Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO18046 | Mosla chinensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO28450 | Phyllanthus emblica | Species | Phyllanthaceae | Eukaryota | TM-MC* | |||
NPO8789 | Schizonepeta tenuifolia | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO1880 | Schizonepeta tenuisfolia | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO5681 | Acorus gramineus | Species | Acoraceae | Eukaryota | TCMID* | |||
NPO8789 | Schizonepeta tenuifolia | Species | Lamiaceae | Eukaryota | TCMID* | |||
NPO3791 | Lentinula edodes | Species | Omphalotaceae | Eukaryota | TCMID* | |||
NPO23768 | Camellia saluenensis | Species | Theaceae | Eukaryota | TCMID* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[24421258] |
||
NPO21910 | Folium callicarpae nudiflorae | NA | NA | NA | TCMID* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[21970810] |
||
NPO11411 | Gossypium herbaceum | Species | Malvaceae | Eukaryota | TCMID* | |||
NPO21373 | Vitex trifolia | Species | Lamiaceae | Eukaryota | HerDing* | |||
NPO3392 | Agastache rugosus | Species | Lamiaceae | Eukaryota | TCMID* | |||
NPO23814 | Elsholtzia splendens | Species | Lamiaceae | Eukaryota | HerDing* | |||
NPO23814 | Elsholtzia splendens | Species | Lamiaceae | Eukaryota | TCMID* | |||
NPO26351 | Agastache rugosa | Species | Lamiaceae | Eukaryota | TCM_Taiwan* | |||
NPO21373 | Vitex trifolia | Species | Lamiaceae | Eukaryota | TCMID* | |||
NPO30171 | Lentinus edodes | Species | Lentinaceae | Eukaryota | TCM_Taiwan* | |||
NPO30171 | Lentinus edodes | Species | Lentinaceae | Eukaryota | HerDing* | |||
NPO3392 | Agastache rugosus | Species | Lamiaceae | Eukaryota | HerDing* | |||
NPO8789 | Schizonepeta tenuifolia | Species | Lamiaceae | Eukaryota | TCM_Taiwan* | |||
NPO8789 | Schizonepeta tenuifolia | Species | Lamiaceae | Eukaryota | HerDing* | |||
NPO29414 | Schizonepetae herba | NA | NA | NA | TCMSP* | |||
NPO29640 | Schizonepetae spica | NA | NA | NA | TCMSP* | |||
NPO6232.31 | Streptomyces griseus griseus | Subspecies | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO19649 | Akebia quinata | Species | Lardizabalaceae | Eukaryota | TM-MC* | |||
NPO11170 | Akebia trifoliata | Species | Lardizabalaceae | Eukaryota | TM-MC* | |||
NPO28276 | Artemisia argyi | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO10492 | Artemisia montana | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO25094 | Artemisia princeps | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO21355 | Elsholtzia ciliata | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO25269 | Ganoderma lucidum | Species | Ganodermataceae | Eukaryota | TM-MC* | |||
NPO16609 | Ganoderma sinense | Species | Ganodermataceae | Eukaryota | TM-MC* | |||
NPO23256 | Mentha arvensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO13857 | Mentha canadensis | Species | Lamiaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT563 | Organism | Escherichia coli O157:H7 | Escherichia coli O157:H7 | GI | = | 3.1 | % | 14969531 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | GI | = | 5.2 | % | 14969531 |
NPT564 | Organism | Listeria monocytogenes | Listeria monocytogenes | GI | = | 0 | % | 14969531 |
NPT565 | Organism | Vibrio parahaemolyticus | Vibrio parahaemolyticus | GI | = | 0 | % | 14969531 |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | GI | = | 5.1 | % | 14969531 |
NPT314 | Organism | Bacillus cereus | Bacillus cereus | GI | = | 0 | % | 14969531 |
NPT2 | Others | Unspecified | Potency | 24633.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 61877.3 | nM | PubChem BioAssay data set | ||
NPT163 | Individual Protein | Nuclear factor NF-kappa-B p105 subunit | Homo sapiens | Potency | 35085.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 49.2 | nM | PubChem BioAssay data set |
