Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO17755 | Inula helenium | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO23256 | Mentha arvensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO13857 | Mentha canadensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO18046 | Mosla chinensis | 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* | |||
NPO15810 | Zea mays | Species | Poaceae | Eukaryota | TM-MC* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO5386 | Citrus x paradisi | Species | Rutaceae | Eukaryota | TCMID* | |||
NPO15730 | Citrus medica | Species | Rutaceae | Eukaryota | TCM_Taiwan* | |||
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota |
PMID[25518943] |
|||
NPO18681 | Artemisia scoparia | Species | Asteraceae | Eukaryota | TCM_Taiwan* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TCM_Taiwan* | |||
NPO30686 | Citrus hystrix | Species | Rutaceae | Eukaryota | Exocarp |
PMID[20964319] |
||
NPO8187 | Schisandra chinensis | Species | Schisandraceae | Eukaryota | TCM_Taiwan* | |||
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO15315 | Boswellia carterii | Species | Burseraceae | 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* | |||
NPO22741 | Curcuma kwangsiensis | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO24124 | Curcuma longa | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO18068 | Curcuma phaeocaulis | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO2618 | Curcuma wenyujin | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO21355 | Elsholtzia ciliata | Species | Lamiaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT792 | Individual Protein | Arachidonate 15-lipoxygenase | Homo sapiens | Potency | = | 10000 | nM | PubChem BioAssay data set |
NPT350 | Organism | Tetranychus urticae | Tetranychus urticae | LC50 | = | 12.8 | microg/cm3 | 21674753 |
NPT350 | Organism | Tetranychus urticae | Tetranychus urticae | LC50 | = | 17.4 | microg/cm3 | 21674753 |
NPT350 | Organism | Tetranychus urticae | Tetranychus urticae | LC50 | = | 16.5 | microg/cm3 | 21674753 |
NPT350 | Organism | Tetranychus urticae | Tetranychus urticae | LC50 | = | 16.7 | microg/cm3 | 21674753 |
NPT350 | Organism | Tetranychus urticae | Tetranychus urticae | LC50 | = | 16.8 | microg/cm3 | 21674753 |
NPT346 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Homo sapiens | Inhibition | = | 70 | % | 25455494 |
NPT1534 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Rattus norvegicus | EC50 | = | 12200 | nM | 25455494 |
NPT1534 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Rattus norvegicus | IC50 | > | 100000 | nM | 25455494 |
NPT1841 | Individual Protein | Transient receptor potential cation channel subfamily M member 8 | Rattus norvegicus | IC50 | > | 100000 | nM | 25455494 |
NPT472 | Individual Protein | Vanilloid receptor | Homo sapiens | IC50 | > | 100000 | nM | 25455494 |
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 NPC289388 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 |
---|---|---|
0.9787 | High Similarity | NPC244452 |
0.9583 | High Similarity | NPC170167 |
0.8958 | High Similarity | NPC234597 |
0.88 | High Similarity | NPC216407 |
0.84 | Intermediate Similarity | NPC142103 |
0.8148 | Intermediate Similarity | NPC141699 |
0.8148 | Intermediate Similarity | NPC252860 |
0.8 | Intermediate Similarity | NPC165808 |
0.7895 | Intermediate Similarity | NPC19241 |
0.7843 | Intermediate Similarity | NPC207815 |
0.7818 | Intermediate Similarity | NPC96663 |
0.76 | Intermediate Similarity | NPC47946 |
0.76 | Intermediate Similarity | NPC24824 |
0.76 | Intermediate Similarity | NPC165651 |
0.76 | Intermediate Similarity | NPC210560 |
