Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO20357 | Millettiae speciosae radix | NA | NA | NA | TCMSP* | |||
NPO26293 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | TM-MC* | |||
NPO26650 | Terminalia chebula | Species | Combretaceae | Eukaryota | TM-MC* | |||
NPO15544 | Cnidium monnieri | Species | Apiaceae | Eukaryota | TCMID* | |||
NPO5937 | Garrya laurifolia | Species | Garryaceae | Eukaryota | UNPD* | |||
NPO681 | Mesua ferrea | Species | Calophyllaceae | Eukaryota | UNPD* | |||
NPO5021 | Podospora curvicolla | Species | Lasiosphaeriaceae | Eukaryota | UNPD* | |||
NPO823 | Senecio cathcartensis | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO1585 | Onobrychis bobrovii | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO3905 | Medinilla magnifica | Species | Melastomataceae | Eukaryota | UNPD* | |||
NPO8339 | Lithothamnion corallioides | Species | Hapalidiaceae | Eukaryota | UNPD* | |||
NPO2703 | Petteria ramentacea | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | Eukaryota | TCM_Taiwan* | |||
NPO29808 | Platycodon grandiflorum | Species | Campanulaceae | Eukaryota | TCM_Taiwan* | |||
NPO7266 | Goupia glabra | Species | Goupiaceae | Eukaryota | UNPD* | |||
NPO2501 | Trifolium strepens | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO4858 | Helipterum gnaphaloides | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO8703 | Monopteryx uaucu | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO6187 | Sequoia sempervirens | Species | Cupressaceae | Eukaryota | UNPD* | |||
NPO495 | Daemonorops draco | Species | Arecaceae | Eukaryota | UNPD* | |||
NPO3302 | Fusarium avenaceum | Species | Nectriaceae | Eukaryota | UNPD* | |||
NPO11021 | Moringa oleifera | Species | Moringaceae | Eukaryota | UNPD* | |||
NPO4221 | Fusarium sacchari | Species | Nectriaceae | Eukaryota | UNPD* | |||
NPO4410 | Laggera alata | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO7963 | Excoecaria acerifolia | Species | Euphorbiaceae | Eukaryota | UNPD* | |||
NPO5536 | Papaver persicum | Species | Papaveraceae | Eukaryota | UNPD* | |||
NPO26003 | Adenophprae ae radix | NA | NA | NA | TCMSP* | |||
NPO16497 | Trichosanthes kirilowii maxim | Species | Cucurbitaceae | Eukaryota | TCMSP* | |||
NPO12328 | Ampelopsis japonica | Species | Vitaceae | Eukaryota | TCMSP* | |||
NPO8955 | Gentiana macrophylla pall | Species | Gentianaceae | Eukaryota | TCMSP* | |||
NPO29700 | Peucedani radix | NA | NA | NA | TCMSP* | |||
NPO12536 | Flemingia prostrata roxb | Species | Fabaceae | Eukaryota | TCMSP* | |||
NPO29635 | Eucommiae cortex | NA | NA | NA | TCMSP* | |||
NPO29593 | Prunellae spica | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT4778 | Organism | Streptococcus mutans UA159 | Streptococcus mutans UA159 | Activity | = | 12.65 | nM | 10.1007/s00044-011-9658-5 |
NPT4781 | Individual Protein | Glucosyltransferase-SI | Streptococcus mutans serotype c (strain ATCC 700610 / UA159) | Inhibition | = | 50 | % | 10.1007/s00044-011-9658-5 |
NPT4778 | Organism | Streptococcus mutans UA159 | Streptococcus mutans UA159 | Inhibition | = | 20.15 | % | 10.1007/s00044-011-9658-5 |
