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 | n.a. | n.a. |
PMID[25685941] |
NPO18602 | Melampodium leucanthum | Species | Asteraceae | Eukaryota | leaves and branches | San Antonio, Texas | 2004-JUN |
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. | n.a. | n.a. |
PMID[8237383] |
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[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] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[Article] |
NPO9261 | Ophiopogon japonicus | Species | Asparagaceae | Eukaryota | n.a. | tuber | n.a. | Database[Article] |
NPO9261 | Ophiopogon japonicus | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[Article] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | 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 | 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] |
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] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO19436 | Annona cherimola | Species | Annonaceae | 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 | Fruit | n.a. | n.a. | Database[FooDB] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | Shoot | n.a. | n.a. | Database[FooDB] |
NPO1783 | Euonymus fortunei | Species | Celastraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO4865 | Piper kadsura | Species | Piperaceae | 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] |
NPO5740 | Phellodendron japonicum | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO18443 | Aristolochia manshuriensis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7732 | Solanum melongena | 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] |
NPO19769 | Boschniakia rossica | Species | Orobanchaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO5470 | Cynoglossum amabile | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17823 | Lycium chinense | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO18765 | Juniperus scopulorum | Species | Cupressaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7395 | Tribulus terrestris | Species | Zygophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO9261 | Ophiopogon japonicus | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13278 | Strychnos spinosa | Species | Loganiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO26741 | Anemarrhena asphodeloides | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO15233 | Balanophora japonica | Species | Balanophoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3630 | Crotalaria crispata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17759 | Rhododendron mucronulatum | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13737 | Tephroseris kirilowii | Species | Asteraceae | 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. | 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] | |
NPO26741 | Anemarrhena asphodeloides | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13358 | Piper brachystachyum | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO18443 | Aristolochia manshuriensis | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14233 | Ormosia dasycarpa | Species | Limoniidae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12170 | Solanum indicum | 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] |
NPO7395 | Tribulus terrestris | Species | Zygophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23772 | Tetradium glabrifolium | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17823 | Lycium chinense | 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] |
NPO4865 | Piper kadsura | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17296 | Beesia calthifolia | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7697 | Asimina triloba | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13737 | Tephroseris kirilowii | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO2722 | Humulus japonicus | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8543 | Meconopsis horridula | Species | Papaveraceae | 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] |
NPO3630 | Crotalaria crispata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17759 | Rhododendron mucronulatum | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9261 | Ophiopogon japonicus | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO18676 | Clerodendrum trichotomum | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5470 | Cynoglossum amabile | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9927 | Crinum asiaticum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5740 | Phellodendron japonicum | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23429 | Lycium barbarum | 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] |
NPO19769 | Boschniakia rossica | Species | Orobanchaceae | 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] |
NPO1783 | Euonymus fortunei | Species | Celastraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8541 | Oryza sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16501 | Capsicum annuum | Species | Solanaceae | 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] |
NPO26741 | Anemarrhena asphodeloides | Species | Asparagaceae | 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] |
NPO5470 | Cynoglossum amabile | Species | Boraginaceae | 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] |
NPO18765 | Juniperus scopulorum | Species | Cupressaceae | 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] |
NPO23429 | Lycium barbarum | Species | Solanaceae | 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] |
NPO17759 | Rhododendron mucronulatum | Species | Ericaceae | 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] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | 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] |
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] |
NPO23429 | Lycium barbarum | Species | Solanaceae | 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] |
NPO4865 | Piper kadsura | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO8541 | Oryza sativa | Species | Poaceae | 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] |
NPO16501 | Capsicum annuum | Species | Solanaceae | 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] |
NPO24402.1 | Coffea liberica var. dewevrei | Varieties | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1783 | Euonymus fortunei | Species | Celastraceae | 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] |
