Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO11169 | Piper cubeba | Species | Piperaceae | Eukaryota | TM-MC* | |||
NPO11820 | Amomum villosum | Species | Zingiberaceae | Eukaryota | TCMID* | |||
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO5946 | Caryophylliflos | NA | NA | NA | TCMSP* | |||
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | TCMSP* | |||
NPO28928 | Piper nigrum | Species | Piperaceae | Eukaryota | TM-MC* | |||
NPO28256 | Platycladus orientalis | Species | Cupressaceae | Eukaryota | TCMID* | |||
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO5800 | Radix salviae | Species | Lymnaeidae | Eukaryota | TCMSP* | |||
NPO8187 | Schisandra chinensis | Species | Schisandraceae | Eukaryota | TM-MC* | |||
NPO10579 | Teucrium bidentatum | Species | Lamiaceae | Eukaryota | TCMID* | |||
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO10766 | Alpiniae officinarum rhizome | NA | NA | NA | TCMSP* | |||
NPO12935 | Thymus quinquecostatus | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO28276 | Artemisia argyi | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO29702 | Zingiberis rhizoma | NA | NA | NA | TCMSP* | |||
NPO19472 | Thymus vulgaris | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO9462 | Ligustici rhizoma et radix | NA | NA | NA | TCMSP* | |||
NPO5315 | Zanthoxylum bungeanum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO10492 | Artemisia montana | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO29723 | Solidaginis herba | NA | NA | NA | TCMSP* | |||
NPO9290 | Zanthoxylum piperitum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO25094 | Artemisia princeps | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO29657 | Zanthoxyli pericarpium | NA | NA | NA | TCMSP* | |||
NPO8698 | Zanthoxylum schinifolium | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO22258 | Chrysanthemum indicum | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO8255 | Cinnamomum aromaticum | Species | Lauraceae | Eukaryota | TM-MC* | |||
NPO9454 | Piperis fructus | NA | NA | NA | TCMSP* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO20440 | Chrysanthemum x morifolium | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO27288 | Citrus maxima | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO29650 | Lysimachiae herba | NA | NA | NA | TCMSP* | |||
NPO9247.1 | Bupleurum smithii var. parvifolium | Varieties | Apiaceae | Eukaryota | TCMID* | |||
NPO9546 | Cinamomum cassia | NA | NA | NA | TM-MC* | |||
NPO25443 | Citrus reticulata | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO25951 | Chuanxiong rhizoma | NA | NA | NA | TCMSP* | |||
NPO2715.1 | Murraya paniculata var. exotica | Varieties | Rutaceae | Eukaryota | TCMID* | |||
NPO10082 | Citrus unshiu | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO29651 | Sennae folium | NA | NA | NA | TCMSP* | |||
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | TCMID* | |||
NPO22741 | Curcuma kwangsiensis | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO29555 | Evodiae fructus | NA | NA | NA | TCMSP* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TCMID* | |||
NPO24124 | Curcuma longa | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO8650 | Perilla frutescens | Species | Lamiaceae | Eukaryota | TCMSP* | |||
NPO10494 | Alpinia katsumadai | Species | Staphylinidae | Eukaryota | TCMID* | |||
NPO18068 | Curcuma phaeocaulis | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO29597 | Perillae fructus | NA | NA | NA | TCMSP* | |||
NPO319 | Citrus limon | Species | Rutaceae | Eukaryota | TCMID* | |||
