Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO20995 | Syringa pinnafolia | Species | Oleaceae | Eukaryota | HerDing* | |||
NPO27791 | Zingiber zerumbet | Species | Zingiberaceae | Eukaryota | HerDing* | |||
NPO27791 | Zingiber zerumbet | Species | Zingiberaceae | Eukaryota | Rhizomes |
PMID[15997145] |
||
NPO31107 | Zingiber cassumunar | Species | Zingiberaceae | Eukaryota | Rhizomes |
PMID[1804548] |
||
NPO1183 | Ligularia macrophylla | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO9510 | Penicillium leucopus | Species | Aspergillaceae | Eukaryota | UNPD* | |||
NPO3069 | Quercus agrifolia | Species | Fagaceae | Eukaryota | UNPD* | |||
NPO29538 | Curcumae radix | NA | NA | NA | TCMSP* | |||
NPO5033 | Alpinia galanga | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO24124 | Curcuma longa | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO4682 | Lindera aggregata | Species | Lauraceae | Eukaryota | TM-MC* | |||
NPO13346 | Lindera strichnifolia | Species | Tineidae | Eukaryota | TM-MC* | |||
NPO27791 | Zingiber zerumbet | Species | Zingiberaceae | Eukaryota | TCMID* | |||
NPO12458 | Zingiber aromaticum | Species | Zingiberaceae | Eukaryota | TCMID* | |||
NPO20995 | Syringa pinnafolia | Species | Oleaceae | Eukaryota | TCMID* | |||
NPO9035 | Verbascum thapsus | Species | Scrophulariaceae | Eukaryota | UNPD* | |||
NPO12458 | Zingiber aromaticum | Species | Zingiberaceae | Eukaryota |
PMID[15270556] |
|||
NPO27625 | Buddleja globosa | Species | Scrophulariaceae | Eukaryota | Roots | London |
PMID[10514305] |
|
NPO12458 | Zingiber aromaticum | Species | Zingiberaceae | Eukaryota | HerDing* | |||
NPO12458 | Zingiber aromaticum | Species | Zingiberaceae | Eukaryota | Rhizomes | DOI[10.1080/10575639708043725] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT5237 | Individual Protein | Sensor histidine kinase yycG | Bacillus subtilis (strain 168) | IC50 | > | 500 | ug/ml | 17157007 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 100 | ug/ml | 17157007 |
NPT175 | Organism | Enterococcus faecalis | Enterococcus faecalis | MIC | > | 100 | ug/ml | 17157007 |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | IC50 | = | 21800 | nM | 15270556 |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | IC50 | > | 100000 | nM | 15270556 |
NPT1896 | Individual Protein | Zinc finger protein GLI1 | Homo sapiens | IC50 | = | 7100 | nM | 19309080 |
NPT5108 | Individual Protein | Zinc finger protein GLI2 | Homo sapiens | IC50 | = | 910 | nM | 19309080 |
NPT2 | Others | Unspecified | Ratio IC50 | = | 7 | 19309080 | ||
NPT2 | Others | Unspecified | Inhibition | = | 0 | % | 10514305 | |
NPT183 | Individual Protein | Arachidonate 5-lipoxygenase | Rattus norvegicus | Inhibition | = | 0 | % | 10514305 |
NPT66 | Individual Protein | Acetylcholinesterase | Electrophorus electricus | Inhibition | = | -4.84 | % | 23062825 |
NPT67 | Individual Protein | Cholinesterase | Equus caballus | Inhibition | = | 4.2 | % | 23062825 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 9.67 | ug/ml | 26459207 |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 13.34 | ug/ml | 26459207 |
NPT2 | Others | Unspecified | IC50 | = | 6.05 | ug/ml | 26459207 | |
NPT4468 | Cell Line | P338 | Mus musculus | IC50 | = | 2.63 | ug/ml | 26459207 |
NPT660 | Cell Line | SW480 | Homo sapiens | IC50 | = | 3.15 | ug/ml | 26459207 |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | = | 3.15 | ug/ml | 26459207 |