NPT4778 | Organism | Streptococcus mutans UA159 | Streptococcus mutans UA159 | Inhibition | = | 48.42 | % | 10.1007/s00044-011-9658-5 |
NPT4778 | Organism | Streptococcus mutans UA159 | Streptococcus mutans UA159 | Inhibition | = | 50 | % | 10.1007/s00044-011-9658-5 |
NPT4778 | Organism | Streptococcus mutans UA159 | Streptococcus mutans UA159 | Inhibition | = | 61.29 | % | 10.1007/s00044-011-9658-5 |
NPT4778 | Organism | Streptococcus mutans UA159 | Streptococcus mutans UA159 | Inhibition | = | 60 | % | 10.1007/s00044-011-9658-5 |
NPT4778 | Organism | Streptococcus mutans UA159 | Streptococcus mutans UA159 | MIC | = | 80 | ug/ml | 10.1007/s00044-011-9658-5 |
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 NPC307783 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 | NPC149184 |
1.0 | High Similarity | NPC171736 |
1.0 | High Similarity | NPC196924 |
1.0 | High Similarity | NPC209970 |
1.0 | High Similarity | NPC216630 |
0.9744 | High Similarity | NPC67462 |
0.95 | High Similarity | NPC74845 |
0.9474 | High Similarity | NPC113928 |
0.9474 | High Similarity | NPC301585 |
0.9474 | High Similarity | NPC261080 |
0.9474 | High Similarity | NPC201844 |
0.9474 | High Similarity | NPC14227 |
0.9474 | High Similarity | NPC301696 |
0.9474 | High Similarity | NPC154186 |
0.9474 | High Similarity | NPC279026 |
0.9268 | High Similarity | NPC8219 |
0.9048 | High Similarity | NPC30195 |
0.9048 | High Similarity | NPC12438 |
0.9024 | High Similarity | NPC255837 |
0.9024 | High Similarity | NPC19305 |
0.8974 | High Similarity | NPC183424 |
0.8974 | High Similarity | NPC118968 |
0.8974 | High Similarity | NPC214610 |
0.8974 | High Similarity | NPC294085 |
0.8837 | High Similarity | NPC324004 |
0.8837 | High Similarity | NPC328497 |
0.8837 | High Similarity | NPC21844 |
0.878 | High Similarity | NPC301528 |
0.878 | High Similarity | NPC129972 |
0.878 | High Similarity | NPC71317 |
0.875 | High Similarity | NPC28598 |
0.875 | High Similarity | NPC12156 |
0.875 | High Similarity | NPC161097 |
0.8718 | High Similarity | NPC268826 |
0.8684 | High Similarity | NPC155263 |
0.8636 | High Similarity | NPC106872 |
0.8636 | High Similarity | NPC477878 |
0.8636 | High Similarity | NPC324793 |
0.8537 | High Similarity | NPC163746 |
0.8537 | High Similarity | NPC103286 |
0.8421 | Intermediate Similarity | NPC156630 |
0.8372 | Intermediate Similarity | NPC55023 |
0.8333 | Intermediate Similarity | NPC203531 |
0.8333 | Intermediate Similarity | NPC236579 |
0.8261 | Intermediate Similarity | NPC90904 |
0.825 | Intermediate Similarity | NPC305660 |
0.825 | Intermediate Similarity | NPC201622 |
0.825 | Intermediate Similarity | NPC22903 |
0.825 | Intermediate Similarity | NPC54980 |
0.8205 | Intermediate Similarity | NPC134782 |
0.8182 | Intermediate Similarity | NPC314679 |
0.814 | Intermediate Similarity | NPC317128 |
0.8049 | Intermediate Similarity | NPC219536 |
0.8049 | Intermediate Similarity | NPC31551 |
0.8043 | Intermediate Similarity | NPC304162 |
0.8043 | Intermediate Similarity | NPC26253 |
0.7955 | Intermediate Similarity | NPC469781 |
0.7955 | Intermediate Similarity | NPC47363 |
0.7955 | Intermediate Similarity | NPC287231 |