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 NPC295442 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 |
---|---|---|
0.963 | High Similarity | NPC221192 |
0.963 | High Similarity | NPC153439 |
0.963 | High Similarity | NPC196434 |
0.963 | High Similarity | NPC222997 |
0.963 | High Similarity | NPC4962 |
0.963 | High Similarity | NPC42403 |
0.963 | High Similarity | NPC29561 |
0.963 | High Similarity | NPC79887 |
0.9286 | High Similarity | NPC168982 |
0.9259 | High Similarity | NPC198118 |
0.9259 | High Similarity | NPC38859 |
0.8966 | High Similarity | NPC16578 |
0.8966 | High Similarity | NPC76608 |
0.8966 | High Similarity | NPC268596 |
0.8966 | High Similarity | NPC149101 |
0.8966 | High Similarity | NPC225318 |
0.8846 | High Similarity | NPC66624 |
0.8519 | High Similarity | NPC79591 |
0.8276 | Intermediate Similarity | NPC158107 |
0.7879 | Intermediate Similarity | NPC301919 |
0.7778 | Intermediate Similarity | NPC30338 |
0.7742 | Intermediate Similarity | NPC262505 |
0.7742 | Intermediate Similarity | NPC254713 |
0.7742 | Intermediate Similarity | NPC261991 |
0.7742 | Intermediate Similarity | NPC49151 |
0.7742 | Intermediate Similarity | NPC179831 |
0.7692 | Intermediate Similarity | NPC32603 |
0.75 | Intermediate Similarity | NPC129976 |
0.7429 | Intermediate Similarity | NPC223315 |
0.7419 | Intermediate Similarity | NPC321646 |
0.7407 | Intermediate Similarity | NPC33928 |
0.7308 | Intermediate Similarity | NPC141986 |
0.7273 | Intermediate Similarity | NPC49615 |
0.7222 | Intermediate Similarity | NPC141634 |
0.7037 | Intermediate Similarity | NPC222945 |
0.7027 | Intermediate Similarity | NPC215118 |
0.7027 | Intermediate Similarity | NPC45270 |
0.7027 | Intermediate Similarity | NPC135077 |
0.7027 | Intermediate Similarity | NPC59570 |
0.7 | Intermediate Similarity | NPC100997 |
0.6923 | Remote Similarity | NPC147212 |
0.6786 | Remote Similarity | NPC185768 |
0.6786 | Remote Similarity | NPC254524 |
0.6774 | Remote Similarity | NPC32279 |
0.6667 | Remote Similarity | NPC59581 |
0.6667 | Remote Similarity | NPC69245 |
0.6667 | Remote Similarity | NPC18397 |
0.6667 | Remote Similarity | NPC220061 |
0.6571 | Remote Similarity | NPC156630 |
0.6571 | Remote Similarity | NPC218357 |
0.6538 | Remote Similarity | NPC211453 |
0.65 | Remote Similarity | NPC76051 |
0.65 | Remote Similarity | NPC74845 |
0.6486 | Remote Similarity | NPC201622 |
0.6486 | Remote Similarity | NPC305660 |
0.6486 | Remote Similarity | NPC22903 |
0.6486 | Remote Similarity | NPC54980 |
0.6341 | Remote Similarity | NPC469781 |
0.6333 | Remote Similarity | NPC227197 |
0.6333 | Remote Similarity | NPC307594 |
0.6316 | Remote Similarity | NPC261080 |
0.6316 | Remote Similarity | NPC279026 |
0.6316 | Remote Similarity | NPC301585 |
0.6316 | Remote Similarity | NPC301696 |
0.6316 | Remote Similarity | NPC14227 |
0.6316 | Remote Similarity | NPC31551 |
0.6316 | Remote Similarity | NPC113928 |
0.6316 | Remote Similarity | NPC154186 |
0.6316 | Remote Similarity | NPC219536 |
0.6316 | Remote Similarity | NPC201844 |
0.6286 | Remote Similarity | NPC248190 |
0.625 | Remote Similarity | NPC473674 |
0.6154 | Remote Similarity | NPC250028 |
0.6154 | Remote Similarity | NPC256163 |
0.6154 | Remote Similarity | NPC161097 |
0.6154 | Remote Similarity | NPC12156 |
0.6154 | Remote Similarity | NPC149299 |
0.6154 | Remote Similarity | NPC28598 |
0.6154 | Remote Similarity | NPC40597 |
0.6111 | Remote Similarity | NPC121215 |
0.6098 | Remote Similarity | NPC317128 |
0.6098 | Remote Similarity | NPC171783 |
0.6053 | Remote Similarity | NPC92863 |
0.6053 | Remote Similarity | NPC155880 |
0.6047 | Remote Similarity | NPC285814 |
