Molecular Weight:   | 283.12 |
Volume:   | 301.751 |
LogP:   | 2.588 |
LogD:   | 2.883 |
LogS:   | -2.95 |
# Rotatable Bonds:   | 6 |
TPSA:   | 69.56 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 3 |
# Rings:   | 2 |
# Heavy Atoms:   | 4 |
QED Drug-Likeness Score:   | 0.738 |
Synthetic Accessibility Score:   | 1.9 |
Fsp3:   | 0.118 |
Lipinski Rule-of-5:   | Accepted |
Pfizer Rule:   | Accepted |
GSK Rule:   | Accepted |
BMS Rule:   | 0 |
Golden Triangle Rule:   | Accepted |
Chelating Alert:   | 0 |
PAINS Alert:   | 0 |
Caco-2 Permeability:   | -4.802 |
MDCK Permeability:   | 1.3262207176012453e-05 |
Pgp-inhibitor:   | 0.136 |
Pgp-substrate:   | 0.029 |
Human Intestinal Absorption (HIA):   | 0.042 |
20% Bioavailability (F20%):   | 0.037 |
30% Bioavailability (F30%):   | 0.033 |
Blood-Brain-Barrier Penetration (BBB):   | 0.128 |
Plasma Protein Binding (PPB):   | 95.74359130859375% |
Volume Distribution (VD):   | 0.641 |
Pgp-substrate:   | 3.1155812740325928% |
CYP1A2-inhibitor:   | 0.888 |
CYP1A2-substrate:   | 0.087 |
CYP2C19-inhibitor:   | 0.857 |
CYP2C19-substrate:   | 0.063 |
CYP2C9-inhibitor:   | 0.801 |
CYP2C9-substrate:   | 0.969 |
CYP2D6-inhibitor:   | 0.745 |
CYP2D6-substrate:   | 0.904 |
CYP3A4-inhibitor:   | 0.54 |
CYP3A4-substrate:   | 0.257 |
Clearance (CL):   | 13.885 |
Half-life (T1/2):   | 0.917 |
hERG Blockers:   | 0.316 |
Human Hepatotoxicity (H-HT):   | 0.178 |
Drug-inuced Liver Injury (DILI):   | 0.034 |
AMES Toxicity:   | 0.218 |
Rat Oral Acute Toxicity:   | 0.283 |
Maximum Recommended Daily Dose:   | 0.702 |
Skin Sensitization:   | 0.942 |
Carcinogencity:   | 0.44 |
Eye Corrosion:   | 0.003 |
Eye Irritation:   | 0.235 |
Respiratory Toxicity:   | 0.193 |
Natural Product ID:   | NPC24101 |
Common Name*:   | N-P-Coumaroyl Tyramine |
IUPAC Name:   | (E)-3-(4-hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide |
Synonyms:   | N-P-Coumaroyl Tyramine; N-P-Coumaroyltyramine; N-Trans-Coumaroyltyramine; Trans-N-Hydroxycinnamoyltyramine |
Standard InCHIKey:   | RXGUTQNKCXHALN-BJMVGYQFSA-N |
Standard InCHI:   | InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+ |
SMILES:   | Oc1ccc(cc1)CCN=C(/C=C/c1ccc(cc1)O)O |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL64286 |
PubChem CID:   |
5372945 |
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 |
---|---|---|---|---|---|---|---|---|
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1021/np50031a011] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | root | n.a. | DOI[10.1271/bbb1961.42.623] |
NPO19242 | Eucalyptus albens | Species | Myrtaceae | Eukaryota | flowers | n.a. | n.a. |
PMID[10075775] |
NPO11164 | Renealmia alpinia | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[10479331] |
NPO4865 | Piper kadsura | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[11040054] |
NPO7697 | Asimina triloba | Species | Annonaceae | Eukaryota | seeds | n.a. | n.a. |
PMID[11087592] |
NPO7395 | Tribulus terrestris | Species | Zygophyllaceae | Eukaryota | Fruits | n.a. | n.a. |
PMID[11141122] |
NPO12170 | Solanum indicum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[11575964] |
NPO17823 | Lycium chinense | Species | Solanaceae | Eukaryota | fruits | n.a. | n.a. |
PMID[12467621] |
NPO18443 | Aristolochia manshuriensis | Species | Aristolochiaceae | Eukaryota | Stems | n.a. | n.a. |
PMID[12880323] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[12932131] |
NPO31184 | Celtis chinensis | Species | Cannabaceae | Eukaryota | n.a. | twig | n.a. |
PMID[14560923] |
NPO19436 | Annona cherimola | Species | Annonaceae | Eukaryota | Seeds | n.a. | n.a. |
PMID[15387664] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[15516765] |
NPO7697 | Asimina triloba | Species | Annonaceae | Eukaryota | seeds | n.a. | n.a. |
PMID[15730242] |
NPO7697 | Asimina triloba | Species | Annonaceae | Eukaryota | n.a. | bark | n.a. |
PMID[1593281] |
NPO17823 | Lycium chinense | Species | Solanaceae | Eukaryota | n.a. | root | n.a. |
PMID[16212233] |
NPO4865 | Piper kadsura | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16724856] |
NPO13278 | Strychnos spinosa | Species | Loganiaceae | Eukaryota | Leaves | n.a. | n.a. |
PMID[17637068] |
NPO15233 | Balanophora japonica | Species | Balanophoraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18302336] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18303850] |
NPO19083 | Alstonia angustiloba | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18524603] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18681481] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19344127] |
NPO26741 | Anemarrhena asphodeloides | Species | Asparagaceae | Eukaryota | rhizomes | n.a. | n.a. |
PMID[19757853] |
NPO4865 | Piper kadsura | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19900811] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19919095] |
NPO32755 | erycibe hainanesis | Species | Convolvulaceae | Eukaryota | roots and stems | Hainan Province, China | 2008-Mar |
PMID[20092289] |
NPO18443 | Aristolochia manshuriensis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20097074] |
NPO9261 | Ophiopogon japonicus | Species | Asparagaceae | Eukaryota | roots | n.a. | n.a. |
PMID[20346658] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20460582] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20973550] |
NPO18443 | Aristolochia manshuriensis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21353775] |
NPO26741 | Anemarrhena asphodeloides | Species | Asparagaceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[21370894] |
NPO17759 | Rhododendron mucronulatum | Species | Ericaceae | Eukaryota | n.a. | stem | n.a. |
PMID[21443171] |
NPO1338 | Arcangelisia gusanlung | Species | Menispermaceae | Eukaryota | n.a. | stem | n.a. |
PMID[21500777] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | aerial part | n.a. |
PMID[21902175] |
NPO32523 | solanum violaceum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22413887] |
NPO5470 | Cynoglossum amabile | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22432912] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | flower buds and leaves | Khon Kaen province, Thailand | 2010 |
PMID[23270663] |
NPO17823 | Lycium chinense | Species | Solanaceae | Eukaryota | root bark | n.a. | n.a. |
PMID[23282106] |
NPO9261 | Ophiopogon japonicus | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23439553] |
NPO18602 | Melampodium leucanthum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23501116] |
NPO32523 | solanum violaceum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23511021] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Leaves | n.a. | n.a. |