NPT81 | Cell Line | A549 | Homo sapiens | Inhibition | = | 48 | % | 26681550 |
NPT81 | Cell Line | A549 | Homo sapiens | Inhibition | = | 69 | % | 26681550 |
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 NPC216921 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 |
---|---|---|
0.8696 | High Similarity | NPC118788 |
0.8163 | Intermediate Similarity | NPC37644 |
0.8095 | Intermediate Similarity | NPC217923 |
0.8049 | Intermediate Similarity | NPC185839 |
0.8 | Intermediate Similarity | NPC269641 |
0.8 | Intermediate Similarity | NPC477686 |
0.7917 | Intermediate Similarity | NPC228776 |
0.7907 | Intermediate Similarity | NPC111474 |
0.7857 | Intermediate Similarity | NPC180840 |
0.7826 | Intermediate Similarity | NPC191337 |
0.7826 | Intermediate Similarity | NPC166788 |
0.7805 | Intermediate Similarity | NPC38497 |
0.78 | Intermediate Similarity | NPC14002 |
0.78 | Intermediate Similarity | NPC296311 |
0.78 | Intermediate Similarity | NPC23117 |
0.7778 | Intermediate Similarity | NPC301972 |
0.775 | Intermediate Similarity | NPC12889 |
0.766 | Intermediate Similarity | NPC262558 |
0.766 | Intermediate Similarity | NPC100380 |
0.766 | Intermediate Similarity | NPC8610 |
0.7647 | Intermediate Similarity | NPC5626 |
0.7609 | Intermediate Similarity | NPC471753 |
0.7551 | Intermediate Similarity | NPC15325 |
0.7547 | Intermediate Similarity | NPC71755 |
0.75 | Intermediate Similarity | NPC18205 |
0.75 | Intermediate Similarity | NPC266979 |
0.75 | Intermediate Similarity | NPC12319 |
0.7451 | Intermediate Similarity | NPC295777 |
0.7451 | Intermediate Similarity | NPC69898 |
0.7442 | Intermediate Similarity | NPC155880 |
0.7442 | Intermediate Similarity | NPC92863 |
0.7407 | Intermediate Similarity | NPC311852 |
0.74 | Intermediate Similarity | NPC64866 |
0.7347 | Intermediate Similarity | NPC145311 |
0.7292 | Intermediate Similarity | NPC471752 |
0.725 | Intermediate Similarity | NPC66577 |
0.7234 | Intermediate Similarity | NPC145755 |
0.7234 | Intermediate Similarity | NPC25771 |
0.7234 | Intermediate Similarity | NPC267514 |
0.7209 | Intermediate Similarity | NPC24833 |
0.72 | Intermediate Similarity | NPC58970 |
0.72 | Intermediate Similarity | NPC32351 |
0.72 | Intermediate Similarity | NPC176819 |
0.72 | Intermediate Similarity | NPC163984 |
0.7111 | Intermediate Similarity | NPC113082 |
0.7111 | Intermediate Similarity | NPC101147 |
0.7091 | Intermediate Similarity | NPC60772 |
0.7059 | Intermediate Similarity | NPC30433 |
0.7021 | Intermediate Similarity | NPC292463 |
0.7018 | Intermediate Similarity | NPC228574 |
0.7018 | Intermediate Similarity | NPC294304 |
0.6981 | Remote Similarity | NPC474127 |
0.6964 | Remote Similarity | NPC96551 |
0.6964 | Remote Similarity | NPC285594 |
0.6964 | Remote Similarity | NPC203233 |
0.6957 | Remote Similarity | NPC7754 |
0.6957 | Remote Similarity | NPC33489 |
0.6957 | Remote Similarity | NPC270170 |
0.6923 | Remote Similarity | NPC471751 |
0.6909 | Remote Similarity | NPC115385 |
0.6897 | Remote Similarity | NPC288253 |
0.6889 | Remote Similarity | NPC33761 |
0.6863 | Remote Similarity | NPC225974 |
0.6842 | Remote Similarity | NPC25853 |
0.6818 | Remote Similarity | NPC254764 |
0.6818 | Remote Similarity | NPC279300 |
0.6809 | Remote Similarity | NPC208936 |