0.76 | Intermediate Similarity | NPC26600 |
0.7547 | Intermediate Similarity | NPC148056 |
0.75 | Intermediate Similarity | NPC34883 |
0.75 | Intermediate Similarity | NPC135698 |
0.75 | Intermediate Similarity | NPC15912 |
0.75 | Intermediate Similarity | NPC469723 |
0.75 | Intermediate Similarity | NPC163345 |
0.7451 | Intermediate Similarity | NPC197467 |
0.7419 | Intermediate Similarity | NPC472266 |
0.7407 | Intermediate Similarity | NPC151919 |
0.7358 | Intermediate Similarity | NPC27264 |
0.7347 | Intermediate Similarity | NPC187922 |
0.7333 | Intermediate Similarity | NPC217940 |
0.7241 | Intermediate Similarity | NPC240206 |
0.7234 | Intermediate Similarity | NPC316546 |
0.7222 | Intermediate Similarity | NPC48162 |
0.7188 | Intermediate Similarity | NPC22301 |
0.7188 | Intermediate Similarity | NPC296522 |
0.7188 | Intermediate Similarity | NPC329656 |
0.7188 | Intermediate Similarity | NPC101622 |
0.7188 | Intermediate Similarity | NPC144511 |
0.7188 | Intermediate Similarity | NPC269841 |
0.7115 | Intermediate Similarity | NPC195246 |
0.7115 | Intermediate Similarity | NPC22098 |
0.7115 | Intermediate Similarity | NPC276009 |
0.7097 | Intermediate Similarity | NPC220766 |
0.7077 | Intermediate Similarity | NPC472955 |
0.7077 | Intermediate Similarity | NPC4299 |
0.7077 | Intermediate Similarity | NPC475310 |
0.7049 | Intermediate Similarity | NPC474658 |
0.7037 | Intermediate Similarity | NPC236338 |
0.7031 | Intermediate Similarity | NPC276290 |
0.7018 | Intermediate Similarity | NPC67367 |
0.7018 | Intermediate Similarity | NPC46151 |
0.7018 | Intermediate Similarity | NPC477984 |
0.7018 | Intermediate Similarity | NPC200845 |
0.7018 | Intermediate Similarity | NPC223604 |
0.7018 | Intermediate Similarity | NPC223677 |
0.7018 | Intermediate Similarity | NPC28779 |
0.7018 | Intermediate Similarity | NPC128061 |
0.7018 | Intermediate Similarity | NPC10316 |
0.6984 | Remote Similarity | NPC191233 |
0.697 | Remote Similarity | NPC129665 |
0.697 | Remote Similarity | NPC472254 |
0.697 | Remote Similarity | NPC477087 |
0.697 | Remote Similarity | NPC163003 |
0.697 | Remote Similarity | NPC477086 |
0.697 | Remote Similarity | NPC477084 |
0.6964 | Remote Similarity | NPC71761 |
0.6939 | Remote Similarity | NPC123357 |
0.6935 | Remote Similarity | NPC329698 |
0.6923 | Remote Similarity | NPC199557 |
0.6923 | Remote Similarity | NPC232812 |
0.6923 | Remote Similarity | NPC270706 |
0.6875 | Remote Similarity | NPC473357 |
0.6875 | Remote Similarity | NPC226511 |
0.6875 | Remote Similarity | NPC194871 |
0.6875 | Remote Similarity | NPC193029 |
0.6866 | Remote Similarity | NPC470237 |
0.6866 | Remote Similarity | NPC477085 |
0.6866 | Remote Similarity | NPC269206 |
0.6866 | Remote Similarity | NPC295633 |
0.6866 | Remote Similarity | NPC58956 |
0.6866 | Remote Similarity | NPC135703 |
0.6863 | Remote Similarity | NPC106819 |
0.6852 | Remote Similarity | NPC91765 |
0.6842 | Remote Similarity | NPC137538 |
0.6825 | Remote Similarity | NPC470688 |
0.6818 | Remote Similarity | NPC469660 |
0.6818 | Remote Similarity | NPC64234 |
0.6818 | Remote Similarity | NPC472017 |
0.6818 | Remote Similarity | NPC37929 |
0.6792 | Remote Similarity | NPC128280 |
0.6774 | Remote Similarity | NPC155849 |
0.6769 | Remote Similarity | NPC470256 |
0.6769 | Remote Similarity | NPC310210 |
0.6765 | Remote Similarity | NPC294434 |
0.6765 | Remote Similarity | NPC474758 |
0.6765 | Remote Similarity | NPC140287 |
0.6765 | Remote Similarity | NPC117746 |
0.6765 | Remote Similarity | NPC259599 |
0.6765 | Remote Similarity | NPC15499 |
0.6765 | Remote Similarity | NPC474551 |
0.6765 | Remote Similarity | NPC476355 |
0.6765 | Remote Similarity | NPC472966 |
0.6731 | Remote Similarity | NPC12907 |