PMID[23642481] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23700450] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[23849114] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24310066] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[25172746] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | seed | n.a. |
PMID[25433632] |
NPO18602 | Melampodium leucanthum | Species | Asteraceae | Eukaryota | leaves and branches | San Antonio, Texas | 2004-JUN |
PMID[25685941] |
NPO18602 | Melampodium leucanthum | Species | Asteraceae | Eukaryota | leaves and branches | n.a. | n.a. |
PMID[25685941] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26000707] |
NPO17296 | Beesia calthifolia | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26238319] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Flowers | n.a. | n.a. |
PMID[26462418] |
NPO2330 | Alchornea cordifolia | Species | Euphorbiaceae | Eukaryota | n.a. | stem | n.a. |
PMID[26724423] |
NPO2330 | Alchornea cordifolia | Species | Euphorbiaceae | Eukaryota | n.a. | root | n.a. |
PMID[26724423] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | seed | n.a. |
PMID[26860358] |
NPO40203 | Miliusa cuneata | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26928423] |
NPO17823 | Lycium chinense | Species | Solanaceae | Eukaryota | Root Bark | n.a. | n.a. |
PMID[26982999] |
NPO17083 | Atraphaxis frutescens | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[28006914] |
NPO2722 | Humulus japonicus | Species | Cannabaceae | Eukaryota | Aerial Parts | n.a. | n.a. |
PMID[29254897] |
NPO18676 | Clerodendrum trichotomum | Species | Lamiaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[29924604] |
NPO7697 | Asimina triloba | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[30028612] |
NPO2519 | Tinospora baenzigeri | Species | Menispermaceae | Eukaryota | Stems | n.a. | n.a. |
PMID[31135149] |
NPO23429 | Lycium barbarum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[31397570] |
NPO40096 | Dasymaschalon dasymaschalum | Species | Annonaceae | Eukaryota | Twigs | n.a. | n.a. |
PMID[31661271] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[31742403] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | n.a. |
PMID[31861466] |
|
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[32880179] |
NPO41079 | Toddalia asiatica | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[33001647] |
NPO4865 | Piper kadsura | Species | Piperaceae | Eukaryota | n.a. | aerial part | n.a. |
PMID[8237383] |
NPO4865 | Piper kadsura | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8237383] |
NPO4865 | Piper kadsura | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8368081] |
NPO26741 | Anemarrhena asphodeloides | Species | Asparagaceae | Eukaryota | Rhizomes | n.a. | n.a. |
PMID[8482946] |
NPO7697 | Asimina triloba | Species | Annonaceae | Eukaryota | seeds | n.a. | n.a. |
PMID[8676130] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8910532] |
NPO7697 | Asimina triloba | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8946743] |
NPO17823 | Lycium chinense | Species | Solanaceae | Eukaryota | fruits | n.a. | n.a. |
PMID[9090870] |
NPO11164 | Renealmia alpinia | Species | Zingiberaceae | Eukaryota | n.a. | Suriname rainforest | n.a. |
PMID[9428162] |
NPO9261 | Ophiopogon japonicus | Species | Asparagaceae | Eukaryota | n.a. | tuber | n.a. | Database[Article] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[Article] |
NPO9261 | Ophiopogon japonicus | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[Article] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | Protoplast | n.a. | n.a. | Database[FooDB] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Resin, Exudate, Sap | n.a. | n.a. | Database[FooDB] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Rhizome | n.a. | n.a. | Database[FooDB] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO19436 | Annona cherimola | Species | Annonaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO19436 | Annona cherimola | Species | Annonaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO19436 | Annona cherimola | Species | Annonaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | Shoot | n.a. | n.a. | Database[FooDB] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Tissue Culture | n.a. | n.a. | Database[FooDB] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO19436 | Annona cherimola | Species | Annonaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Pericarp | n.a. | n.a. | Database[FooDB] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | Petiole | n.a. | n.a. | Database[FooDB] |
NPO4865 | Piper kadsura | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO5740 | Phellodendron japonicum | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13278 | Strychnos spinosa | Species | Loganiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO15233 | Balanophora japonica | Species | Balanophoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13737 | Tephroseris kirilowii | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO18443 | Aristolochia manshuriensis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO18765 | Juniperus scopulorum | Species | Cupressaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO23429 | Lycium barbarum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17823 | Lycium chinense | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7395 | Tribulus terrestris | Species | Zygophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1783 | Euonymus fortunei | Species | Celastraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO5470 | Cynoglossum amabile | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO9927 | Crinum asiaticum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3630 | Crotalaria crispata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO9261 | Ophiopogon japonicus | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17759 | Rhododendron mucronulatum | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO26741 | Anemarrhena asphodeloides | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO19769 | Boschniakia rossica | Species | Orobanchaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO2722 | Humulus japonicus | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | seed | n.a. | Database[MetaboLights] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO18676 | Clerodendrum trichotomum | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO26741 | Anemarrhena asphodeloides | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5740 | Phellodendron japonicum | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO24402.1 | Coffea liberica var. dewevrei | Varieties | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO2519 | Tinospora baenzigeri | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8251 | Cortex lycii radicis | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17823 | Lycium chinense | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10098 | Glycosmis pseudoracemosa | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO18765 | Juniperus scopulorum | Species | Cupressaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO18443 | Aristolochia manshuriensis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5470 | Cynoglossum amabile | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO4865 | Piper kadsura | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11967 | Delphinium giraldii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12487 | Juniperus horizontalis | Species | Cupressaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8543 | Meconopsis horridula | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12170 | Solanum indicum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13358 | Piper brachystachyum | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17759 | Rhododendron mucronulatum | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17296 | Beesia calthifolia | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14233 | Ormosia dasycarpa | Species | Limoniidae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7395 | Tribulus terrestris | Species | Zygophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO15233 | Balanophora japonica | Species | Balanophoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23772 | Tetradium glabrifolium | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO2722 | Humulus japonicus | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9927 | Crinum asiaticum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7697 | Asimina triloba | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23429 | Lycium barbarum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13278 | Strychnos spinosa | Species | Loganiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO19769 | Boschniakia rossica | Species | Orobanchaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13737 | Tephroseris kirilowii | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3630 | Crotalaria crispata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO1783 | Euonymus fortunei | Species | Celastraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9261 | Ophiopogon japonicus | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO18765 | Juniperus scopulorum | Species | Cupressaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO5470 | Cynoglossum amabile | Species | Boraginaceae | 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] |
NPO2722 | Humulus japonicus | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO9261 | Ophiopogon japonicus | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO17823 | Lycium chinense | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO26741 | Anemarrhena asphodeloides | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO4865 | Piper kadsura | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7395 | Tribulus terrestris | Species | Zygophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO19769 | Boschniakia rossica | Species | Orobanchaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO23429 | Lycium barbarum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO17759 | Rhododendron mucronulatum | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO17823 | Lycium chinense | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO7395 | Tribulus terrestris | Species | Zygophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO23429 | Lycium barbarum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO26741 | Anemarrhena asphodeloides | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO9261 | Ophiopogon japonicus | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO4865 | Piper kadsura | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO5455 | Euploca racemosa | Species | Heliotropiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25370 | Botrychium ternatum | Species | Ophioglossaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12914 | Sarcophyton flexuosum | Species | Alcyoniidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24402.1 | Coffea liberica var. dewevrei | Varieties | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2519 | Tinospora baenzigeri | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1783 | Euonymus fortunei | Species | Celastraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9906 | Zephyranthes flava | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18424 | Selinum libanotis | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29531 | Lupinus cosentinii | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12170 | Solanum indicum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19083 | Alstonia angustiloba | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13737 | Tephroseris kirilowii | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17114 | Streptomyces melanogenes | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18927 | Clinacanthus nutans | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15329 | Rhizoplaca baranowii | Species | Lecanoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17354 | Micromonospora echinospora | Species | Micromonosporaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19170 | Lasianthaea podocephala | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13278 | Strychnos spinosa | Species | Loganiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29450 | Streptomyces parvisporogenes | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19572 | Pellacalyx axillaris | Species | Rhizophoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13848 | Amomum daniellii | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9261 | Ophiopogon japonicus | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11081 | Baccharis grandicapitulata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12870 | Curcuma aeruginosa | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26741 | Anemarrhena asphodeloides | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14947 | Lathyrus tingitanus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16135 | Pestalotiopsis oenotherae | Species | Sporocadaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8543 | Meconopsis horridula | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17759 | Rhododendron mucronulatum | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18765 | Juniperus scopulorum | Species | Cupressaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11967 | Delphinium giraldii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2722 | Humulus japonicus | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6906 | Atalantia wightii | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5470 | Cynoglossum amabile | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7697 | Asimina triloba | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18873.2 | Salmonella enterica subsp. enterica serovar bovismorbificans | Subspecies | Enterobacteriaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4674 | Gaillardia powellii | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16981 | Gutierrezia dracunculoides | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15233 | Balanophora japonica | Species | Balanophoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12487 | Juniperus horizontalis | Species | Cupressaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11164 | Renealmia alpinia | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23772 | Tetradium glabrifolium | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9485 | Haplopappus deserticola | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13647 | Calcarisporium thermophilum | Species | n.a. | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12223 | Stellaria media | Species | Caryophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1412 | Artemisia juncea | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11430 | Inula grantioides | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19709 | Pseudocyphellaria australiensis | Species | Lobariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5740 | Phellodendron japonicum | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15802 | Papaver pseudocanescens | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17230 | Psidium acutangulum | Species | Myrtaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15127 | Senecio congestus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17499 | Bursera kerberi | Species | Burseraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13358 | Piper brachystachyum | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11000 | Eupatorium laevigatum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19242 | Eucalyptus albens | Species | Myrtaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19371 | Costasiella ocellifera | Species | Costasiellidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11473 | Viburnum lantana | Species | Adoxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18262 | Aspergillus microcysticus | Species | Aspergillaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14526 | Plectranthus caninus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16325 | Sideritis dasygnaphala | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18169 | Creosphaeria sassafras | Species | Xylariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2330 | Alchornea cordifolia | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1109 | Corydalis persica | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16801 | Cota tinctoria | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19436 | Annona cherimola | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17823 | Lycium chinense | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18348 | Crotalaria stolzii | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15145 | Rauvolfia salicifolia | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5398 | Peucedanum oroselinum | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18048 | Phlomis crinita | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4679 | Hedysarum gmelini | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7395 | Tribulus terrestris | Species | Zygophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9144 | Atriplex parvifolia | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14233 | Ormosia dasycarpa | Species | Limoniidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19769 | Boschniakia rossica | Species | Orobanchaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23429 | Lycium barbarum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8172 | Emericellopsis minima | Species | n.a. | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7521 | Hygrophorus eburneus | Species | Hygrophoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17083 | Atraphaxis frutescens | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10098 | Glycosmis pseudoracemosa | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18602 | Melampodium leucanthum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18533 | Delisea elegans | Species | Bonnemaisoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19018 | Senecio provincialis | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17630 | Helenium integrifolium | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19776 | Hesperocyparis arizonica | Species | Cupressaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17296 | Beesia calthifolia | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11646 | Morella pensylvanica | Species | Myricaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3965 | Corynanthe pachyceras | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9927 | Crinum asiaticum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18676 | Clerodendrum trichotomum | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO968 | Artemisia pectinata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3630 | Crotalaria crispata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1338 | Arcangelisia gusanlung | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3761 | Plectosphaerella cucumerina | Species | Plectosphaerellaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1759 | Alexandrium excavatum | Species | Gonyaulacaceae | 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 |
---|---|---|---|---|---|---|---|---|
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | = | 3.24 | ug ml-1 | PMID[515024] |
NPT83 | Cell Line | MCF7 | Homo sapiens | ED50 | = | 7.16 | 10'-1 ug/ml | PMID[515024] |
NPT139 | Cell Line | HT-29 | Homo sapiens | ED50 | = | 6.74 | 10'-1 ug/ml | PMID[515024] |
