Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | roots | Purchased from Kiu Shun Trading Ltd., Vancouver, Canada | 2000 |
PMID[16643021] |
NPO24374 | Brunsvigia orientalis | Species | Amaryllidaceae | Eukaryota | UNPD* | |||
NPO25131 | Parmelia weberi | Species | Parmeliaceae | Eukaryota | UNPD* | |||
NPO24758 | Angelica dahurica | Species | Apiaceae | Eukaryota | TCMSP* | |||
NPO18129 | Notopterygii rhizoma et radix | NA | NA | NA | TCMSP* | |||
NPO29710 | Saposhnikoviae radix | NA | NA | NA | TCMSP* | |||
NPO29700 | Peucedani radix | NA | NA | NA | TCMSP* | |||
NPO29661 | Glehniae radix | NA | NA | NA | TCMSP* | |||
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO24758 | Angelica dahurica | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO15394 | Angelica decursiva | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO22033 | Cnidium officinale | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO8874 | Glehnia littoralis | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO18951 | Ligusticum sinense | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO24644 | Hansenia forbesii | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO2392 | Hansenia weberbaueriana | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO2953 | Ostericum grosseserratum | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO4340 | Peucedanum praeruptorum | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO3509 | Angelica furcijuga | Species | Apiaceae | Eukaryota | roots | Miyazaki prefecture, Japan |
PMID[9873511] |
|
NPO18101 | Cicuta virosa | Species | Apiaceae | Eukaryota | subterranean part |
PMID[11087575] |
||
NPO25695 | Oplopanax horridus | Species | Araliaceae | Eukaryota |
PMID[20218656] |
|||
NPO21056 | Angelica keiskei | Species | Apiaceae | Eukaryota | Stems |
PMID[25891102] |
||
NPO25695 | Oplopanax horridus | Species | Araliaceae | Eukaryota |
PMID[9392889] |
|||
NPO25663 | Piscidia piscipula | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO23922 | Helichrysum oxyphyllum | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO23679 | Streptomyces roseiscleroticus | Species | Streptomycetaceae | Bacteria | UNPD* | |||
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | TCM_Taiwan* | |||
NPO28058 | Seseli grandivittatum | Species | Apiaceae | Eukaryota | TCM_Taiwan* | |||
NPO638 | Aralia fargesii | Species | Araliaceae | Eukaryota | TCM_Taiwan* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | ED50 | = | 3.2 | ug/ml | 9871635 | |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | IC50 | > | 100000 | nM | 9873511 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Inhibition | = | -33 | % | 9873511 |
NPT32 | Organism | Mus musculus | Mus musculus | IC50 | = | 4400 | nM | 9873511 |
NPT32 | Organism | Mus musculus | Mus musculus | LD50 | > | 200 | mg/kg | 11087575 |
NPT805 | Protein Complex | GABA-A receptor; anion channel | Rattus norvegicus | IC50 | > | 10000 | nM | 11087575 |
NPT1069 | Individual Protein | Mu opioid receptor | Rattus norvegicus | Activity | > | 50 | % | 18166466 |
NPT1167 | Individual Protein | Delta opioid receptor | Mus musculus | Activity | > | 50 | % | 18166466 |
NPT272 | Individual Protein | Kappa opioid receptor | Homo sapiens | Activity | > | 50 | % | 18166466 |