0.6047 | Remote Similarity | NPC83187 |
0.6047 | Remote Similarity | NPC131981 |
0.6047 | Remote Similarity | NPC173996 |
0.6047 | Remote Similarity | NPC98246 |
0.6047 | Remote Similarity | NPC40249 |
0.6 | Remote Similarity | NPC171736 |
0.6 | Remote Similarity | NPC196924 |
0.6 | Remote Similarity | NPC164646 |
0.6 | Remote Similarity | NPC216630 |
0.6 | Remote Similarity | NPC209970 |
0.6 | Remote Similarity | NPC163746 |
0.6 | Remote Similarity | NPC141914 |
0.6 | Remote Similarity | NPC91093 |
0.6 | Remote Similarity | NPC103286 |
0.6 | Remote Similarity | NPC307783 |
0.6 | Remote Similarity | NPC53541 |
0.6 | Remote Similarity | NPC474361 |
0.6 | Remote Similarity | NPC149184 |
0.5952 | Remote Similarity | NPC287231 |
0.5952 | Remote Similarity | NPC47363 |
0.5946 | Remote Similarity | NPC80396 |
0.5946 | Remote Similarity | NPC154642 |
0.5926 | Remote Similarity | NPC171188 |
0.5909 | Remote Similarity | NPC294440 |
0.5897 | Remote Similarity | NPC118968 |
0.5897 | Remote Similarity | NPC80234 |
0.5897 | Remote Similarity | NPC294085 |
0.5897 | Remote Similarity | NPC214610 |
0.5897 | Remote Similarity | NPC183424 |
0.5897 | Remote Similarity | NPC223249 |
0.5862 | Remote Similarity | NPC83723 |
0.5854 | Remote Similarity | NPC129972 |
0.5854 | Remote Similarity | NPC203531 |
0.5854 | Remote Similarity | NPC236579 |
0.5854 | Remote Similarity | NPC71317 |
0.5854 | Remote Similarity | NPC301528 |
0.5854 | Remote Similarity | NPC67462 |
0.5833 | Remote Similarity | NPC57499 |
0.5814 | Remote Similarity | NPC63182 |
0.5814 | Remote Similarity | NPC52700 |
0.5814 | Remote Similarity | NPC105329 |
0.5814 | Remote Similarity | NPC145045 |
0.5789 | Remote Similarity | NPC109026 |
0.5778 | Remote Similarity | NPC145311 |
0.5778 | Remote Similarity | NPC293343 |
0.5778 | Remote Similarity | NPC247786 |
0.5778 | Remote Similarity | NPC258672 |
0.5769 | Remote Similarity | NPC273385 |
0.5769 | Remote Similarity | NPC64370 |
0.5769 | Remote Similarity | NPC136996 |
0.5769 | Remote Similarity | NPC302327 |
0.5769 | Remote Similarity | NPC82648 |
0.5769 | Remote Similarity | NPC278711 |
0.5769 | Remote Similarity | NPC227986 |
0.575 | Remote Similarity | NPC165533 |
0.575 | Remote Similarity | NPC48930 |
0.5714 | Remote Similarity | NPC19305 |
0.5714 | Remote Similarity | NPC255837 |
0.5682 | Remote Similarity | NPC326957 |
0.5682 | Remote Similarity | NPC4079 |
0.5682 | Remote Similarity | NPC100380 |
0.5682 | Remote Similarity | NPC324004 |
0.5682 | Remote Similarity | NPC236355 |
0.5682 | Remote Similarity | NPC328497 |
0.5682 | Remote Similarity | NPC14917 |
0.5652 | Remote Similarity | NPC474391 |
0.5652 | Remote Similarity | NPC116906 |
0.5641 | Remote Similarity | NPC268826 |
0.5641 | Remote Similarity | NPC73245 |
0.561 | Remote Similarity | NPC325452 |
0.561 | Remote Similarity | NPC248763 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC295442 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 |
---|---|---|---|
0.6486 | Remote Similarity | NPD3206 | Approved |
0.6316 | Remote Similarity | NPD633 | Phase 3 |
0.6316 | Remote Similarity | NPD9448 | Phase 2 |
0.6047 | Remote Similarity | NPD345 | Approved |
0.6047 | Remote Similarity | NPD343 | Approved |
0.6047 | Remote Similarity | NPD344 | Approved |
0.6 | Remote Similarity | NPD2270 | Approved |
0.5952 | Remote Similarity | NPD2699 | Approved |
0.5897 | Remote Similarity | NPD9655 | Approved |
0.5854 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.5676 | Remote Similarity | NPD9447 | Approved |
PubChem CID   | 246728 |
ChEMBL   | CHEMBL2269087 |
ZINC   |
Molecular Weight:   | 128.12 |
ALogP:   | -0.9556 |
MLogP:   | 2.23 |
XLogP:   | 2.398 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 9 |