NPT43 | Individual Protein | Tyrosinase | Agaricus bisporus | IC50 | > | 1000000.0 | nM | PMID[515027] |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | n.a. | 5000.35 | nM | PMID[515028] |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | n.a. | 7161.43 | nM | PMID[515028] |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | n.a. | 3491.4 | nM | PMID[515028] |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | n.a. | 11091.75 | nM | PMID[515028] |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | n.a. | 5140.44 | nM | PMID[515028] |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | n.a. | 3580.96 | nM | PMID[515028] |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | n.a. | 3133.29 | nM | PMID[515028] |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | n.a. | 11994.99 | nM | PMID[515028] |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | n.a. | 5597.58 | nM | PMID[515028] |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | n.a. | 8933.05 | nM | PMID[515028] |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | n.a. | 3622.43 | nM | PMID[515028] |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | n.a. | 4017.91 | nM | PMID[515028] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | n.a. | 3723.92 | nM | PMID[515028] |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | n.a. | 3380.65 | nM | PMID[515028] |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | n.a. | 10209.39 | nM | PMID[515028] |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | n.a. | 6950.24 | nM | PMID[515028] |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | n.a. | 8629.79 | nM | PMID[515028] |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | n.a. | 7533.56 | nM | PMID[515028] |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | n.a. | 4064.43 | nM | PMID[515028] |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | n.a. | 9571.94 | nM | PMID[515028] |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | n.a. | 3047.89 | nM | PMID[515028] |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | n.a. | 8570.38 | nM | PMID[515028] |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | n.a. | 7413.1 | nM | PMID[515028] |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | n.a. | 11194.38 | nM | PMID[515028] |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | n.a. | 10185.91 | nM | PMID[515028] |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | n.a. | 8298.51 | nM | PMID[515028] |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | n.a. | 8128.31 | nM | PMID[515028] |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | n.a. | 2985.38 | nM | PMID[515028] |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | n.a. | 12502.59 | nM | PMID[515028] |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 9.57 | ug.mL-1 | PMID[515029] |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 20.0 | ug.mL-1 | PMID[515029] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 15.21 | ug.mL-1 | PMID[515029] |
NPT1031 | Cell Line | Ca9-22 | Homo sapiens | IC50 | = | 12.28 | ug.mL-1 | PMID[515029] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | > | 20.0 | ug.mL-1 | PMID[515029] |
NPT65 | Cell Line | HepG2 | Homo sapiens | Inhibition | = | 39.0 | % | PMID[515037] |
NPT91 | Cell Line | KB | Homo sapiens | IC50 | > | 47800.0 | nM | PMID[515039] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | IC50 | > | 47800.0 | nM | PMID[515039] |
NPT2 | Others | Unspecified | IC50 | > | 300000.0 | nM | PMID[515022] | |
NPT2 | Others | Unspecified | IC50 | = | 21000.0 | nM | PMID[515022] | |
NPT2 | Others | Unspecified | IC50 | = | 200000.0 | nM | PMID[515022] | |
NPT1837 | Protein Complex | Glutamate NMDA receptor; Grin1/Grin2a | Rattus norvegicus | IC50 | > | 100000.0 | nM | PMID[515023] |
NPT1838 | Protein Complex | Glutamate NMDA receptor; Grin1/Grin2b | Rattus norvegicus | IC50 | = | 21000.0 | nM | PMID[515023] |
NPT1839 | Protein Complex | Glutamate NMDA receptor; Grin1/Grin2c | Rattus norvegicus | IC50 | > | 100000.0 | nM | PMID[515023] |
NPT140 | Organism | Artemia | Artemia | LC50 | = | 6.7 | ug.mL-1 | PMID[515024] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 8400.0 | nM | PMID[515025] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 11.23 | ug.mL-1 | PMID[515029] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Inhibition | = | 23.24 | % | PMID[515029] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Inhibition | = | -0.17 | % | PMID[515029] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 52600.0 | nM | PMID[515031] |
NPT1 | Others | Radical scavenging activity | IC50 | = | 63500.0 | nM | PMID[515031] | |
NPT2 | Others | Unspecified | IC50 | = | 420.0 | nM | PMID[515033] | |
NPT2 | Others | Unspecified | Ki | = | 350.0 | nM | PMID[515033] | |
NPT2 | Others | Unspecified | Ratio | = | 1.029 | n.a. | PMID[515033] | |
NPT2 | Others | Unspecified | Ratio | = | 1.037 | n.a. | PMID[515033] | |
NPT2 | Others | Unspecified | Ratio | = | 1.053 | n.a. | PMID[515033] | |
NPT2 | Others | Unspecified | Ratio | = | 1.034 | n.a. | PMID[515033] | |
NPT35 | Others | n.a. | IC50 | > | 200000.0 | nM | PMID[515034] | |
NPT2 | Others | Unspecified | IC50 | = | 92400.0 | nM | PMID[515034] | |
NPT2 | Others | Unspecified | IC50 | > | 5000000.0 | nM | PMID[515034] | |
NPT26834 | ORGANISM | Paracoccus sp. | Paracoccus sp. | EC50 | > | 300000.0 | nM | PMID[515035] |
NPT26835 | ORGANISM | Pseudoalteromonas lipolytica | Pseudoalteromonas lipolytica | EC50 | > | 300000.0 | nM | PMID[515035] |
NPT26836 | ORGANISM | Pseudoalteromonas ulvae | Pseudoalteromonas ulvae | EC50 | = | 75500.0 | nM | PMID[515035] |
NPT2 | Others | Unspecified | IC50 | = | 4500.0 | nM | PMID[515038] | |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | > | 47800.0 | nM | PMID[515039] |
☑ 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 NPC24101 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 | NPC96224 |
0.951 | High Similarity | NPC142297 |
0.9417 | High Similarity | NPC153690 |
0.9412 | High Similarity | NPC231705 |
0.9307 | High Similarity | NPC178902 |
0.9174 | High Similarity | NPC283468 |
0.9143 | High Similarity | NPC258056 |
0.9091 | High Similarity | NPC122009 |
0.9083 | High Similarity | NPC82963 |
0.9057 | High Similarity | NPC474149 |
0.9 | High Similarity | NPC38458 |
0.9 | High Similarity | NPC311737 |
0.8839 | High Similarity | NPC268572 |
0.8727 | High Similarity | NPC118202 |
0.8673 | High Similarity | NPC43275 |
0.8649 | High Similarity | NPC317254 |
0.8596 | High Similarity | NPC263835 |
0.8558 | High Similarity | NPC155847 |
0.8558 | High Similarity | NPC289381 |
0.8482 | Intermediate Similarity | NPC37302 |
0.8462 | Intermediate Similarity | NPC125732 |
0.8431 | Intermediate Similarity | NPC151715 |
0.8393 | Intermediate Similarity | NPC142599 |
0.839 | Intermediate Similarity | NPC62101 |