0.7895 | Intermediate Similarity | NPC175342 |
0.7857 | Intermediate Similarity | NPC250028 |
0.7857 | Intermediate Similarity | NPC149299 |
0.7857 | Intermediate Similarity | NPC40597 |
0.7857 | Intermediate Similarity | NPC165533 |
0.7857 | Intermediate Similarity | NPC256163 |
0.7826 | Intermediate Similarity | NPC200618 |
0.7826 | Intermediate Similarity | NPC131770 |
0.7805 | Intermediate Similarity | NPC73245 |
0.7755 | Intermediate Similarity | NPC72722 |
0.7708 | Intermediate Similarity | NPC470410 |
0.7708 | Intermediate Similarity | NPC470412 |
0.7674 | Intermediate Similarity | NPC325452 |
0.7674 | Intermediate Similarity | NPC53541 |
0.7674 | Intermediate Similarity | NPC248763 |
0.7619 | Intermediate Similarity | NPC223249 |
0.7619 | Intermediate Similarity | NPC80234 |
0.76 | Intermediate Similarity | NPC290563 |
0.76 | Intermediate Similarity | NPC281972 |
0.76 | Intermediate Similarity | NPC85813 |
0.76 | Intermediate Similarity | NPC424 |
0.76 | Intermediate Similarity | NPC25417 |
0.76 | Intermediate Similarity | NPC6095 |
0.76 | Intermediate Similarity | NPC23155 |
0.76 | Intermediate Similarity | NPC320588 |
0.76 | Intermediate Similarity | NPC32467 |
0.76 | Intermediate Similarity | NPC154245 |
0.76 | Intermediate Similarity | NPC88966 |
0.76 | Intermediate Similarity | NPC87564 |
0.76 | Intermediate Similarity | NPC469937 |
0.76 | Intermediate Similarity | NPC87394 |
0.76 | Intermediate Similarity | NPC261831 |
0.76 | Intermediate Similarity | NPC53463 |
0.7561 | Intermediate Similarity | NPC158179 |
0.75 | Intermediate Similarity | NPC289686 |
0.7447 | Intermediate Similarity | NPC180534 |
0.7436 | Intermediate Similarity | NPC328710 |
0.7436 | Intermediate Similarity | NPC18224 |
0.74 | Intermediate Similarity | NPC139029 |
0.74 | Intermediate Similarity | NPC294548 |
0.74 | Intermediate Similarity | NPC321062 |
0.74 | Intermediate Similarity | NPC36061 |
0.74 | Intermediate Similarity | NPC70387 |
0.74 | Intermediate Similarity | NPC1813 |
0.7391 | Intermediate Similarity | NPC166287 |
0.7347 | Intermediate Similarity | NPC100096 |
0.7333 | Intermediate Similarity | NPC76051 |
0.7308 | Intermediate Similarity | NPC477201 |
0.7308 | Intermediate Similarity | NPC18951 |
0.7209 | Intermediate Similarity | NPC3531 |
0.72 | Intermediate Similarity | NPC92114 |
0.72 | Intermediate Similarity | NPC18357 |
0.72 | Intermediate Similarity | NPC281245 |
0.7143 | Intermediate Similarity | NPC252843 |
0.7143 | Intermediate Similarity | NPC109026 |
0.7143 | Intermediate Similarity | NPC55678 |
0.7143 | Intermediate Similarity | NPC50457 |
0.7143 | Intermediate Similarity | NPC128996 |
0.7105 | Intermediate Similarity | NPC174368 |
0.7073 | Intermediate Similarity | NPC317203 |
0.7021 | Intermediate Similarity | NPC145045 |
0.7021 | Intermediate Similarity | NPC63182 |
0.7021 | Intermediate Similarity | NPC52700 |
0.7021 | Intermediate Similarity | NPC105329 |
0.7 | Intermediate Similarity | NPC287811 |
0.7 | Intermediate Similarity | NPC262968 |
0.6981 | Remote Similarity | NPC187777 |
0.6981 | Remote Similarity | NPC179764 |
0.6977 | Remote Similarity | NPC326532 |