NPT1069 | Individual Protein | Mu opioid receptor | Rattus norvegicus | Ki | = | 1125 | nM | 18166466 |
NPT1167 | Individual Protein | Delta opioid receptor | Mus musculus | Ki | = | 1096 | nM | 18166466 |
NPT272 | Individual Protein | Kappa opioid receptor | Homo sapiens | Ki | = | 2515 | nM | 18166466 |
NPT1857 | Individual Protein | Dopamine D1 receptor | Rattus norvegicus | Ki | = | 192 | nM | 18166466 |
NPT1857 | Individual Protein | Dopamine D1 receptor | Rattus norvegicus | Activity | > | 50 | % | 18166466 |
NPT2 | Others | Unspecified | GI50 | = | 660 | nM | 8792622 | |
NPT2 | Others | Unspecified | TGI | = | 2200 | nM | 8792622 | |
NPT2 | Others | Unspecified | LC50 | = | 7600 | nM | 8792622 | |
NPT30 | Individual Protein | Cyclooxygenase-1 | Homo sapiens | IC50 | = | 66000 | nM | 16038536 |
NPT176 | Organism | Artemia salina | Artemia salina | LC50 | = | 3.32 | ug/ml | 8254353 |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | = | 8900 | nM | 15387667 |
NPT453 | Cell Line | HT-1080 | Homo sapiens | IC50 | = | 13000 | nM | 15387667 |
NPT114 | Cell Line | LoVo | Homo sapiens | IC50 | = | 4300 | nM | 15387667 |
NPT114 | Cell Line | LoVo | Homo sapiens | IC50 | > | 40000 | nM | 15387667 |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 25 | ug/ml | 9392889 |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | > | 50 | ug/ml | 9392889 |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | > | 50 | ug/ml | 9392889 |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | = | 50 | ug/ml | 9392889 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 25 | ug/ml | 9392889 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | MIC | = | 6.25 | ug/ml | 9392889 |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 25 | ug/ml | 9392889 |
NPT1785 | Individual Protein | Serotonin 7 (5-HT7) receptor | Homo sapiens | IC50 | = | 117500 | nM | 16643021 |
NPT1785 | Individual Protein | Serotonin 7 (5-HT7) receptor | Homo sapiens | Inhibition | = | 61 | % | 16643021 |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 2.5 | ug/ml | 10217726 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 12.5 | ug/ml | 10217726 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 25 | ug/ml | 10217726 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | MIC | = | 12.5 | ug/ml | 10217726 |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 6.2 | ug/ml | 20218656 |
NPT319 | Cell Line | B16 | Mus musculus | IC50 | = | 2.9 | ug/ml | 22450129 |
NPT178 | Individual Protein | Protein-tyrosine phosphatase 1B | Homo sapiens | IC50 | = | 8.22 | ug/ml | 25891102 |
NPT178 | Individual Protein | Protein-tyrosine phosphatase 1B | Homo sapiens | Inhibition | = | 97.85 | % | 25891102 |
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 NPC248884 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 | NPC31194 |
1.0 | High Similarity | NPC85079 |
0.9783 | High Similarity | NPC72699 |
0.9574 | High Similarity | NPC151782 |
0.9565 | High Similarity | NPC125122 |
0.9565 | High Similarity | NPC471276 |
0.9565 | High Similarity | NPC471275 |
0.9565 | High Similarity | NPC471280 |
0.9565 | High Similarity | NPC153538 |
0.9556 | High Similarity | NPC124183 |
0.9556 | High Similarity | NPC55063 |
0.9556 | High Similarity | NPC35141 |
0.9556 | High Similarity | NPC19834 |
