | Approved |
0.7532 | Intermediate Similarity | NPD5718 | Phase 2 |
0.7528 | Intermediate Similarity | NPD6042 | Phase 2 |
0.7528 | Intermediate Similarity | NPD42 | Phase 2 |
0.7516 | Intermediate Similarity | NPD2606 | Approved |
0.7516 | Intermediate Similarity | NPD2605 | Approved |
0.7516 | Intermediate Similarity | NPD3595 | Approved |
0.7516 | Intermediate Similarity | NPD3594 | Approved |
0.7515 | Intermediate Similarity | NPD5307 | Clinical (unspecified phase) |
0.7515 | Intermediate Similarity | NPD7261 | Clinical (unspecified phase) |
0.7515 | Intermediate Similarity | NPD5084 | Clinical (unspecified phase) |
0.7514 | Intermediate Similarity | NPD5602 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD3060 | Approved |
0.7486 | Intermediate Similarity | NPD7802 | Discontinued |
0.7485 | Intermediate Similarity | NPD4726 | Approved |
0.7485 | Intermediate Similarity | NPD4721 | Approved |
0.7485 | Intermediate Similarity | NPD2029 | Clinical (unspecified phase) |
0.7485 | Intermediate Similarity | NPD4725 | Approved |
0.7484 | Intermediate Similarity | NPD2674 | Phase 3 |
0.7468 | Intermediate Similarity | NPD2669 | Clinical (unspecified phase) |
0.7452 | Intermediate Similarity | NPD3636 | Approved |
0.7452 | Intermediate Similarity | NPD3637 | Approved |
0.7452 | Intermediate Similarity | NPD3635 | Approved |
0.7448 | Intermediate Similarity | NPD4040 | Phase 1 |
0.7444 | Intermediate Similarity | NPD6297 | Approved |
0.7381 | Intermediate Similarity | NPD4123 | Phase 3 |
0.7381 | Intermediate Similarity | NPD1424 | Approved |
0.7381 | Intermediate Similarity | NPD4160 | Clinical (unspecified phase) |
0.7375 | Intermediate Similarity | NPD4475 | Approved |
0.7375 | Intermediate Similarity | NPD4474 | Approved |
0.7344 | Intermediate Similarity | NPD3448 | Approved |
0.7344 | Intermediate Similarity | NPD2491 | Approved |
0.7344 | Intermediate Similarity | NPD3057 | Approved |
0.733 | Intermediate Similarity | NPD4666 | Phase 3 |
0.7321 | Intermediate Similarity | NPD3124 | Discontinued |
0.7312 | Intermediate Similarity | NPD3145 | Approved |
0.7312 | Intermediate Similarity | NPD3144 | Approved |
0.731 | Intermediate Similarity | NPD4005 | Discontinued |
0.7301 | Intermediate Similarity | NPD6895 | Approved |
0.7301 | Intermediate Similarity | NPD6896 | Approved |
0.7296 | Intermediate Similarity | NPD5752 | Clinical (unspecified phase) |
0.7289 | Intermediate Similarity | NPD4237 | Approved |
0.7289 | Intermediate Similarity | NPD4236 | Phase 3 |
0.7288 | Intermediate Similarity | NPD6107 | Approved |
0.7283 | Intermediate Similarity | NPD6853 | Approved |
0.7283 | Intermediate Similarity | NPD6851 | Approved |
0.7277 | Intermediate Similarity | NPD8095 | Phase 1 |
0.7273 | Intermediate Similarity | NPD5709 | Phase 3 |
0.7262 | Intermediate Similarity | NPD7124 | Phase 2 |
0.7262 | Intermediate Similarity | NPD6783 | Clinical (unspecified phase) |
0.7262 | Intermediate Similarity | NPD6666 | Approved |
0.7262 | Intermediate Similarity | NPD6667 | Approved |
0.7254 | Intermediate Similarity | NPD3533 | Approved |
0.7254 | Intermediate Similarity | NPD2972 | Approved |
0.7246 | Intermediate Similarity | NPD5754 | Discontinued |
0.7241 | Intermediate Similarity | NPD5772 | Approved |
0.7241 | Intermediate Similarity | NPD5773 | Approved |
0.7235 | Intermediate Similarity | NPD3647 | Clinical (unspecified phase) |
0.7229 | Intermediate Similarity | NPD4257 | Approved |
0.7229 | Intermediate Similarity | NPD4256 | Phase 2 |