0.6909 | Remote Similarity | NPC106851 |
0.6909 | Remote Similarity | NPC470363 |
0.6909 | Remote Similarity | NPC274927 |
0.6909 | Remote Similarity | NPC469924 |
0.6905 | Remote Similarity | NPC80396 |
0.6905 | Remote Similarity | NPC80641 |
0.6905 | Remote Similarity | NPC154642 |
0.6875 | Remote Similarity | NPC249754 |
0.6875 | Remote Similarity | NPC326957 |
0.6863 | Remote Similarity | NPC310746 |
0.6852 | Remote Similarity | NPC225929 |
0.6829 | Remote Similarity | NPC57499 |
0.6809 | Remote Similarity | NPC273545 |
0.68 | Remote Similarity | NPC59051 |
0.68 | Remote Similarity | NPC224227 |
0.6792 | Remote Similarity | NPC473863 |
0.6792 | Remote Similarity | NPC54766 |
0.6792 | Remote Similarity | NPC274290 |
0.6786 | Remote Similarity | NPC243532 |
0.675 | Remote Similarity | NPC149101 |
0.675 | Remote Similarity | NPC76608 |
0.675 | Remote Similarity | NPC225318 |
0.675 | Remote Similarity | NPC16578 |
0.6744 | Remote Similarity | NPC74352 |
0.6735 | Remote Similarity | NPC216130 |
0.6731 | Remote Similarity | NPC139545 |
0.6731 | Remote Similarity | NPC39633 |
0.6731 | Remote Similarity | NPC309606 |
0.6667 | Remote Similarity | NPC223374 |
0.6667 | Remote Similarity | NPC301398 |
0.6667 | Remote Similarity | NPC308301 |
0.6667 | Remote Similarity | NPC86545 |
0.6667 | Remote Similarity | NPC196442 |
0.6667 | Remote Similarity | NPC201939 |
0.6667 | Remote Similarity | NPC469923 |
0.66 | Remote Similarity | NPC476469 |
0.66 | Remote Similarity | NPC149821 |
0.66 | Remote Similarity | NPC5413 |
0.6585 | Remote Similarity | NPC12231 |
0.6585 | Remote Similarity | NPC152759 |
0.6585 | Remote Similarity | NPC291158 |
0.6585 | Remote Similarity | NPC139131 |
0.6585 | Remote Similarity | NPC272998 |
0.6585 | Remote Similarity | NPC205141 |
0.6585 | Remote Similarity | NPC181516 |
0.6585 | Remote Similarity | NPC185538 |
0.6552 | Remote Similarity | NPC474552 |
0.6552 | Remote Similarity | NPC235788 |
0.6538 | Remote Similarity | NPC161366 |
0.6512 | Remote Similarity | NPC474392 |
0.6512 | Remote Similarity | NPC474914 |
0.65 | Remote Similarity | NPC168982 |
0.6491 | Remote Similarity | NPC251042 |
0.6491 | Remote Similarity | NPC469921 |
0.6491 | Remote Similarity | NPC122521 |
0.6491 | Remote Similarity | NPC174447 |
0.6491 | Remote Similarity | NPC235242 |
0.6481 | Remote Similarity | NPC10316 |
0.6481 | Remote Similarity | NPC128061 |
0.6481 | Remote Similarity | NPC28779 |
0.6481 | Remote Similarity | NPC200845 |
0.6481 | Remote Similarity | NPC223677 |
0.6481 | Remote Similarity | NPC228473 |
0.6471 | Remote Similarity | NPC319110 |
0.6471 | Remote Similarity | NPC329181 |
0.6471 | Remote Similarity | NPC305182 |
0.6444 | Remote Similarity | NPC81263 |
0.6441 | Remote Similarity | NPC68343 |
0.6441 | Remote Similarity | NPC328089 |
0.6441 | Remote Similarity | NPC314103 |
0.6429 | Remote Similarity | NPC49615 |
0.6429 | Remote Similarity | NPC7814 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC307783 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 |
---|---|---|---|
1.0 | High Similarity | NPD2270 | Approved |
0.9474 | High Similarity | NPD633 | Phase 3 |