0.9362 | High Similarity | NPC473913 |
0.9362 | High Similarity | NPC474642 |
0.9362 | High Similarity | NPC471281 |
0.9362 | High Similarity | NPC199286 |
0.9362 | High Similarity | NPC477727 |
0.9362 | High Similarity | NPC249670 |
0.9333 | High Similarity | NPC269074 |
0.9167 | High Similarity | NPC329608 |
0.9167 | High Similarity | NPC165447 |
0.9167 | High Similarity | NPC294278 |
0.9167 | High Similarity | NPC76198 |
0.9167 | High Similarity | NPC9273 |
0.9167 | High Similarity | NPC89824 |
0.9167 | High Similarity | NPC224148 |
0.9167 | High Similarity | NPC197272 |
0.9167 | High Similarity | NPC471959 |
0.9167 | High Similarity | NPC256656 |
0.9167 | High Similarity | NPC477723 |
0.9167 | High Similarity | NPC475477 |
0.9167 | High Similarity | NPC93639 |
0.9167 | High Similarity | NPC55383 |
0.9167 | High Similarity | NPC170776 |
0.9111 | High Similarity | NPC101616 |
0.9 | High Similarity | NPC256209 |
0.9 | High Similarity | NPC49059 |
0.898 | High Similarity | NPC142092 |
0.8776 | High Similarity | NPC71053 |
0.8776 | High Similarity | NPC59408 |
0.8723 | High Similarity | NPC180575 |
0.8667 | High Similarity | NPC304151 |
0.8627 | High Similarity | NPC110732 |
0.8627 | High Similarity | NPC48058 |
0.8627 | High Similarity | NPC473532 |
0.8571 | High Similarity | NPC328784 |
0.8571 | High Similarity | NPC291437 |
0.8491 | Intermediate Similarity | NPC193975 |
0.8462 | Intermediate Similarity | NPC473910 |
0.8462 | Intermediate Similarity | NPC477726 |
0.8462 | Intermediate Similarity | NPC473721 |
0.8462 | Intermediate Similarity | NPC474644 |
0.8462 | Intermediate Similarity | NPC475353 |
0.8462 | Intermediate Similarity | NPC474513 |
0.8462 | Intermediate Similarity | NPC473725 |
0.8462 | Intermediate Similarity | NPC477725 |
0.8462 | Intermediate Similarity | NPC473896 |
0.8462 | Intermediate Similarity | NPC473735 |
0.8462 | Intermediate Similarity | NPC471239 |
0.8462 | Intermediate Similarity | NPC146551 |
0.8462 | Intermediate Similarity | NPC470963 |
0.84 | Intermediate Similarity | NPC129263 |
0.8367 | Intermediate Similarity | NPC302310 |
0.8302 | Intermediate Similarity | NPC470964 |
0.8302 | Intermediate Similarity | NPC477661 |
0.8302 | Intermediate Similarity | NPC161838 |
0.8302 | Intermediate Similarity | NPC471960 |
0.8302 | Intermediate Similarity | NPC473865 |
0.8302 | Intermediate Similarity | NPC474643 |
0.8302 | Intermediate Similarity | NPC470967 |
0.8302 | Intermediate Similarity | NPC475384 |
0.8302 | Intermediate Similarity | NPC470966 |
0.8302 | Intermediate Similarity | NPC470969 |
0.8302 | Intermediate Similarity | NPC473847 |
0.8302 | Intermediate Similarity | NPC311648 |
0.8302 | Intermediate Similarity | NPC470968 |
0.8298 | Intermediate Similarity | NPC108195 |
0.8261 | Intermediate Similarity | NPC149668 |
0.8148 | Intermediate Similarity | NPC48968 |
0.8148 | Intermediate Similarity | NPC212730 |
0.8148 | Intermediate Similarity | NPC594 |
0.8148 | Intermediate Similarity | NPC265551 |
0.8148 | Intermediate Similarity | NPC470970 |
0.8113 | Intermediate Similarity | NPC152668 |
0.8077 | Intermediate Similarity | NPC34577 |
0.8077 | Intermediate Similarity | NPC61177 |
0.8039 | Intermediate Similarity | NPC474495 |
0.8039 | Intermediate Similarity | NPC473672 |
0.8036 | Intermediate Similarity | NPC471278 |