0.6809 | Remote Similarity | NPC67920 |
0.6809 | Remote Similarity | NPC287397 |
0.6809 | Remote Similarity | NPC298710 |
0.68 | Remote Similarity | NPC324812 |
0.6792 | Remote Similarity | NPC268564 |
0.6792 | Remote Similarity | NPC45283 |
0.6786 | Remote Similarity | NPC30215 |
0.6786 | Remote Similarity | NPC94991 |
0.6786 | Remote Similarity | NPC266295 |
0.675 | Remote Similarity | NPC155900 |
0.6739 | Remote Similarity | NPC323278 |
0.6735 | Remote Similarity | NPC474202 |
0.6735 | Remote Similarity | NPC474362 |
0.6724 | Remote Similarity | NPC97322 |
0.6724 | Remote Similarity | NPC260573 |
0.6667 | Remote Similarity | NPC259261 |
0.6667 | Remote Similarity | NPC106819 |
0.6667 | Remote Similarity | NPC130923 |
0.6667 | Remote Similarity | NPC38455 |
0.6667 | Remote Similarity | NPC251118 |
0.661 | Remote Similarity | NPC165695 |
0.661 | Remote Similarity | NPC167256 |
0.661 | Remote Similarity | NPC32285 |
0.6607 | Remote Similarity | NPC22019 |
0.6607 | Remote Similarity | NPC281986 |
0.6607 | Remote Similarity | NPC208749 |
0.6607 | Remote Similarity | NPC321568 |
0.6604 | Remote Similarity | NPC46565 |
0.6604 | Remote Similarity | NPC229046 |
0.66 | Remote Similarity | NPC4079 |
0.66 | Remote Similarity | NPC236355 |
0.66 | Remote Similarity | NPC14917 |
0.6591 | Remote Similarity | NPC75204 |
0.6552 | Remote Similarity | NPC127582 |
0.6545 | Remote Similarity | NPC275472 |
0.6545 | Remote Similarity | NPC297280 |
0.6538 | Remote Similarity | NPC474391 |
0.6538 | Remote Similarity | NPC20934 |
0.6538 | Remote Similarity | NPC288381 |
0.6538 | Remote Similarity | NPC27264 |
0.6538 | Remote Similarity | NPC236338 |
0.6538 | Remote Similarity | NPC220191 |
0.6531 | Remote Similarity | NPC6963 |
0.6531 | Remote Similarity | NPC304079 |
0.65 | Remote Similarity | NPC4638 |
0.65 | Remote Similarity | NPC212210 |
0.6491 | Remote Similarity | NPC308108 |
0.6491 | Remote Similarity | NPC27610 |
0.6491 | Remote Similarity | NPC281195 |
0.6491 | Remote Similarity | NPC170799 |
0.6491 | Remote Similarity | NPC56905 |
0.6481 | Remote Similarity | NPC474805 |
0.6481 | Remote Similarity | NPC474141 |
0.6471 | Remote Similarity | NPC91962 |
0.6471 | Remote Similarity | NPC471958 |
0.6458 | Remote Similarity | NPC51758 |
0.6458 | Remote Similarity | NPC68889 |
0.6458 | Remote Similarity | NPC209279 |
0.6458 | Remote Similarity | NPC108494 |
0.6458 | Remote Similarity | NPC180871 |
0.6458 | Remote Similarity | NPC67761 |
0.6458 | Remote Similarity | NPC88079 |
0.6458 | Remote Similarity | NPC194586 |
0.6452 | Remote Similarity | NPC106613 |
0.6444 | Remote Similarity | NPC220061 |
0.6441 | Remote Similarity | NPC475795 |
0.6441 | Remote Similarity | NPC213152 |
0.6429 | Remote Similarity | NPC473733 |
0.6429 | Remote Similarity | NPC206088 |
0.6415 | Remote Similarity | NPC27438 |
0.6415 | Remote Similarity | NPC477458 |
0.6415 | Remote Similarity | NPC234829 |
0.6415 | Remote Similarity | NPC148056 |
0.6415 | Remote Similarity | NPC22329 |
0.64 | Remote Similarity | NPC270706 |
0.6383 | Remote Similarity | NPC56917 |
0.6364 | Remote Similarity | NPC300121 |
0.6364 | Remote Similarity | NPC189677 |
0.6364 | Remote Similarity | NPC322461 |
0.6364 | Remote Similarity | NPC72258 |
0.6364 | Remote Similarity | NPC317796 |
0.6349 | Remote Similarity | NPC260474 |
0.6349 | Remote Similarity | NPC87141 |
0.6349 | Remote Similarity | NPC188292 |