NPO5740 | Phellodendron japonicum | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15233 | Balanophora japonica | Species | Balanophoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7513 | Cannabis sativa | Species | Cannabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15329 | Rhizoplaca baranowii | Species | Lecanoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4674 | Gaillardia powellii | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23772 | Tetradium glabrifolium | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18424 | Selinum libanotis | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1412 | Artemisia juncea | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19170 | Lasianthaea podocephala | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15802 | Papaver pseudocanescens | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29450 | Streptomyces parvisporogenes | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13737 | Tephroseris kirilowii | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18927 | Clinacanthus nutans | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8543 | Meconopsis horridula | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17083 | Atraphaxis frutescens | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12870 | Curcuma aeruginosa | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14947 | Lathyrus tingitanus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13848 | Amomum daniellii | Species | Zingiberaceae | 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] |
NPO18765 | Juniperus scopulorum | Species | Cupressaceae | 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] |
NPO11164 | Renealmia alpinia | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19436 | Annona cherimola | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15145 | Rauvolfia salicifolia | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16981 | Gutierrezia dracunculoides | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2722 | Humulus japonicus | Species | Cannabaceae | 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] |
NPO13647 | Calcarisporium thermophilum | Species | n.a. | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14233 | Ormosia dasycarpa | Species | Limoniidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9485 | Haplopappus deserticola | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17823 | Lycium chinense | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4679 | Hedysarum gmelini | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19709 | Pseudocyphellaria australiensis | Species | Lobariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17230 | Psidium acutangulum | Species | Myrtaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18602 | Melampodium leucanthum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7395 | Tribulus terrestris | Species | Zygophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23429 | Lycium barbarum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13358 | Piper brachystachyum | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19242 | Eucalyptus albens | Species | Myrtaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12223 | Stellaria media | Species | Caryophyllaceae | 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] |
NPO15127 | Senecio congestus | 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] |
NPO3630 | Crotalaria crispata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11000 | Eupatorium laevigatum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2519 | Tinospora baenzigeri | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19371 | Costasiella ocellifera | Species | Costasiellidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3761 | Plectosphaerella cucumerina | Species | Plectosphaerellaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9927 | Crinum asiaticum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18262 | Aspergillus microcysticus | Species | Aspergillaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17499 | Bursera kerberi | Species | Burseraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18348 | Crotalaria stolzii | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2330 | Alchornea cordifolia | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11473 | Viburnum lantana | Species | Adoxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12914 | Sarcophyton flexuosum | Species | Alcyoniidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16801 | Cota tinctoria | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9261 | Ophiopogon japonicus | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9906 | Zephyranthes flava | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8172 | Emericellopsis minima | Species | n.a. | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18048 | Phlomis crinita | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1109 | Corydalis persica | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29531 | Lupinus cosentinii | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9144 | Atriplex parvifolia | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17114 | Streptomyces melanogenes | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18533 | Delisea elegans | Species | Bonnemaisoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5398 | Peucedanum oroselinum | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17354 | Micromonospora echinospora | Species | Micromonosporaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19083 | Alstonia angustiloba | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10098 | Glycosmis pseudoracemosa | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19769 | Boschniakia rossica | Species | Orobanchaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12170 | Solanum indicum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7521 | Hygrophorus eburneus | Species | Hygrophoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17630 | Helenium integrifolium | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19572 | Pellacalyx axillaris | Species | Rhizophoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17296 | Beesia calthifolia | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13278 | Strychnos spinosa | Species | Loganiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7697 | Asimina triloba | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16135 | Pestalotiopsis oenotherae | Species | Sporocadaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19018 | Senecio provincialis | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO968 | Artemisia pectinata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17759 | Rhododendron mucronulatum | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19776 | Hesperocyparis arizonica | Species | Cupressaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1338 | Arcangelisia gusanlung | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11081 | Baccharis grandicapitulata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5455 | Euploca racemosa | Species | Heliotropiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18676 | Clerodendrum trichotomum | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26741 | Anemarrhena asphodeloides | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25370 | Botrychium ternatum | Species | Ophioglossaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11967 | Delphinium giraldii | Species | Ranunculaceae | 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.