Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO7317 | Citrus aurantium | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO27288 | Citrus maxima | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO5270 | Citrus natsudaidai | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO19787 | Citrus sinensis | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO7698 | Elettaria cardamomum | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO13879 | Humulus lupulus | Species | Cannabaceae | Eukaryota | TM-MC* | |||
NPO4391 | Hypericum perforatum | Species | Hypericaceae | Eukaryota | TM-MC* | |||
NPO18811 | Magnolia biondii | Species | Magnoliaceae | Eukaryota | TM-MC* | |||
NPO15064 | Magnolia denudata | Species | Magnoliaceae | Eukaryota | TM-MC* | |||
NPO1918 | Magnolia kobus | Species | Magnoliaceae | Eukaryota | TM-MC* | |||
NPO15294 | Magnolia salicifolia | Species | Magnoliaceae | Eukaryota | TM-MC* | |||
NPO25197 | Magnolia sprengeri | Species | Magnoliaceae | Eukaryota | TM-MC* | |||
NPO23256 | Mentha arvensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO13857 | Mentha canadensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO8650 | Perilla frutescens | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO23213 | Bistorta officinalis | Species | Polygonaceae | Eukaryota | TM-MC* | |||
NPO21771 | Citrus trifoliata | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO12935 | Thymus quinquecostatus | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO19472 | Thymus vulgaris | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO5315 | Zanthoxylum bungeanum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO9290 | Zanthoxylum piperitum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO8698 | Zanthoxylum schinifolium | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO29628 | Rubi fructus | NA | NA | NA | TCMSP* | |||
NPO3987 | Syzygium aromaticum | Species | Myrtaceae | Eukaryota | TCMID* | |||
NPO29643 | Mume fructus | NA | NA | NA | TCMSP* | |||
NPO19592 | Michelia alba | Species | Magnoliaceae | Eukaryota | TCMID* | |||
NPO29546 | Eriobotryae folium | NA | NA | NA | TCMSP* | |||
NPO5386 | Citrus x paradisi | Species | Rutaceae | Eukaryota | TCMID* | |||
NPO11045 | Paederia scandens | Species | Rubiaceae | Eukaryota | TCMID* | |||
NPO19649 | Akebia quinata | Species | Lardizabalaceae | Eukaryota | TM-MC* | |||
NPO11170 | Akebia trifoliata | Species | Lardizabalaceae | Eukaryota | TM-MC* | |||
NPO26378 | Bistorta manshuriensis | Species | Polygonaceae | Eukaryota | TM-MC* | |||
NPO22258 | Chrysanthemum indicum | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO20440 | Chrysanthemum x morifolium | Species | Asteraceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2798 | Organism | Colletotrichum camelliae | Colletotrichum camelliae | MIC | > | 2375 | ug/ml | 16719518 |
NPT2798 | Organism | Colletotrichum camelliae | Colletotrichum camelliae | GI | = | 57.4 | % | 16719518 |
NPT2798 | Organism | Colletotrichum camelliae | Colletotrichum camelliae | GI | = | 48.1 | % | 16719518 |
NPT2798 | Organism | Colletotrichum camelliae | Colletotrichum camelliae | GI | = | 44.4 | % | 16719518 |
NPT2798 | Organism | Colletotrichum camelliae | Colletotrichum camelliae | GI | = | 40.7 | % | 16719518 |
NPT2798 | Organism | Colletotrichum camelliae | Colletotrichum camelliae | GI | = | 37 | % | 16719518 |
NPT350 | Organism | Tetranychus urticae | Tetranychus urticae | LC50 | > | 500 | microg/cm3 | 21674753 |
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 NPC41180 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 | NPC152438 |
0.8438 | Intermediate Similarity | NPC472947 |
0.8387 | Intermediate Similarity | NPC250836 |
0.8033 | Intermediate Similarity | NPC469694 |
0.7353 | Intermediate Similarity | NPC16964 |
0.7246 | Intermediate Similarity | NPC129630 |
0.7213 | Intermediate Similarity | NPC227135 |
0.7162 | Intermediate Similarity | NPC476701 |
0.7143 | Intermediate Similarity | NPC306085 |
0.7042 | Intermediate Similarity | NPC143576 |
0.7042 | Intermediate Similarity | NPC476709 |
0.7027 | Intermediate Similarity | NPC137345 |
0.7027 | Intermediate Similarity | NPC181838 |