0.6346 | Remote Similarity | NPC267110 |
0.6346 | Remote Similarity | NPC15912 |
0.6341 | Remote Similarity | NPC138113 |
0.6333 | Remote Similarity | NPC322457 |
0.6316 | Remote Similarity | NPC267626 |
0.6316 | Remote Similarity | NPC193695 |
0.6316 | Remote Similarity | NPC268185 |
0.6316 | Remote Similarity | NPC281230 |
0.6316 | Remote Similarity | NPC230823 |
0.6316 | Remote Similarity | NPC283502 |
0.6316 | Remote Similarity | NPC192843 |
0.6316 | Remote Similarity | NPC55004 |
0.6316 | Remote Similarity | NPC49575 |
0.6296 | Remote Similarity | NPC151919 |
0.6296 | Remote Similarity | NPC137396 |
0.629 | Remote Similarity | NPC176171 |
0.629 | Remote Similarity | NPC92327 |
0.6279 | Remote Similarity | NPC304788 |
0.6275 | Remote Similarity | NPC276009 |
0.6275 | Remote Similarity | NPC308331 |
0.6275 | Remote Similarity | NPC128280 |
0.6275 | Remote Similarity | NPC195246 |
0.6275 | Remote Similarity | NPC22098 |
0.625 | Remote Similarity | NPC188596 |
0.625 | Remote Similarity | NPC136473 |
0.625 | Remote Similarity | NPC188789 |
0.625 | Remote Similarity | NPC473603 |
0.625 | Remote Similarity | NPC256846 |
0.625 | Remote Similarity | NPC476059 |
0.623 | Remote Similarity | NPC6697 |
0.623 | Remote Similarity | NPC475124 |
0.623 | Remote Similarity | NPC285371 |
0.623 | Remote Similarity | NPC473902 |
0.6226 | Remote Similarity | NPC116906 |
0.6226 | Remote Similarity | NPC15789 |
0.6226 | Remote Similarity | NPC221467 |
0.619 | Remote Similarity | NPC475523 |
0.619 | Remote Similarity | NPC60288 |
0.619 | Remote Similarity | NPC176107 |
0.6167 | Remote Similarity | NPC64985 |
0.614 | Remote Similarity | NPC325977 |
0.614 | Remote Similarity | NPC20603 |
0.6129 | Remote Similarity | NPC470329 |
0.6129 | Remote Similarity | NPC470688 |
0.6111 | Remote Similarity | NPC43053 |
0.6102 | Remote Similarity | NPC472304 |
0.6102 | Remote Similarity | NPC276764 |
0.6102 | Remote Similarity | NPC143834 |
0.6094 | Remote Similarity | NPC117804 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC216921 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 |
---|---|---|---|
0.7674 | Intermediate Similarity | NPD5783 | Phase 3 |
0.6491 | Remote Similarity | NPD287 | Approved |
0.6364 | Remote Similarity | NPD539 | Approved |
0.6346 | Remote Similarity | NPD4220 | Pre-registration |
0.6034 | Remote Similarity | NPD8779 | Phase 3 |
0.5909 | Remote Similarity | NPD4691 | Approved |
0.5902 | Remote Similarity | NPD4193 | Approved |
0.5902 | Remote Similarity | NPD4191 | Approved |
0.5902 | Remote Similarity | NPD4192 | Approved |
0.5902 | Remote Similarity | NPD4194 | Approved |
0.5882 | Remote Similarity | NPD4058 | Approved |
0.5781 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5769 | Remote Similarity | NPD4222 | Approved |
0.5769 | Remote Similarity | NPD3174 | Discontinued |
0.5769 | Remote Similarity | NPD39 | Approved |
0.5758 | Remote Similarity | NPD4137 | Phase 3 |
0.5692 | Remote Similarity | NPD3709 | Clinical (unspecified phase) |
0.5686 | Remote Similarity | NPD5326 | Phase 3 |
0.5672 | Remote Similarity | NPD4747 | Approved |
0.5652 | Remote Similarity | NPD4687 | Approved |
PubChem CID   | 5470187 |
ChEMBL   | CHEMBL245412 |
ZINC   |
Molecular Weight:   | 218.17 |
ALogP:   | 3.4791 |
MLogP:   | 3 |
XLogP:   | 4.143 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 16 |