0.839 | Intermediate Similarity | NPC95733 |
0.8365 | Intermediate Similarity | NPC107619 |
0.8362 | Intermediate Similarity | NPC284078 |
0.835 | Intermediate Similarity | NPC26244 |
0.8348 | Intermediate Similarity | NPC283760 |
0.8333 | Intermediate Similarity | NPC251571 |
0.8319 | Intermediate Similarity | NPC303370 |
0.8305 | Intermediate Similarity | NPC211218 |
0.8291 | Intermediate Similarity | NPC474862 |
0.8288 | Intermediate Similarity | NPC166837 |
0.8269 | Intermediate Similarity | NPC132271 |
0.8269 | Intermediate Similarity | NPC292730 |
0.8269 | Intermediate Similarity | NPC216520 |
0.8269 | Intermediate Similarity | NPC82664 |
0.8269 | Intermediate Similarity | NPC473388 |
0.8269 | Intermediate Similarity | NPC33168 |
0.8264 | Intermediate Similarity | NPC155838 |
0.8235 | Intermediate Similarity | NPC45040 |
0.8197 | Intermediate Similarity | NPC35961 |
0.8197 | Intermediate Similarity | NPC52029 |
0.8197 | Intermediate Similarity | NPC195749 |
0.8167 | Intermediate Similarity | NPC29477 |
0.8115 | Intermediate Similarity | NPC325651 |
0.8113 | Intermediate Similarity | NPC51333 |
0.8113 | Intermediate Similarity | NPC78119 |
0.8113 | Intermediate Similarity | NPC132078 |
0.8113 | Intermediate Similarity | NPC216468 |
0.8099 | Intermediate Similarity | NPC301713 |
0.8077 | Intermediate Similarity | NPC128062 |
0.8073 | Intermediate Similarity | NPC211551 |
0.8065 | Intermediate Similarity | NPC214869 |
0.8051 | Intermediate Similarity | NPC83279 |
0.8049 | Intermediate Similarity | NPC474091 |
0.8039 | Intermediate Similarity | NPC280347 |
0.8039 | Intermediate Similarity | NPC177420 |
0.8037 | Intermediate Similarity | NPC29601 |
0.8037 | Intermediate Similarity | NPC213730 |
0.8034 | Intermediate Similarity | NPC256369 |
0.8034 | Intermediate Similarity | NPC319950 |
0.8019 | Intermediate Similarity | NPC201967 |
0.8 | Intermediate Similarity | NPC175313 |
0.8 | Intermediate Similarity | NPC274678 |
0.8 | Intermediate Similarity | NPC203076 |
0.7984 | Intermediate Similarity | NPC473724 |
0.7984 | Intermediate Similarity | NPC45191 |
0.7984 | Intermediate Similarity | NPC326966 |
0.7984 | Intermediate Similarity | NPC114102 |
0.7963 | Intermediate Similarity | NPC7686 |
0.7963 | Intermediate Similarity | NPC91461 |
0.7963 | Intermediate Similarity | NPC40258 |
0.7961 | Intermediate Similarity | NPC55561 |
0.7946 | Intermediate Similarity | NPC145638 |
0.7946 | Intermediate Similarity | NPC290566 |
0.7944 | Intermediate Similarity | NPC92730 |
0.7944 | Intermediate Similarity | NPC130193 |
0.7941 | Intermediate Similarity | NPC25493 |
0.7941 | Intermediate Similarity | NPC113460 |
0.7921 | Intermediate Similarity | NPC197783 |
0.792 | Intermediate Similarity | NPC244866 |
0.7917 | Intermediate Similarity | NPC471314 |
0.7917 | Intermediate Similarity | NPC471315 |
0.7905 | Intermediate Similarity | NPC76938 |
0.79 | Intermediate Similarity | NPC265146 |
0.789 | Intermediate Similarity | NPC68055 |
0.789 | Intermediate Similarity | NPC168829 |
0.7886 | Intermediate Similarity | NPC153990 |
0.7886 | Intermediate Similarity | NPC296712 |
0.7886 | Intermediate Similarity | NPC186898 |
0.7885 | Intermediate Similarity | NPC270547 |
0.7874 | Intermediate Similarity | NPC6913 |
0.7864 | Intermediate Similarity | NPC318325 |
0.7864 | Intermediate Similarity | NPC172128 |
0.7864 | Intermediate Similarity | NPC98772 |
0.7864 | Intermediate Similarity | NPC123273 |
0.7864 | Intermediate Similarity | NPC242240 |
0.7857 | Intermediate Similarity | NPC267237 |
0.7851 | Intermediate Similarity | NPC307020 |
0.785 | Intermediate Similarity | NPC225464 |
0.7843 | Intermediate Similarity | NPC23167 |
0.7843 | Intermediate Similarity | NPC184169 |
0.784 | Intermediate Similarity | NPC475735 |
0.7833 | Intermediate Similarity | NPC27581 |
0.783 | Intermediate Similarity | NPC32714 |
0.7823 | Intermediate Similarity | NPC271808 |
0.7822 | Intermediate Similarity | NPC248817 |
0.7818 | Intermediate Similarity | NPC288411 |
0.7818 | Intermediate Similarity | NPC8931 |
0.7818 | Intermediate Similarity | NPC261573 |
0.7818 | Intermediate Similarity | NPC120693 |
0.7788 | Intermediate Similarity | NPC300017 |
0.7767 | Intermediate Similarity | NPC104216 |
0.7752 | Intermediate Similarity | NPC41473 |
0.7752 | Intermediate Similarity | NPC160607 |
0.7752 | Intermediate Similarity | NPC204848 |
0.7752 | Intermediate Similarity | NPC14600 |
0.7752 | Intermediate Similarity | NPC312770 |
0.7748 | Intermediate Similarity | NPC474839 |
0.7748 | Intermediate Similarity | NPC138942 |
0.7748 | Intermediate Similarity | NPC154899 |
0.7748 | Intermediate Similarity | NPC233396 |
0.7739 | Intermediate Similarity | NPC146422 |
0.7727 | Intermediate Similarity | NPC68269 |
0.7727 | Intermediate Similarity | NPC135784 |
0.7723 | Intermediate Similarity | NPC124436 |
0.7706 | Intermediate Similarity | NPC294741 |
0.7692 | Intermediate Similarity | NPC258219 |
0.7692 | Intermediate Similarity | NPC299583 |
0.7692 | Intermediate Similarity | NPC10286 |
0.7692 | Intermediate Similarity | NPC296898 |
0.7692 | Intermediate Similarity | NPC213 |
0.7686 | Intermediate Similarity | NPC142577 |
0.7685 | Intermediate Similarity | NPC32674 |
0.768 | Intermediate Similarity | NPC478147 |
0.7679 | Intermediate Similarity | NPC92623 |
0.7679 | Intermediate Similarity | NPC95178 |
0.7679 | Intermediate Similarity | NPC70843 |
0.7679 | Intermediate Similarity | NPC135464 |
0.7679 | Intermediate Similarity | NPC69332 |
0.7679 | Intermediate Similarity | NPC29989 |
0.7679 | Intermediate Similarity | NPC188677 |
0.7679 | Intermediate Similarity | NPC113457 |
0.7667 | Intermediate Similarity | NPC160120 |
0.7667 | Intermediate Similarity | NPC321133 |
0.7667 | Intermediate Similarity | NPC41801 |
0.7667 | Intermediate Similarity | NPC289330 |
0.7667 | Intermediate Similarity | NPC252817 |
0.7667 | Intermediate Similarity | NPC53596 |
0.7667 | Intermediate Similarity | NPC17388 |
0.7667 | Intermediate Similarity | NPC471308 |
0.7661 | Intermediate Similarity | NPC218323 |
0.7658 | Intermediate Similarity | NPC119860 |
0.7652 | Intermediate Similarity | NPC163674 |
0.7652 | Intermediate Similarity | NPC227553 |
0.7642 | Intermediate Similarity | NPC271440 |
0.7642 | Intermediate Similarity | NPC325292 |
0.7642 | Intermediate Similarity | NPC138117 |
0.7619 | Intermediate Similarity | NPC192 |
0.7619 | Intermediate Similarity | NPC151764 |
0.7615 | Intermediate Similarity | NPC214988 |
0.7615 | Intermediate Similarity | NPC275104 |
0.7603 | Intermediate Similarity | NPC318357 |
0.76 | Intermediate Similarity | NPC477839 |
0.7581 | Intermediate Similarity | NPC318965 |