0.6731 | Remote Similarity | NPC312547 |
0.6724 | Remote Similarity | NPC52264 |
0.6719 | Remote Similarity | NPC304665 |
0.6719 | Remote Similarity | NPC126899 |
0.6719 | Remote Similarity | NPC315115 |
0.6719 | Remote Similarity | NPC154728 |
0.6719 | Remote Similarity | NPC477982 |
0.6667 | Remote Similarity | NPC473603 |
0.6667 | Remote Similarity | NPC139545 |
0.6667 | Remote Similarity | NPC226066 |
0.6667 | Remote Similarity | NPC234767 |
0.6667 | Remote Similarity | NPC476059 |
0.6667 | Remote Similarity | NPC165755 |
0.6667 | Remote Similarity | NPC265574 |
0.6667 | Remote Similarity | NPC39633 |
0.6667 | Remote Similarity | NPC151481 |
0.6667 | Remote Similarity | NPC329852 |
0.6667 | Remote Similarity | NPC324762 |
0.6667 | Remote Similarity | NPC475861 |
0.6667 | Remote Similarity | NPC57923 |
0.6667 | Remote Similarity | NPC469373 |
0.6667 | Remote Similarity | NPC14608 |
0.6667 | Remote Similarity | NPC155587 |
0.6667 | Remote Similarity | NPC309606 |
0.6667 | Remote Similarity | NPC93213 |
0.6667 | Remote Similarity | NPC193351 |
0.6667 | Remote Similarity | NPC107130 |
0.6667 | Remote Similarity | NPC470693 |
0.6667 | Remote Similarity | NPC138408 |
0.6667 | Remote Similarity | NPC226669 |
0.6667 | Remote Similarity | NPC113639 |
0.6667 | Remote Similarity | NPC329819 |
0.6618 | Remote Similarity | NPC472018 |
0.6618 | Remote Similarity | NPC238425 |
0.6618 | Remote Similarity | NPC474543 |
0.6615 | Remote Similarity | NPC472875 |
0.6613 | Remote Similarity | NPC55376 |
0.6613 | Remote Similarity | NPC294304 |
0.6613 | Remote Similarity | NPC228574 |
0.661 | Remote Similarity | NPC327388 |
0.661 | Remote Similarity | NPC473936 |
0.6596 | Remote Similarity | NPC155872 |
0.6571 | Remote Similarity | NPC471726 |
0.6571 | Remote Similarity | NPC123360 |
0.6571 | Remote Similarity | NPC472959 |
0.6571 | Remote Similarity | NPC266159 |
0.6571 | Remote Similarity | NPC61863 |
0.6571 | Remote Similarity | NPC469880 |
0.6571 | Remote Similarity | NPC12740 |
0.6571 | Remote Similarity | NPC301525 |
0.6571 | Remote Similarity | NPC476317 |
0.6571 | Remote Similarity | NPC110461 |
0.6571 | Remote Similarity | NPC472967 |
0.6571 | Remote Similarity | NPC235906 |
0.6571 | Remote Similarity | NPC474527 |
0.6567 | Remote Similarity | NPC473361 |
0.6567 | Remote Similarity | NPC318766 |
0.6567 | Remote Similarity | NPC69462 |
0.6567 | Remote Similarity | NPC329904 |
0.6567 | Remote Similarity | NPC316029 |
0.6567 | Remote Similarity | NPC67183 |
0.6557 | Remote Similarity | NPC474267 |
0.6557 | Remote Similarity | NPC83838 |
0.6557 | Remote Similarity | NPC159650 |
0.6557 | Remote Similarity | NPC143810 |
0.6557 | Remote Similarity | NPC22897 |
0.6557 | Remote Similarity | NPC286189 |
0.6545 | Remote Similarity | NPC62755 |
0.6545 | Remote Similarity | NPC5413 |
0.6545 | Remote Similarity | NPC149821 |
0.6522 | Remote Similarity | NPC470686 |
0.6522 | Remote Similarity | NPC160540 |
0.6515 | Remote Similarity | NPC313444 |
0.6515 | Remote Similarity | NPC273508 |
0.6515 | Remote Similarity | NPC209327 |
0.6508 | Remote Similarity | NPC322457 |
0.65 | Remote Similarity | NPC323498 |
0.65 | Remote Similarity | NPC211752 |
0.65 | Remote Similarity | NPC323597 |
0.6491 | Remote Similarity | NPC294358 |
0.6491 | Remote Similarity | NPC40417 |
0.6491 | Remote Similarity | NPC106531 |
0.6481 | Remote Similarity | NPC262558 |
0.6481 | Remote Similarity | NPC8610 |
0.6479 | Remote Similarity | NPC7563 |
0.6479 | Remote Similarity | NPC283619 |
0.6479 | Remote Similarity | NPC315394 |
0.6479 | Remote Similarity | NPC474760 |
0.6479 | Remote Similarity | NPC65603 |
0.6479 | Remote Similarity | NPC171204 |
0.6479 | Remote Similarity | NPC476028 |