0.8 | Intermediate Similarity | NPC15934 |
0.7959 | Intermediate Similarity | NPC157096 |
0.7895 | Intermediate Similarity | NPC66460 |
0.7895 | Intermediate Similarity | NPC271282 |
0.7895 | Intermediate Similarity | NPC325929 |
0.7872 | Intermediate Similarity | NPC206906 |
0.7857 | Intermediate Similarity | NPC473652 |
0.7826 | Intermediate Similarity | NPC27444 |
0.7826 | Intermediate Similarity | NPC329762 |
0.7826 | Intermediate Similarity | NPC103236 |
0.7818 | Intermediate Similarity | NPC44542 |
0.7759 | Intermediate Similarity | NPC29697 |
0.7755 | Intermediate Similarity | NPC276825 |
0.7736 | Intermediate Similarity | NPC477724 |
0.7736 | Intermediate Similarity | NPC26102 |
0.7736 | Intermediate Similarity | NPC187361 |
0.7586 | Intermediate Similarity | NPC168407 |
0.7586 | Intermediate Similarity | NPC475984 |
0.7556 | Intermediate Similarity | NPC216416 |
0.75 | Intermediate Similarity | NPC472445 |
0.75 | Intermediate Similarity | NPC473768 |
0.75 | Intermediate Similarity | NPC475071 |
0.7458 | Intermediate Similarity | NPC470965 |
0.7407 | Intermediate Similarity | NPC474496 |
0.7407 | Intermediate Similarity | NPC284224 |
0.7358 | Intermediate Similarity | NPC29234 |
0.7347 | Intermediate Similarity | NPC116934 |
0.7333 | Intermediate Similarity | NPC226592 |
0.7333 | Intermediate Similarity | NPC470320 |
0.7333 | Intermediate Similarity | NPC213767 |
0.7308 | Intermediate Similarity | NPC475153 |
0.7292 | Intermediate Similarity | NPC269823 |
0.7241 | Intermediate Similarity | NPC222852 |
0.7234 | Intermediate Similarity | NPC255042 |
0.7234 | Intermediate Similarity | NPC182840 |
0.7234 | Intermediate Similarity | NPC29091 |
0.7234 | Intermediate Similarity | NPC103213 |
0.7222 | Intermediate Similarity | NPC35756 |
0.7222 | Intermediate Similarity | NPC473705 |
0.72 | Intermediate Similarity | NPC138935 |
0.7193 | Intermediate Similarity | NPC471277 |
0.7193 | Intermediate Similarity | NPC471279 |
0.717 | Intermediate Similarity | NPC474460 |
0.717 | Intermediate Similarity | NPC182102 |
0.717 | Intermediate Similarity | NPC26960 |
0.7143 | Intermediate Similarity | NPC317899 |
0.7143 | Intermediate Similarity | NPC256766 |
0.7143 | Intermediate Similarity | NPC213538 |
0.7143 | Intermediate Similarity | NPC46248 |
0.7143 | Intermediate Similarity | NPC249801 |
0.7111 | Intermediate Similarity | NPC58957 |
0.7091 | Intermediate Similarity | NPC217188 |
0.7069 | Intermediate Similarity | NPC181872 |
0.7059 | Intermediate Similarity | NPC474362 |
0.7059 | Intermediate Similarity | NPC474202 |
0.7059 | Intermediate Similarity | NPC160628 |
0.7059 | Intermediate Similarity | NPC76976 |
0.7059 | Intermediate Similarity | NPC140501 |
0.7 | Intermediate Similarity | NPC252978 |
0.6984 | Remote Similarity | NPC473752 |
0.6981 | Remote Similarity | NPC267110 |
0.6964 | Remote Similarity | NPC269615 |
0.6949 | Remote Similarity | NPC473866 |
0.6949 | Remote Similarity | NPC474267 |
0.6949 | Remote Similarity | NPC122239 |
0.6897 | Remote Similarity | NPC474577 |
0.6897 | Remote Similarity | NPC121034 |
0.6889 | Remote Similarity | NPC250734 |
0.6885 | Remote Similarity | NPC55068 |
0.6875 | Remote Similarity | NPC306850 |
0.6863 | Remote Similarity | NPC145755 |
0.6863 | Remote Similarity | NPC267514 |