0.7228 | Intermediate Similarity | NPD5917 | Clinical (unspecified phase) |
0.7225 | Intermediate Similarity | NPD4420 | Approved |
0.7225 | Intermediate Similarity | NPD6072 | Discontinued |
0.7222 | Intermediate Similarity | NPD2238 | Phase 2 |
0.7219 | Intermediate Similarity | NPD7598 | Phase 2 |
0.7216 | Intermediate Similarity | NPD5604 | Discontinued |
0.7209 | Intermediate Similarity | NPD6523 | Clinical (unspecified phase) |
0.7202 | Intermediate Similarity | NPD5160 | Discontinued |
0.7202 | Intermediate Similarity | NPD3692 | Discontinued |
0.7198 | Intermediate Similarity | NPD7479 | Phase 2 |
0.7195 | Intermediate Similarity | NPD7718 | Clinical (unspecified phase) |
0.7193 | Intermediate Similarity | NPD2122 | Discontinued |
0.7193 | Intermediate Similarity | NPD5976 | Discontinued |
0.7193 | Intermediate Similarity | NPD4727 | Phase 1 |
0.7189 | Intermediate Similarity | NPD7090 | Clinical (unspecified phase) |
0.7176 | Intermediate Similarity | NPD7447 | Phase 1 |
0.7174 | Intermediate Similarity | NPD7549 | Discontinued |
0.7168 | Intermediate Similarity | NPD4678 | Approved |
0.7168 | Intermediate Similarity | NPD4675 | Approved |
0.7157 | Intermediate Similarity | NPD7907 | Approved |
0.7151 | Intermediate Similarity | NPD6747 | Phase 1 |
0.7151 | Intermediate Similarity | NPD4166 | Phase 2 |
0.7143 | Intermediate Similarity | NPD4873 | Discontinued |
0.7143 | Intermediate Similarity | NPD2226 | Clinical (unspecified phase) |
0.7143 | Intermediate Similarity | NPD6748 | Discontinued |
0.7135 | Intermediate Similarity | NPD5677 | Discontinued |
0.7135 | Intermediate Similarity | NPD5261 | Clinical (unspecified phase) |
0.7134 | Intermediate Similarity | NPD2230 | Approved |
0.7134 | Intermediate Similarity | NPD823 | Approved |
0.7134 | Intermediate Similarity | NPD4579 | Clinical (unspecified phase) |
0.7134 | Intermediate Similarity | NPD2232 | Approved |
0.7134 | Intermediate Similarity | NPD2233 | Approved |
0.7134 | Intermediate Similarity | NPD817 | Approved |
0.7126 | Intermediate Similarity | NPD7037 | Approved |
0.7118 | Intermediate Similarity | NPD7213 | Phase 3 |
0.7118 | Intermediate Similarity | NPD7212 | Phase 2 |
0.7111 | Intermediate Similarity | NPD6687 | Approved |
0.7111 | Intermediate Similarity | NPD6688 | Approved |
0.7107 | Intermediate Similarity | NPD3053 | Approved |
0.7107 | Intermediate Similarity | NPD3055 | Approved |
0.7102 | Intermediate Similarity | NPD5978 | Approved |
0.7102 | Intermediate Similarity | NPD5977 | Approved |
0.7101 | Intermediate Similarity | NPD2677 | Approved |
0.71 | Intermediate Similarity | NPD7827 | Phase 1 |
0.7099 | Intermediate Similarity | NPD6812 | Clinical (unspecified phase) |
0.7097 | Intermediate Similarity | NPD4093 | Discontinued |
0.7093 | Intermediate Similarity | NPD1914 | Approved |
0.709 | Intermediate Similarity | NPD6656 | Clinical (unspecified phase) |
0.7089 | Intermediate Similarity | NPD1669 | Approved |
0.7083 | Intermediate Similarity | NPD4162 | Approved |
0.7079 | Intermediate Similarity | NPD7400 | Phase 3 |
0.7077 | Intermediate Similarity | NPD5005 | Approved |
0.7077 | Intermediate Similarity | NPD5006 | Approved |
0.7065 | Intermediate Similarity | NPD6996 | Clinical (unspecified phase) |
0.7062 | Intermediate Similarity | NPD4107 | Approved |
0.7059 | Intermediate Similarity | NPD4111 | Phase 1 |
0.7059 | Intermediate Similarity | NPD5087 | Clinical (unspecified phase) |
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.