0.6479 | Remote Similarity | NPC41780 |
0.6479 | Remote Similarity | NPC186109 |
0.6479 | Remote Similarity | NPC470240 |
0.6479 | Remote Similarity | NPC97516 |
0.6479 | Remote Similarity | NPC476439 |
0.6479 | Remote Similarity | NPC476794 |
0.6479 | Remote Similarity | NPC57744 |
0.6479 | Remote Similarity | NPC40049 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC289388 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 |
---|---|---|---|
0.7377 | Intermediate Similarity | NPD2685 | Clinical (unspecified phase) |
0.7308 | Intermediate Similarity | NPD5343 | Approved |
0.7222 | Intermediate Similarity | NPD6927 | Phase 3 |
0.7059 | Intermediate Similarity | NPD6096 | Approved |
0.7059 | Intermediate Similarity | NPD6097 | Approved |
0.6923 | Remote Similarity | NPD3174 | Discontinued |
0.6667 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.6545 | Remote Similarity | NPD3173 | Approved |
0.6441 | Remote Similarity | NPD342 | Phase 1 |
0.6429 | Remote Similarity | NPD8039 | Approved |
0.6316 | Remote Similarity | NPD28 | Approved |
0.6316 | Remote Similarity | NPD29 | Approved |
0.6296 | Remote Similarity | NPD4222 | Approved |
0.6296 | Remote Similarity | NPD39 | Approved |
0.6129 | Remote Similarity | NPD6109 | Phase 1 |
0.6102 | Remote Similarity | NPD3172 | Approved |
0.6094 | Remote Similarity | NPD368 | Approved |
0.6053 | Remote Similarity | NPD5209 | Approved |
0.6053 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD3194 | Approved |
0.6 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD4265 | Approved |
0.6 | Remote Similarity | NPD3196 | Approved |
0.6 | Remote Similarity | NPD319 | Phase 1 |
0.6 | Remote Similarity | NPD3195 | Phase 2 |
0.6 | Remote Similarity | NPD4266 | Approved |
0.5974 | Remote Similarity | NPD7154 | Phase 3 |
0.5965 | Remote Similarity | NPD9410 | Clinical (unspecified phase) |
0.5965 | Remote Similarity | NPD4220 | Pre-registration |
0.5938 | Remote Similarity | NPD1145 | Discontinued |
0.5938 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD5326 | Phase 3 |
0.5846 | Remote Similarity | NPD4191 | Approved |
0.5846 | Remote Similarity | NPD4194 | Approved |
0.5846 | Remote Similarity | NPD4193 | Approved |
0.5846 | Remote Similarity | NPD4192 | Approved |
0.5844 | Remote Similarity | NPD6435 | Approved |
0.5823 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.5823 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5769 | Remote Similarity | NPD5783 | Phase 3 |
0.5769 | Remote Similarity | NPD5362 | Discontinued |
0.575 | Remote Similarity | NPD6684 | Approved |
0.575 | Remote Similarity | NPD6409 | Approved |
0.575 | Remote Similarity | NPD7521 | Approved |
0.575 | Remote Similarity | NPD6422 | Discontinued |
0.575 | Remote Similarity | NPD7146 | Approved |
0.575 | Remote Similarity | NPD5330 | Approved |
0.575 | Remote Similarity | NPD7334 | Approved |
0.5733 | Remote Similarity | NPD4268 | Approved |
0.5733 | Remote Similarity | NPD4271 | Approved |
0.5733 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD5369 | Approved |
0.5686 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.5672 | Remote Similarity | NPD3197 | Phase 1 |
0.5625 | Remote Similarity | NPD1694 | Approved |
0.561 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.561 | Remote Similarity | NPD6672 | Approved |
0.561 | Remote Similarity | NPD6903 | Approved |
0.561 | Remote Similarity | NPD5737 | Approved |
0.56 | Remote Similarity | NPD9447 | Approved |
PubChem CID   | 9017 |
ChEMBL   | CHEMBL1453648 |
ZINC   |
Molecular Weight:   | 198.16 |
ALogP:   | 1.8432 |
MLogP:   | 2.56 |
XLogP:   | 4.026 |
# Rotatable Bonds:   | 11 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 14 |