0.7573 | Intermediate Similarity | NPC155393 |
0.757 | Intermediate Similarity | NPC316301 |
0.757 | Intermediate Similarity | NPC27323 |
0.7557 | Intermediate Similarity | NPC476989 |
0.7547 | Intermediate Similarity | NPC304541 |
0.7547 | Intermediate Similarity | NPC155908 |
0.7545 | Intermediate Similarity | NPC248573 |
0.7545 | Intermediate Similarity | NPC275053 |
0.7545 | Intermediate Similarity | NPC223393 |
0.7545 | Intermediate Similarity | NPC161571 |
0.7544 | Intermediate Similarity | NPC61885 |
0.7544 | Intermediate Similarity | NPC262365 |
0.7544 | Intermediate Similarity | NPC201959 |
0.7544 | Intermediate Similarity | NPC63698 |
0.7544 | Intermediate Similarity | NPC11554 |
0.7523 | Intermediate Similarity | NPC315921 |
0.7522 | Intermediate Similarity | NPC271274 |
0.7521 | Intermediate Similarity | NPC59387 |
0.752 | Intermediate Similarity | NPC476353 |
0.75 | Intermediate Similarity | NPC30506 |
0.75 | Intermediate Similarity | NPC328070 |
0.75 | Intermediate Similarity | NPC130595 |
0.75 | Intermediate Similarity | NPC93882 |
0.75 | Intermediate Similarity | NPC471511 |
0.75 | Intermediate Similarity | NPC85276 |
0.75 | Intermediate Similarity | NPC241891 |
0.75 | Intermediate Similarity | NPC323810 |
0.75 | Intermediate Similarity | NPC313650 |
0.75 | Intermediate Similarity | NPC407 |
0.75 | Intermediate Similarity | NPC471953 |
0.75 | Intermediate Similarity | NPC168861 |
0.75 | Intermediate Similarity | NPC307235 |
0.748 | Intermediate Similarity | NPC470706 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC24101 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 |
---|---|---|---|
0.8468 | Intermediate Similarity | NPD2229 | Approved |
0.8468 | Intermediate Similarity | NPD2234 | Approved |
0.8468 | Intermediate Similarity | NPD2228 | Approved |
0.8431 | Intermediate Similarity | NPD2934 | Approved |
0.8431 | Intermediate Similarity | NPD2933 | Approved |
0.835 | Intermediate Similarity | NPD2859 | Approved |
0.835 | Intermediate Similarity | NPD2860 | Approved |
0.825 | Intermediate Similarity | NPD7451 | Discontinued |
0.822 | Intermediate Similarity | NPD2337 | Clinical (unspecified phase) |
0.8205 | Intermediate Similarity | NPD3421 | Phase 3 |
0.8148 | Intermediate Similarity | NPD9610 | Approved |
0.8148 | Intermediate Similarity | NPD9608 | Approved |
0.8113 | Intermediate Similarity | NPD3020 | Approved |
0.8034 | Intermediate Similarity | NPD4093 | Discontinued |
0.7966 | Intermediate Similarity | NPD5238 | Clinical (unspecified phase) |
0.7949 | Intermediate Similarity | NPD5304 | Approved |
0.7949 | Intermediate Similarity | NPD5303 | Approved |
0.7946 | Intermediate Similarity | NPD9380 | Clinical (unspecified phase) |
0.7946 | Intermediate Similarity | NPD1792 | Phase 2 |
0.7917 | Intermediate Similarity | NPD2561 | Approved |
0.7917 | Intermediate Similarity | NPD2562 | Approved |
0.7851 | Intermediate Similarity | NPD4659 | Approved |
0.7851 | Intermediate Similarity | NPD1669 | Approved |
0.7838 | Intermediate Similarity | NPD1444 | Approved |
0.7838 | Intermediate Similarity | NPD1445 | Approved |
0.7797 | Intermediate Similarity | NPD1759 | Phase 1 |
0.7787 | Intermediate Similarity | NPD5310 | Approved |
0.7787 | Intermediate Similarity | NPD5311 | Approved |
0.7739 | Intermediate Similarity | NPD9379 | Approved |
0.7739 | Intermediate Similarity | NPD9377 | Approved |
0.7724 | Intermediate Similarity | NPD3055 | Approved |
0.7724 | Intermediate Similarity | NPD4104 | Clinical (unspecified phase) |
0.7724 | Intermediate Similarity | NPD4103 | Phase 2 |
0.7724 | Intermediate Similarity | NPD3053 | Approved |
0.7723 | Intermediate Similarity | NPD111 | Approved |
0.7712 | Intermediate Similarity | NPD16 | Approved |
0.7712 | Intermediate Similarity | NPD856 | Approved |
0.7712 | Intermediate Similarity | NPD1758 | Phase 1 |
0.7705 | Intermediate Similarity | NPD3676 | Clinical (unspecified phase) |
0.7667 | Intermediate Similarity | NPD2668 | Approved |
0.7667 | Intermediate Similarity | NPD2667 | Approved |
0.7647 | Intermediate Similarity | NPD2226 | Clinical (unspecified phase) |
0.7619 | Intermediate Similarity | NPD3136 | Phase 2 |
0.7619 | Intermediate Similarity | NPD2372 | Approved |
0.7615 | Intermediate Similarity | NPD6866 | Clinical (unspecified phase) |
0.7615 | Intermediate Similarity | NPD6867 | Clinical (unspecified phase) |
0.757 | Intermediate Similarity | NPD1432 | Clinical (unspecified phase) |
0.7563 | Intermediate Similarity | NPD317 | Approved |
0.7563 | Intermediate Similarity | NPD318 | Approved |
0.7557 | Intermediate Similarity | NPD7450 | Phase 2 |
0.7545 | Intermediate Similarity | NPD1242 | Phase 1 |
0.7538 | Intermediate Similarity | NPD3552 | Approved |
0.7538 | Intermediate Similarity | NPD3554 | Approved |
0.7538 | Intermediate Similarity | NPD3555 | Approved |
0.7538 | Intermediate Similarity | NPD3553 | Approved |
0.7523 | Intermediate Similarity | NPD9273 | Approved |
0.7521 | Intermediate Similarity | NPD1751 | Approved |
0.75 | Intermediate Similarity | NPD6809 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD5729 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD2674 | Phase 3 |
0.7479 | Intermediate Similarity | NPD9568 | Approved |
0.7478 | Intermediate Similarity | NPD3021 | Approved |
0.7478 | Intermediate Similarity | NPD3022 | Approved |
0.7459 | Intermediate Similarity | NPD1980 | Approved |
0.7459 | Intermediate Similarity | NPD1983 | Approved |
0.7459 | Intermediate Similarity | NPD1981 | Approved |
0.7458 | Intermediate Similarity | NPD1793 | Approved |
0.7458 | Intermediate Similarity | NPD1791 | Approved |
0.7442 | Intermediate Similarity | NPD6346 | Approved |
0.7422 | Intermediate Similarity | NPD3145 | Approved |
0.7422 | Intermediate Similarity | NPD3144 | Approved |
0.7422 | Intermediate Similarity | NPD2028 | Clinical (unspecified phase) |
0.7419 | Intermediate Similarity | NPD6583 | Phase 3 |
0.7419 | Intermediate Similarity | NPD6582 | Phase 2 |
0.7411 | Intermediate Similarity | NPD4656 | Approved |
0.7411 | Intermediate Similarity | NPD4658 | Approved |
0.7398 | Intermediate Similarity | NPD5351 | Clinical (unspecified phase) |
0.7398 | Intermediate Similarity | NPD5350 | Clinical (unspecified phase) |
0.7387 | Intermediate Similarity | NPD3028 | Approved |
0.7364 | Intermediate Similarity | NPD7477 | Discontinued |
0.7364 | Intermediate Similarity | NPD6405 | Approved |
0.7364 | Intermediate Similarity | NPD6407 | Approved |
0.7345 | Intermediate Similarity | NPD179 | Clinical (unspecified phase) |
0.7344 | Intermediate Similarity | NPD5155 | Approved |
0.7344 | Intermediate Similarity | NPD5156 | Approved |
