Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO8455 | Magnolia officinalis rehd et wils | Species | Magnoliaceae | Eukaryota | TCMSP* | |||
NPO18195 | Maydis seigma | NA | NA | NA | TCMSP* | |||
NPO29653 | Hippophae fructus | Species | Elaeagnaceae | Eukaryota | TCMSP* | |||
NPO29629 | Viticis negundo folium | Species | Curculionidae | Eukaryota | TCMSP* | |||
NPO29685 | Eucommiae folium | NA | NA | NA | TCMSP* | |||
NPO4750 | Meliae azedarach fructus | NA | NA | NA | TCMSP* | |||
NPO29694 | Mori cortex | NA | NA | NA | TCMSP* | |||
NPO25682 | Acorus calamus | Species | Acoraceae | Eukaryota | TM-MC* | |||
NPO8255 | Cinnamomum aromaticum | Species | Lauraceae | Eukaryota | TM-MC* | |||
NPO7317 | Citrus aurantium | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO15730 | Citrus medica | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO25443 | Citrus reticulata | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO10082 | Citrus unshiu | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO21355 | Elsholtzia ciliata | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO1436 | Houttuynia cordata | Species | Saururaceae | Eukaryota | TM-MC* | |||
NPO18046 | Mosla chinensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | TM-MC* | |||
NPO420 | Eucheuma muricatum | Species | Solieriaceae | Eukaryota | TCMID* | |||
NPO2549 | Ramulus cinnamomi preparata | Species | Phasmatidae | Eukaryota | TCMID* | |||
NPO3608 | Eleutherococcus giraldii | Species | Araliaceae | Eukaryota | TCMID* | |||
NPO1436 | Houttuynia cordata | Species | Saururaceae | Eukaryota | TCM_Taiwan* | |||
NPO10021 | Nerium oleander | Species | Apocynaceae | Eukaryota | TCMID* | |||
NPO15730 | Citrus medica | Species | Rutaceae | Eukaryota | TCM_Taiwan* | |||
NPO8255 | Cinnamomum aromaticum | Species | Lauraceae | Eukaryota | TCMID* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[24421258] |
||
NPO20440 | Chrysanthemum x morifolium | Species | Asteraceae | Eukaryota | TCMID* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[21970810] |
||
NPO13989 | Uncaria macrophylla | Species | Rubiaceae | Eukaryota | TCMID* | |||
NPO2345 | Coriandrum sativum | Species | Apiaceae | Eukaryota |
PMID[25340465] |
|||
NPO30553 | Ramulus cinnamomi | Species | Phasmatidae | Eukaryota | HerDing* | |||
NPO30675 | Vibrio harveyi | Species | Vibrionaceae | Bacteria |
PMID[311472] |
|||
NPO30745 | Chrysanthemum morifolium | Species | Asteraceae | Eukaryota | HerDing* | |||
NPO31458 | Cinnamomum cassia | Species | Lauraceae | Eukaryota | HerDing* | |||
NPO1771 | Rose rugosae flos | NA | NA | NA | TCMSP* | |||
NPO29545 | Capsici fructus | NA | NA | NA | TCMSP* | |||
NPO12208 | Allii fistulost bulbus | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 2689 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 2396.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 1696.7 | 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 NPC254713 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 | NPC179831 |
1.0 | High Similarity | NPC262505 |
1.0 | High Similarity | NPC261991 |
1.0 | High Similarity | NPC49151 |
0.9355 | High Similarity | NPC49615 |