NPO2618 | Curcuma wenyujin | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TCMSP* | |||
NPO3987 | Syzygium aromaticum | Species | Myrtaceae | Eukaryota | TCMID* | |||
NPO21355 | Elsholtzia ciliata | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO13736 | Cnidii fructus | NA | NA | NA | TCMSP* | |||
NPO8367 | Fructus schiandrae | NA | NA | NA | TCMID* | |||
NPO3987 | Syzygium aromaticum | Species | Myrtaceae | Eukaryota | TM-MC* | |||
NPO17399 | Kadsurae coccineae radix et caulis | NA | NA | NA | TCMSP* | |||
NPO7255 | Pterocarpus indicus | Species | Fabaceae | Eukaryota | TCMID* | |||
NPO16845 | Euodia bodinieri | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO28184 | Folium nelumbinis | NA | NA | NA | TCMSP* | |||
NPO2048 | Rhizoma curcumae | NA | NA | NA | TCMID* | |||
NPO4877 | Euodia officinalis | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO17237 | Ephedra herba | Species | Ephedraceae | Eukaryota | TCMSP* | |||
NPO16019.1 | Isodon japonica var. glaucocalyx | Varieties | Lamiaceae | Eukaryota | TCMID* | |||
NPO8314 | Euodia ruticarpa | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO28985 | Radix bupleuri | Species | Lymnaeidae | Eukaryota | TCMSP* | |||
NPO18811 | Magnolia biondii | Species | Magnoliaceae | Eukaryota | TCMID* | |||
NPO19935 | Tetradium ruticarpum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO29671 | Curcumae rhizoma | NA | NA | NA | TCMSP* | |||
NPO10150 | Anemone raddeana | Species | Ranunculaceae | Eukaryota | TCMID* | |||
NPO1436 | Houttuynia cordata | Species | Saururaceae | Eukaryota | TM-MC* | |||
NPO4750 | Meliae azedarach fructus | NA | NA | NA | TCMSP* | |||
NPO8650.1 | Perilla frutescens var. arguta | Varieties | Lamiaceae | Eukaryota | TCMID* | |||
NPO13879 | Humulus lupulus | Species | Cannabaceae | Eukaryota | TM-MC* | |||
NPO7763 | Citri reticulatae folium | NA | NA | NA | TCMSP* | |||
NPO14992 | Prunus persica | Species | Rosaceae | Eukaryota | TCMID* | |||
NPO3676 | Fusarium sambucinum | Species | Nectriaceae | Eukaryota | UNPD* | |||
NPO4391 | Hypericum perforatum | Species | Hypericaceae | Eukaryota | TM-MC* | |||
NPO17960 | Citri fructus retinervus | NA | NA | NA | TCMSP* | |||
NPO11411 | Gossypium herbaceum | Species | Malvaceae | Eukaryota | TCMID* | |||
NPO4578 | Cystoseira fimbriata | Species | Sargassaceae | Eukaryota | UNPD* | |||
NPO13274 | Illicium verum | Species | Schisandraceae | Eukaryota | TM-MC* | |||
NPO29556 | Piperis longi fructus | NA | NA | NA | TCMSP* | |||
NPO23234 | Ageratum conyzoides | Species | Asteraceae | Eukaryota | TCMID* | |||
NPO8 | Buphthalmum salicifolium | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO29110 | Litsea cubeba | Species | Lauraceae | Eukaryota | TM-MC* | |||
NPO13847 | Streptomyces avermitilis | Species | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO10330.7 | Streptomyces coelicolor a3(2) | Subspecies | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TCM_Taiwan* | |||
NPO23256 | Mentha arvensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO26351 | Agastache rugosa | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO11638 | Cinnanmomi cortex | NA | NA | NA | TCMSP* | |||
NPO13857 | Mentha canadensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO1479 | Amomum longiligulare | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO18697 | Et radix patriniae rhizoma | NA | NA | NA | TCMSP* | |||
NPO18046 | Mosla chinensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO11820 | Amomum villosum | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO29581 | Dalbergiae odoriferae lignum | NA | NA | NA | TCMSP* | |||