0.9474 | High Similarity | NPD9448 | Phase 2 |
0.9268 | High Similarity | NPD3199 | Clinical (unspecified phase) |
0.9211 | High Similarity | NPD3206 | Approved |
0.8974 | High Similarity | NPD9655 | Approved |
0.8182 | Intermediate Similarity | NPD634 | Phase 3 |
0.7955 | Intermediate Similarity | NPD2699 | Approved |
0.7917 | Intermediate Similarity | NPD3186 | Phase 1 |
0.76 | Intermediate Similarity | NPD3196 | Approved |
0.76 | Intermediate Similarity | NPD3728 | Approved |
0.76 | Intermediate Similarity | NPD4266 | Approved |
0.76 | Intermediate Similarity | NPD3729 | Clinical (unspecified phase) |
0.76 | Intermediate Similarity | NPD3195 | Phase 2 |
0.76 | Intermediate Similarity | NPD3730 | Approved |
0.76 | Intermediate Similarity | NPD3194 | Approved |
0.75 | Intermediate Similarity | NPD387 | Clinical (unspecified phase) |
0.7447 | Intermediate Similarity | NPD622 | Approved |
0.74 | Intermediate Similarity | NPD3172 | Approved |
0.7391 | Intermediate Similarity | NPD9430 | Approved |
0.7391 | Intermediate Similarity | NPD9431 | Approved |
0.7209 | Intermediate Similarity | NPD9450 | Approved |
0.7209 | Intermediate Similarity | NPD77 | Approved |
0.7083 | Intermediate Similarity | NPD6125 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD29 | Approved |
0.7 | Intermediate Similarity | NPD28 | Approved |
0.6977 | Remote Similarity | NPD9513 | Phase 1 |
0.6923 | Remote Similarity | NPD615 | Clinical (unspecified phase) |
0.6909 | Remote Similarity | NPD3198 | Approved |
0.6744 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.6735 | Remote Similarity | NPD2266 | Phase 2 |
0.6667 | Remote Similarity | NPD9638 | Phase 2 |
0.66 | Remote Similarity | NPD3173 | Approved |
0.6585 | Remote Similarity | NPD2272 | Approved |
0.6585 | Remote Similarity | NPD5383 | Approved |
0.6441 | Remote Similarity | NPD3197 | Phase 1 |
0.6441 | Remote Similarity | NPD7909 | Approved |
0.6429 | Remote Similarity | NPD8857 | Approved |
0.6304 | Remote Similarity | NPD9635 | Discontinued |
0.6279 | Remote Similarity | NPD9447 | Approved |
0.6102 | Remote Similarity | NPD9676 | Phase 3 |
0.6 | Remote Similarity | NPD4222 | Approved |
0.6 | Remote Similarity | NPD3174 | Discontinued |
0.6 | Remote Similarity | NPD39 | Approved |
0.5968 | Remote Similarity | NPD4224 | Phase 2 |
0.5932 | Remote Similarity | NPD9656 | Approved |
0.5918 | Remote Similarity | NPD9019 | Approved |
0.5758 | Remote Similarity | NPD6081 | Approved |
0.5758 | Remote Similarity | NPD6944 | Clinical (unspecified phase) |
0.569 | Remote Similarity | NPD9438 | Approved |
0.569 | Remote Similarity | NPD9439 | Approved |
0.5667 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.566 | Remote Similarity | NPD9016 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD7536 | Approved |
0.5614 | Remote Similarity | NPD9454 | Approved |
0.56 | Remote Similarity | NPD5326 | Phase 3 |
PubChem CID   | 10470 |
ChEMBL   | CHEMBL2261064 |
ZINC   |
Molecular Weight:   | 424.43 |
ALogP:   | -7.3537 |
MLogP:   | 4.32 |
XLogP:   | 14.398 |
# Rotatable Bonds:   | 28 |
Polar Surface Area:   | 37.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 30 |