0.6852 | Remote Similarity | NPC473487 |
0.6852 | Remote Similarity | NPC20934 |
0.6852 | Remote Similarity | NPC288381 |
0.6842 | Remote Similarity | NPC329686 |
0.6842 | Remote Similarity | NPC227135 |
0.6833 | Remote Similarity | NPC327112 |
0.68 | Remote Similarity | NPC31121 |
0.6786 | Remote Similarity | NPC475723 |
0.678 | Remote Similarity | NPC469373 |
0.678 | Remote Similarity | NPC226848 |
0.6727 | Remote Similarity | NPC244038 |
0.6724 | Remote Similarity | NPC324224 |
0.6724 | Remote Similarity | NPC55412 |
0.6724 | Remote Similarity | NPC249645 |
0.6724 | Remote Similarity | NPC472808 |
0.6721 | Remote Similarity | NPC477829 |
0.6667 | Remote Similarity | NPC136164 |
0.6667 | Remote Similarity | NPC300121 |
0.6667 | Remote Similarity | NPC308844 |
0.6667 | Remote Similarity | NPC255863 |
0.6667 | Remote Similarity | NPC329424 |
0.6667 | Remote Similarity | NPC189677 |
0.6667 | Remote Similarity | NPC245947 |
0.6667 | Remote Similarity | NPC40434 |
0.6667 | Remote Similarity | NPC475931 |
0.6667 | Remote Similarity | NPC34873 |
0.6607 | Remote Similarity | NPC106531 |
0.6596 | Remote Similarity | NPC79544 |
0.6557 | Remote Similarity | NPC130807 |
0.6557 | Remote Similarity | NPC471081 |
0.6552 | Remote Similarity | NPC232247 |
0.6552 | Remote Similarity | NPC251666 |
0.6552 | Remote Similarity | NPC474913 |
0.6538 | Remote Similarity | NPC474413 |
0.6538 | Remote Similarity | NPC473539 |
0.6522 | Remote Similarity | NPC81989 |
0.6522 | Remote Similarity | NPC62779 |
0.6508 | Remote Similarity | NPC300593 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC248884 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 |
---|---|---|---|
0.7059 | Intermediate Similarity | NPD4265 | Approved |
0.6885 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.6833 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6724 | Remote Similarity | NPD4219 | Approved |
0.6271 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.623 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.619 | Remote Similarity | NPD368 | Approved |
0.6176 | Remote Similarity | NPD3212 | Clinical (unspecified phase) |
0.6071 | Remote Similarity | NPD4220 | Pre-registration |
0.6 | Remote Similarity | NPD342 | Phase 1 |
0.6 | Remote Similarity | NPD3197 | Phase 1 |
0.597 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.5844 | Remote Similarity | NPD5332 | Approved |
0.5844 | Remote Similarity | NPD5331 | Approved |
0.5833 | Remote Similarity | NPD8264 | Approved |
0.5818 | Remote Similarity | NPD39 | Approved |
0.5775 | Remote Similarity | NPD4732 | Discontinued |
0.5692 | Remote Similarity | NPD4194 | Approved |
0.5692 | Remote Similarity | NPD4193 | Approved |
0.5692 | Remote Similarity | NPD4191 | Approved |
0.5692 | Remote Similarity | NPD4192 | Approved |
0.569 | Remote Similarity | NPD2268 | Discontinued |
0.5667 | Remote Similarity | NPD3172 | Approved |
0.56 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD4271 | Approved |
0.56 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD4268 | Approved |
PubChem CID   | 5281148 |
ChEMBL   | CHEMBL69018 |
ZINC   |
Molecular Weight:   | 260.18 |
ALogP:   | 0.2016 |
MLogP:   | 3.11 |
XLogP:   | 4.573 |
# Rotatable Bonds:   | 11 |
Polar Surface Area:   | 40.46 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 19 |