0.8966 | High Similarity | NPC32279 |
0.8788 | High Similarity | NPC301919 |
0.8529 | High Similarity | NPC69245 |
0.8276 | Intermediate Similarity | NPC59581 |
0.8065 | Intermediate Similarity | NPC4962 |
0.8065 | Intermediate Similarity | NPC221192 |
0.8065 | Intermediate Similarity | NPC222997 |
0.8065 | Intermediate Similarity | NPC42403 |
0.8065 | Intermediate Similarity | NPC29561 |
0.8065 | Intermediate Similarity | NPC153439 |
0.8065 | Intermediate Similarity | NPC196434 |
0.8065 | Intermediate Similarity | NPC79887 |
0.7941 | Intermediate Similarity | NPC218357 |
0.7812 | Intermediate Similarity | NPC168982 |
0.7742 | Intermediate Similarity | NPC38859 |
0.7742 | Intermediate Similarity | NPC295442 |
0.7742 | Intermediate Similarity | NPC198118 |
0.7586 | Intermediate Similarity | NPC164646 |
0.7576 | Intermediate Similarity | NPC76608 |
0.7576 | Intermediate Similarity | NPC16578 |
0.7576 | Intermediate Similarity | NPC268596 |
0.7576 | Intermediate Similarity | NPC225318 |
0.7576 | Intermediate Similarity | NPC149101 |
0.7368 | Intermediate Similarity | NPC48930 |
0.697 | Remote Similarity | NPC158107 |
0.6923 | Remote Similarity | NPC149299 |
0.6923 | Remote Similarity | NPC250028 |
0.6923 | Remote Similarity | NPC40597 |
0.6923 | Remote Similarity | NPC256163 |
0.6905 | Remote Similarity | NPC239754 |
0.6897 | Remote Similarity | NPC37479 |
0.6842 | Remote Similarity | NPC305660 |
0.6842 | Remote Similarity | NPC201622 |
0.6842 | Remote Similarity | NPC22903 |
0.6842 | Remote Similarity | NPC54980 |
0.6774 | Remote Similarity | NPC66624 |
0.675 | Remote Similarity | NPC53541 |
0.6744 | Remote Similarity | NPC44363 |
0.6744 | Remote Similarity | NPC110234 |
0.6744 | Remote Similarity | NPC163751 |
0.6667 | Remote Similarity | NPC80234 |
0.6667 | Remote Similarity | NPC219536 |
0.6667 | Remote Similarity | NPC223249 |
0.6667 | Remote Similarity | NPC31551 |
0.6667 | Remote Similarity | NPC287782 |
0.6591 | Remote Similarity | NPC13105 |
0.6585 | Remote Similarity | NPC236579 |
0.6585 | Remote Similarity | NPC203531 |
0.6562 | Remote Similarity | NPC79591 |
0.65 | Remote Similarity | NPC28598 |
0.65 | Remote Similarity | NPC165533 |
0.65 | Remote Similarity | NPC161097 |
0.6486 | Remote Similarity | NPC156630 |
0.6429 | Remote Similarity | NPC76051 |
0.641 | Remote Similarity | NPC223315 |
0.6316 | Remote Similarity | NPC80396 |
0.6316 | Remote Similarity | NPC154642 |
0.6279 | Remote Similarity | NPC47363 |
0.6279 | Remote Similarity | NPC287231 |
0.6279 | Remote Similarity | NPC469781 |
0.625 | Remote Similarity | NPC301696 |
0.625 | Remote Similarity | NPC14227 |
0.625 | Remote Similarity | NPC141634 |
0.625 | Remote Similarity | NPC289974 |
0.625 | Remote Similarity | NPC301585 |
0.625 | Remote Similarity | NPC201844 |
0.625 | Remote Similarity | NPC113928 |
0.625 | Remote Similarity | NPC304927 |
0.625 | Remote Similarity | NPC261080 |
0.625 | Remote Similarity | NPC154186 |
0.625 | Remote Similarity | NPC279026 |
0.617 | Remote Similarity | NPC234829 |
0.6136 | Remote Similarity | NPC63182 |
0.6136 | Remote Similarity | NPC12438 |
0.6136 | Remote Similarity | NPC145045 |
0.6136 | Remote Similarity | NPC30195 |