0.6957 | Remote Similarity | NPC310210 |
0.6933 | Remote Similarity | NPC72755 |
0.6933 | Remote Similarity | NPC476367 |
0.6901 | Remote Similarity | NPC474590 |
0.6892 | Remote Similarity | NPC476703 |
0.6866 | Remote Similarity | NPC31496 |
0.6849 | Remote Similarity | NPC12696 |
0.68 | Remote Similarity | NPC477089 |
0.6786 | Remote Similarity | NPC15162 |
0.6765 | Remote Similarity | NPC473722 |
0.6757 | Remote Similarity | NPC329626 |
0.6757 | Remote Similarity | NPC236228 |
0.6757 | Remote Similarity | NPC256720 |
0.6753 | Remote Similarity | NPC5361 |
0.6714 | Remote Similarity | NPC473294 |
0.6714 | Remote Similarity | NPC471472 |
0.6714 | Remote Similarity | NPC272961 |
0.6712 | Remote Similarity | NPC190859 |
0.6712 | Remote Similarity | NPC471525 |
0.6667 | Remote Similarity | NPC103171 |
0.6667 | Remote Similarity | NPC281590 |
0.6623 | Remote Similarity | NPC76054 |
0.6622 | Remote Similarity | NPC36479 |
0.662 | Remote Similarity | NPC304690 |
0.662 | Remote Similarity | NPC74722 |
0.6582 | Remote Similarity | NPC471340 |
0.6579 | Remote Similarity | NPC3852 |
0.6571 | Remote Similarity | NPC82337 |
0.6567 | Remote Similarity | NPC64971 |
0.6562 | Remote Similarity | NPC24443 |
0.6533 | Remote Similarity | NPC170148 |
0.6533 | Remote Similarity | NPC229655 |
0.6533 | Remote Similarity | NPC293223 |
0.6522 | Remote Similarity | NPC471200 |
0.6515 | Remote Similarity | NPC83838 |
0.6515 | Remote Similarity | NPC143810 |
0.65 | Remote Similarity | NPC474780 |
0.6494 | Remote Similarity | NPC233295 |
0.6494 | Remote Similarity | NPC291260 |
0.6486 | Remote Similarity | NPC474280 |
0.6471 | Remote Similarity | NPC50435 |
0.6463 | Remote Similarity | NPC476948 |
0.6462 | Remote Similarity | NPC52012 |
0.6447 | Remote Similarity | NPC474278 |
0.6447 | Remote Similarity | NPC471454 |
0.6429 | Remote Similarity | NPC267027 |
0.642 | Remote Similarity | NPC47958 |
0.642 | Remote Similarity | NPC470175 |
0.642 | Remote Similarity | NPC329749 |
0.642 | Remote Similarity | NPC149725 |
0.642 | Remote Similarity | NPC304509 |
0.6418 | Remote Similarity | NPC258788 |
0.641 | Remote Similarity | NPC474592 |
0.641 | Remote Similarity | NPC472948 |
0.6393 | Remote Similarity | NPC131623 |
0.6375 | Remote Similarity | NPC250315 |
0.6375 | Remote Similarity | NPC231601 |
0.6364 | Remote Similarity | NPC137587 |
0.6341 | Remote Similarity | NPC476015 |
0.6341 | Remote Similarity | NPC311163 |
0.6341 | Remote Similarity | NPC475019 |
0.6341 | Remote Similarity | NPC474762 |
0.6341 | Remote Similarity | NPC474949 |
0.6338 | Remote Similarity | NPC259299 |
0.6338 | Remote Similarity | NPC193029 |
0.6338 | Remote Similarity | NPC161612 |
0.6338 | Remote Similarity | NPC73603 |
0.6338 | Remote Similarity | NPC473357 |
0.6338 | Remote Similarity | NPC33583 |
0.6329 | Remote Similarity | NPC246621 |
0.6316 | Remote Similarity | NPC46248 |
0.6316 | Remote Similarity | NPC249801 |
0.631 | Remote Similarity | NPC473564 |
0.631 | Remote Similarity | NPC133450 |
0.631 | Remote Similarity | NPC307411 |
0.6301 | Remote Similarity | NPC474078 |
0.6286 | Remote Similarity | NPC86856 |
0.6282 | Remote Similarity | NPC5908 |
0.6282 | Remote Similarity | NPC110373 |
0.6282 | Remote Similarity | NPC80471 |
0.6282 | Remote Similarity | NPC475210 |
0.6269 | Remote Similarity | NPC278202 |
0.6265 | Remote Similarity | NPC186148 |
0.6265 | Remote Similarity | NPC190753 |
0.625 | Remote Similarity | NPC305698 |
0.6235 | Remote Similarity | NPC474761 |
0.6235 | Remote Similarity | NPC51004 |
0.6235 | Remote Similarity | NPC177668 |
0.6235 | Remote Similarity | NPC476004 |
0.6234 | Remote Similarity | NPC476439 |
0.622 | Remote Similarity | NPC298595 |
0.622 | Remote Similarity | NPC34581 |
0.622 | Remote Similarity | NPC471494 |
0.6212 | Remote Similarity | NPC121034 |
0.6212 | Remote Similarity | NPC474577 |
0.6203 | Remote Similarity | NPC186072 |
0.6197 | Remote Similarity | NPC327815 |
0.6197 | Remote Similarity | NPC311736 |
0.619 | Remote Similarity | NPC228415 |
0.619 | Remote Similarity | NPC177629 |
0.619 | Remote Similarity | NPC58219 |
0.619 | Remote Similarity | NPC202672 |
0.619 | Remote Similarity | NPC87189 |
0.6184 | Remote Similarity | NPC217725 |