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | TM-MC* | |||
NPO1631 | Amomum xanthioides | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO6212 | Myrrha | Species | Coccinellidae | Eukaryota | TCMSP* | |||
NPO8650 | Perilla frutescens | Species | Lamiaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 43646.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 13802.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 76958.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 24336.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 61652.4 | nM | PubChem BioAssay data set | ||
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 54482.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 61130.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 4364.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 54947.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 48557.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 68589.6 | nM | PubChem BioAssay data set | ||
NPT162 | Individual Protein | Heat shock protein beta-1 | Homo sapiens | Potency | 48972.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 38900 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 21875.1 | 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 NPC60288 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 |
---|---|---|
0.9643 | High Similarity | NPC138113 |
0.9286 | High Similarity | NPC288991 |
0.9286 | High Similarity | NPC262789 |
0.9286 | High Similarity | NPC64176 |
0.9032 | High Similarity | NPC99088 |
0.9032 | High Similarity | NPC305759 |
0.9032 | High Similarity | NPC173592 |
0.8485 | Intermediate Similarity | NPC282119 |
0.8387 | Intermediate Similarity | NPC66577 |
0.8387 | Intermediate Similarity | NPC206088 |
0.8333 | Intermediate Similarity | NPC115959 |
0.8333 | Intermediate Similarity | NPC123965 |
0.8 | Intermediate Similarity | NPC138325 |
0.8 | Intermediate Similarity | NPC48638 |
0.8 | Intermediate Similarity | NPC45727 |
0.7812 | Intermediate Similarity | NPC3649 |
0.7812 | Intermediate Similarity | NPC100879 |
0.7812 | Intermediate Similarity | NPC471327 |
0.7742 | Intermediate Similarity | NPC34671 |
0.7576 | Intermediate Similarity | NPC213749 |
0.7568 | Intermediate Similarity | NPC183670 |
0.75 | Intermediate Similarity | NPC239039 |
0.75 | Intermediate Similarity | NPC266298 |
0.7368 | Intermediate Similarity | NPC218918 |
0.7368 | Intermediate Similarity | NPC120926 |
0.7368 | Intermediate Similarity | NPC144023 |
0.7273 | Intermediate Similarity | NPC151719 |
0.7179 | Intermediate Similarity | NPC177470 |
0.7143 | Intermediate Similarity | NPC96619 |
0.7059 | Intermediate Similarity | NPC13217 |
0.7 | Intermediate Similarity | NPC88325 |
0.6944 | Remote Similarity | NPC92224 |
0.6829 | Remote Similarity | NPC138935 |
0.6786 | Remote Similarity | NPC178306 |
0.6774 | Remote Similarity | NPC31891 |
0.6774 | Remote Similarity | NPC266539 |
0.6774 | Remote Similarity | NPC287191 |
0.6774 | Remote Similarity | NPC266144 |
0.6765 | Remote Similarity | NPC196831 |
0.6757 | Remote Similarity | NPC201753 |
0.6757 | Remote Similarity | NPC34764 |
0.6757 | Remote Similarity | NPC76145 |
0.6757 | Remote Similarity | NPC185839 |
0.6757 | Remote Similarity | NPC190810 |
0.6667 | Remote Similarity | NPC182392 |
0.6579 | Remote Similarity | NPC180840 |
0.6579 | Remote Similarity | NPC139717 |
0.6579 | Remote Similarity | NPC297643 |
0.6579 | Remote Similarity | NPC229262 |
0.6562 | Remote Similarity | NPC10183 |
0.65 | Remote Similarity | NPC469969 |
0.6486 | Remote Similarity | NPC38497 |
0.6452 | Remote Similarity | NPC38513 |