0.7333 | Intermediate Similarity | NPD7066 | Clinical (unspecified phase) |
0.7323 | Intermediate Similarity | NPD4993 | Discontinued |
0.7323 | Intermediate Similarity | NPD3635 | Approved |
0.7323 | Intermediate Similarity | NPD3637 | Approved |
0.7323 | Intermediate Similarity | NPD3636 | Approved |
0.7321 | Intermediate Similarity | NPD4818 | Approved |
0.7321 | Intermediate Similarity | NPD4817 | Approved |
0.7321 | Intermediate Similarity | NPD940 | Approved |
0.7321 | Intermediate Similarity | NPD846 | Approved |
0.7317 | Intermediate Similarity | NPD1671 | Clinical (unspecified phase) |
0.7317 | Intermediate Similarity | NPD3143 | Discontinued |
0.7311 | Intermediate Similarity | NPD9618 | Approved |
0.7311 | Intermediate Similarity | NPD9614 | Approved |
0.7308 | Intermediate Similarity | NPD3062 | Approved |
0.7308 | Intermediate Similarity | NPD3061 | Approved |
0.7308 | Intermediate Similarity | NPD3059 | Approved |
0.7304 | Intermediate Similarity | NPD4095 | Clinical (unspecified phase) |
0.7288 | Intermediate Similarity | NPD821 | Approved |
0.7273 | Intermediate Similarity | NPD9613 | Approved |
0.7273 | Intermediate Similarity | NPD9616 | Approved |
0.7273 | Intermediate Similarity | NPD9615 | Approved |
0.7266 | Intermediate Similarity | NPD2605 | Approved |
0.7266 | Intermediate Similarity | NPD2606 | Approved |
0.7266 | Intermediate Similarity | NPD3595 | Approved |
0.7266 | Intermediate Similarity | NPD3594 | Approved |
0.7257 | Intermediate Similarity | NPD4231 | Approved |
0.7257 | Intermediate Similarity | NPD3682 | Approved |
0.7257 | Intermediate Similarity | NPD4229 | Approved |
0.7257 | Intermediate Similarity | NPD3680 | Approved |
0.725 | Intermediate Similarity | NPD256 | Approved |
0.725 | Intermediate Similarity | NPD255 | Approved |
0.7244 | Intermediate Similarity | NPD2194 | Approved |
0.7244 | Intermediate Similarity | NPD2195 | Approved |
0.7244 | Intermediate Similarity | NPD6584 | Phase 3 |
0.7236 | Intermediate Similarity | NPD9381 | Approved |
0.7236 | Intermediate Similarity | NPD9384 | Approved |
0.7213 | Intermediate Similarity | NPD316 | Approved |
0.72 | Intermediate Similarity | NPD2232 | Approved |
0.72 | Intermediate Similarity | NPD2233 | Approved |
0.72 | Intermediate Similarity | NPD2230 | Approved |
0.7197 | Intermediate Similarity | NPD3052 | Approved |
0.7197 | Intermediate Similarity | NPD5314 | Approved |
0.7197 | Intermediate Similarity | NPD2568 | Approved |
0.7197 | Intermediate Similarity | NPD3054 | Approved |
0.719 | Intermediate Similarity | NPD7325 | Clinical (unspecified phase) |
0.7185 | Intermediate Similarity | NPD7596 | Clinical (unspecified phase) |
0.7182 | Intermediate Similarity | NPD844 | Approved |
0.7182 | Intermediate Similarity | NPD1809 | Phase 2 |
0.7177 | Intermediate Similarity | NPD2688 | Clinical (unspecified phase) |
0.7165 | Intermediate Similarity | NPD1134 | Approved |
0.7165 | Intermediate Similarity | NPD1131 | Approved |
0.7165 | Intermediate Similarity | NPD1129 | Approved |
0.7165 | Intermediate Similarity | NPD1135 | Approved |
0.7165 | Intermediate Similarity | NPD1133 | Approved |
0.7156 | Intermediate Similarity | NPD845 | Approved |
0.7119 | Intermediate Similarity | NPD9280 | Clinical (unspecified phase) |
0.7119 | Intermediate Similarity | NPD4025 | Clinical (unspecified phase) |
0.7117 | Intermediate Similarity | NPD2487 | Clinical (unspecified phase) |
0.7111 | Intermediate Similarity | NPD7978 | Discontinued |
0.7105 | Intermediate Similarity | NPD3681 | Approved |
0.7105 | Intermediate Similarity | NPD3683 | Approved |
0.7097 | Intermediate Similarity | NPD2286 | Discontinued |
0.7087 | Intermediate Similarity | NPD9634 | Clinical (unspecified phase) |
0.708 | Intermediate Similarity | NPD3400 | Discontinued |
0.708 | Intermediate Similarity | NPD6331 | Phase 2 |
0.7077 | Intermediate Similarity | NPD1024 | Discontinued |
0.7073 | Intermediate Similarity | NPD2486 | Discontinued |
0.7071 | Intermediate Similarity | NPD7303 | Discontinued |
0.7064 | Intermediate Similarity | NPD6690 | Approved |
0.7063 | Intermediate Similarity | NPD2235 | Phase 2 |
0.7063 | Intermediate Similarity | NPD2231 | Phase 2 |
0.7063 | Intermediate Similarity | NPD3070 | Discontinued |
0.7049 | Intermediate Similarity | NPD3596 | Phase 2 |
0.7045 | Intermediate Similarity | NPD5837 | Clinical (unspecified phase) |
0.7025 | Intermediate Similarity | NPD475 | Phase 2 |
0.7023 | Intermediate Similarity | NPD3056 | Clinical (unspecified phase) |
0.7018 | Intermediate Similarity | NPD854 | Approved |
0.7018 | Intermediate Similarity | NPD855 | Approved |
0.7016 | Intermediate Similarity | NPD4235 | Clinical (unspecified phase) |
0.7009 | Intermediate Similarity | NPD9507 | Approved |
0.7008 | Intermediate Similarity | NPD9622 | Approved |
0.7008 | Intermediate Similarity | NPD4129 | Approved |
0.7008 | Intermediate Similarity | NPD1755 | Approved |
0.7008 | Intermediate Similarity | NPD3685 | Discontinued |
0.6991 | Remote Similarity | NPD9712 | Approved |
0.6977 | Remote Similarity | NPD9619 | Approved |
0.6977 | Remote Similarity | NPD9620 | Approved |
0.6977 | Remote Similarity | NPD9621 | Approved |
0.6975 | Remote Similarity | NPD4253 | Approved |
0.6975 | Remote Similarity | NPD4254 | Approved |
0.697 | Remote Similarity | NPD839 | Approved |
0.697 | Remote Similarity | NPD840 | Approved |
0.6967 | Remote Similarity | NPD709 | Approved |
0.6964 | Remote Similarity | NPD288 | Approved |
0.6963 | Remote Similarity | NPD4108 | Discontinued |
0.6957 | Remote Similarity | NPD5103 | Approved |
0.6953 | Remote Similarity | NPD7258 | Clinical (unspecified phase) |
0.694 | Remote Similarity | NPD1772 | Clinical (unspecified phase) |
0.694 | Remote Similarity | NPD2157 | Approved |
0.6935 | Remote Similarity | NPD6581 | Approved |
0.6935 | Remote Similarity | NPD6580 | Approved |
0.693 | Remote Similarity | NPD289 | Clinical (unspecified phase) |
0.6923 | Remote Similarity | NPD968 | Approved |
0.6923 | Remote Similarity | NPD1712 | Approved |
0.6917 | Remote Similarity | NPD2500 | Approved |
0.6917 | Remote Similarity | NPD2499 | Approved |
0.6912 | Remote Similarity | NPD2161 | Phase 2 |
0.6909 | Remote Similarity | NPD1812 | Approved |
0.6909 | Remote Similarity | NPD159 | Clinical (unspecified phase) |
0.6909 | Remote Similarity | NPD1814 | Approved |
0.6905 | Remote Similarity | NPD3294 | Phase 2 |
0.6905 | Remote Similarity | NPD3847 | Discontinued |
0.6903 | Remote Similarity | NPD9711 | Approved |
0.6903 | Remote Similarity | NPD9611 | Approved |
0.6903 | Remote Similarity | NPD9609 | Approved |
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.