0.6136 | Remote Similarity | NPC52700 |
0.6136 | Remote Similarity | NPC105329 |
0.6129 | Remote Similarity | NPC133819 |
0.6098 | Remote Similarity | NPC135077 |
0.6098 | Remote Similarity | NPC59570 |
0.6098 | Remote Similarity | NPC12156 |
0.6098 | Remote Similarity | NPC215118 |
0.6098 | Remote Similarity | NPC45270 |
0.6042 | Remote Similarity | NPC22182 |
0.6 | Remote Similarity | NPC328497 |
0.6 | Remote Similarity | NPC324004 |
0.6 | Remote Similarity | NPC326957 |
0.5952 | Remote Similarity | NPC307783 |
0.5952 | Remote Similarity | NPC171736 |
0.5952 | Remote Similarity | NPC209970 |
0.5952 | Remote Similarity | NPC141914 |
0.5952 | Remote Similarity | NPC216630 |
0.5952 | Remote Similarity | NPC196924 |
0.5952 | Remote Similarity | NPC149184 |
0.5946 | Remote Similarity | NPC286695 |
0.5938 | Remote Similarity | NPC30338 |
0.5909 | Remote Similarity | NPC273545 |
0.5897 | Remote Similarity | NPC80641 |
0.587 | Remote Similarity | NPC200618 |
0.587 | Remote Similarity | NPC131770 |
0.587 | Remote Similarity | NPC106872 |
0.5862 | Remote Similarity | NPC1502 |
0.5854 | Remote Similarity | NPC81263 |
0.5854 | Remote Similarity | NPC214610 |
0.5854 | Remote Similarity | NPC183424 |
0.5854 | Remote Similarity | NPC118968 |
0.5854 | Remote Similarity | NPC294085 |
0.5833 | Remote Similarity | NPC321646 |
0.5814 | Remote Similarity | NPC67462 |
0.5814 | Remote Similarity | NPC18397 |
0.5806 | Remote Similarity | NPC32603 |
0.58 | Remote Similarity | NPC250539 |
0.5789 | Remote Similarity | NPC57499 |
0.5789 | Remote Similarity | NPC154396 |
0.5758 | Remote Similarity | NPC129976 |
0.5745 | Remote Similarity | NPC26253 |
0.5745 | Remote Similarity | NPC304162 |
0.5714 | Remote Similarity | NPC223195 |
0.5682 | Remote Similarity | NPC255837 |
0.5682 | Remote Similarity | NPC317128 |
0.5682 | Remote Similarity | NPC74845 |
0.5682 | Remote Similarity | NPC19305 |
0.5676 | Remote Similarity | NPC12904 |
0.5652 | Remote Similarity | NPC195246 |
0.5652 | Remote Similarity | NPC276009 |
0.5652 | Remote Similarity | NPC22098 |
0.5641 | Remote Similarity | NPC196442 |
0.5641 | Remote Similarity | NPC301398 |
0.5641 | Remote Similarity | NPC86545 |
0.5641 | Remote Similarity | NPC223374 |
0.5625 | Remote Similarity | NPC33928 |
0.5625 | Remote Similarity | NPC90904 |
0.5625 | Remote Similarity | NPC305182 |
0.5625 | Remote Similarity | NPC55678 |
0.561 | Remote Similarity | NPC268826 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC254713 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 |
---|---|---|---|
0.641 | Remote Similarity | NPD3206 | Approved |
0.6279 | Remote Similarity | NPD2699 | Approved |
0.625 | Remote Similarity | NPD633 | Phase 3 |
0.625 | Remote Similarity | NPD9448 | Phase 2 |
0.5952 | Remote Similarity | NPD2270 | Approved |
0.5854 | Remote Similarity | NPD9655 | Approved |
0.5814 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
PubChem CID   | 31291 |
ChEMBL   | CHEMBL2228569 |
ZINC   |
Molecular Weight:   | 212.21 |
ALogP:   | -3.2743 |
MLogP:   | 2.89 |
XLogP:   | 6.846 |
# Rotatable Bonds:   | 13 |
Polar Surface Area:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 15 |