0.6429 | Remote Similarity | NPC225855 |
0.641 | Remote Similarity | NPC29091 |
0.641 | Remote Similarity | NPC182840 |
0.641 | Remote Similarity | NPC255042 |
0.641 | Remote Similarity | NPC103213 |
0.6389 | Remote Similarity | NPC62779 |
0.6364 | Remote Similarity | NPC179103 |
0.6364 | Remote Similarity | NPC76765 |
0.6341 | Remote Similarity | NPC209279 |
0.6341 | Remote Similarity | NPC68889 |
0.6341 | Remote Similarity | NPC206906 |
0.6341 | Remote Similarity | NPC108494 |
0.6341 | Remote Similarity | NPC180871 |
0.6341 | Remote Similarity | NPC51758 |
0.6341 | Remote Similarity | NPC208936 |
0.6341 | Remote Similarity | NPC88079 |
0.6341 | Remote Similarity | NPC194586 |
0.6341 | Remote Similarity | NPC67761 |
0.625 | Remote Similarity | NPC323278 |
0.625 | Remote Similarity | NPC18205 |
0.625 | Remote Similarity | NPC56917 |
0.625 | Remote Similarity | NPC12319 |
0.6222 | Remote Similarity | NPC17810 |
0.619 | Remote Similarity | NPC216921 |
0.6154 | Remote Similarity | NPC34873 |
0.6154 | Remote Similarity | NPC40434 |
0.6154 | Remote Similarity | NPC155880 |
0.6154 | Remote Similarity | NPC92863 |
0.6136 | Remote Similarity | NPC159420 |
0.6098 | Remote Similarity | NPC188596 |
0.6098 | Remote Similarity | NPC269823 |
0.6071 | Remote Similarity | NPC33192 |
0.6047 | Remote Similarity | NPC473533 |
0.6 | Remote Similarity | NPC217923 |
0.6 | Remote Similarity | NPC101811 |
0.6 | Remote Similarity | NPC15934 |
0.5952 | Remote Similarity | NPC256766 |
0.5952 | Remote Similarity | NPC213538 |
0.5952 | Remote Similarity | NPC473912 |
0.5946 | Remote Similarity | NPC12889 |
0.5909 | Remote Similarity | NPC276825 |
0.5833 | Remote Similarity | NPC208638 |
0.5814 | Remote Similarity | NPC86538 |
0.5814 | Remote Similarity | NPC109813 |
0.5814 | Remote Similarity | NPC116934 |
0.5814 | Remote Similarity | NPC106819 |
0.5814 | Remote Similarity | NPC301972 |
0.5814 | Remote Similarity | NPC60556 |
0.5778 | Remote Similarity | NPC100380 |
0.5778 | Remote Similarity | NPC180575 |
0.5778 | Remote Similarity | NPC323445 |
0.5714 | Remote Similarity | NPC469713 |
0.5714 | Remote Similarity | NPC33489 |
0.5714 | Remote Similarity | NPC476679 |
0.5714 | Remote Similarity | NPC259702 |
0.5714 | Remote Similarity | NPC37644 |
0.5682 | Remote Similarity | NPC12907 |
0.5682 | Remote Similarity | NPC6963 |
0.5682 | Remote Similarity | NPC202189 |
0.5682 | Remote Similarity | NPC477686 |
0.5682 | Remote Similarity | NPC304079 |
0.5682 | Remote Similarity | NPC248411 |
0.5676 | Remote Similarity | NPC266979 |
0.5652 | Remote Similarity | NPC124851 |
0.5625 | Remote Similarity | NPC30433 |
0.561 | Remote Similarity | NPC171978 |
0.561 | Remote Similarity | NPC33761 |
0.561 | Remote Similarity | NPC277382 |
0.56 | Remote Similarity | NPC478120 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC60288 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 |
---|---|---|---|
0.6757 | Remote Similarity | NPD319 | Phase 1 |
0.6667 | Remote Similarity | NPD8834 | Discontinued |
0.641 | Remote Similarity | NPD5783 | Phase 3 |
0.625 | Remote Similarity | NPD1153 | Clinical (unspecified phase) |
0.6222 | Remote Similarity | NPD8262 | Approved |
0.6222 | Remote Similarity | NPD4220 | Pre-registration |
0.5682 | Remote Similarity | NPD9675 | Approved |
0.5682 | Remote Similarity | NPD9674 | Approved |
PubChem CID   | 5281516 |
ChEMBL   | CHEMBL3182226 |
ZINC   |
Molecular Weight:   | 204.19 |
ALogP:   | 4.4725 |
MLogP:   | 3.11 |
XLogP:   | 6.136 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 0 |
# H-Bond Aceptor:   | 0 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 15 |