0.6184 | Remote Similarity | NPC81052 |
0.6176 | Remote Similarity | NPC127824 |
0.6173 | Remote Similarity | NPC106912 |
0.6173 | Remote Similarity | NPC27314 |
0.6173 | Remote Similarity | NPC49208 |
0.6173 | Remote Similarity | NPC263087 |
0.6173 | Remote Similarity | NPC31019 |
0.6173 | Remote Similarity | NPC2379 |
0.6173 | Remote Similarity | NPC477978 |
0.6163 | Remote Similarity | NPC30515 |
0.6163 | Remote Similarity | NPC12172 |
0.6163 | Remote Similarity | NPC184463 |
0.6163 | Remote Similarity | NPC208886 |
0.6154 | Remote Similarity | NPC13823 |
0.6154 | Remote Similarity | NPC264610 |
0.6154 | Remote Similarity | NPC326753 |
0.6154 | Remote Similarity | NPC68119 |
0.6145 | Remote Similarity | NPC255143 |
0.6145 | Remote Similarity | NPC478112 |
0.6145 | Remote Similarity | NPC472379 |
0.6143 | Remote Similarity | NPC300593 |
0.6143 | Remote Similarity | NPC476702 |
0.6136 | Remote Similarity | NPC107476 |
0.6125 | Remote Similarity | NPC471661 |
0.6125 | Remote Similarity | NPC118116 |
0.6125 | Remote Similarity | NPC15978 |
0.6125 | Remote Similarity | NPC77003 |
0.6125 | Remote Similarity | NPC474894 |
0.6118 | Remote Similarity | NPC49783 |
0.6118 | Remote Similarity | NPC474951 |
0.6118 | Remote Similarity | NPC92974 |
0.6118 | Remote Similarity | NPC299527 |
0.6118 | Remote Similarity | NPC173926 |
0.6111 | Remote Similarity | NPC59442 |
0.6111 | Remote Similarity | NPC163290 |
0.6104 | Remote Similarity | NPC126969 |
0.6104 | Remote Similarity | NPC268111 |
0.6104 | Remote Similarity | NPC476606 |
0.6098 | Remote Similarity | NPC475963 |
0.6098 | Remote Similarity | NPC151176 |
0.6098 | Remote Similarity | NPC3464 |
0.6098 | Remote Similarity | NPC186155 |
0.6098 | Remote Similarity | NPC78673 |
0.6098 | Remote Similarity | NPC160517 |
0.6092 | Remote Similarity | NPC476300 |
0.6092 | Remote Similarity | NPC212486 |
0.6092 | Remote Similarity | NPC475912 |
0.6092 | Remote Similarity | NPC81419 |
0.6092 | Remote Similarity | NPC179746 |
0.6081 | Remote Similarity | NPC329904 |
0.6081 | Remote Similarity | NPC473361 |
0.6081 | Remote Similarity | NPC471781 |
0.6076 | Remote Similarity | NPC471537 |
0.6076 | Remote Similarity | NPC86971 |
0.6071 | Remote Similarity | NPC248602 |
0.6071 | Remote Similarity | NPC160138 |
0.6053 | Remote Similarity | NPC477422 |
0.6049 | Remote Similarity | NPC477390 |
0.6049 | Remote Similarity | NPC471408 |
0.6049 | Remote Similarity | NPC259858 |
0.6049 | Remote Similarity | NPC474252 |
0.6049 | Remote Similarity | NPC477385 |
0.6049 | Remote Similarity | NPC474291 |
0.6047 | Remote Similarity | NPC474249 |
0.6047 | Remote Similarity | NPC197107 |
0.6047 | Remote Similarity | NPC206614 |
0.6047 | Remote Similarity | NPC473448 |
0.6047 | Remote Similarity | NPC471569 |
0.6047 | Remote Similarity | NPC261990 |
0.6047 | Remote Similarity | NPC474323 |
0.6029 | Remote Similarity | NPC473866 |
0.6029 | Remote Similarity | NPC475931 |
0.6027 | Remote Similarity | NPC273508 |
0.6027 | Remote Similarity | NPC209327 |
0.6026 | Remote Similarity | NPC475711 |
0.6026 | Remote Similarity | NPC169994 |
0.6026 | Remote Similarity | NPC84360 |
0.6026 | Remote Similarity | NPC40049 |
0.6024 | Remote Similarity | NPC196911 |
0.6024 | Remote Similarity | NPC470658 |
0.6024 | Remote Similarity | NPC471379 |
0.6024 | Remote Similarity | NPC21469 |
0.6024 | Remote Similarity | NPC11804 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC41180 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 |
---|---|---|---|
0.6176 | Remote Similarity | NPD1145 | Discontinued |
0.5882 | Remote Similarity | NPD7524 | Approved |
0.5882 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD7838 | Discovery |
0.5857 | Remote Similarity | NPD368 | Approved |
0.5833 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD9410 | Clinical (unspecified phase) |
0.5694 | Remote Similarity | NPD371 | Approved |
0.5647 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
PubChem CID   | 6432254 |
ChEMBL   | CHEMBL2252947 |
ZINC   |
Molecular Weight:   | 170.13 |
ALogP:   | 0.759 |
MLogP:   | 2.34 |
XLogP:   | 1.559 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 29.46 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 12 |