Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO389 | Actaea heracleifolia | Species | Ranunculaceae | Eukaryota | TM-MC* | |||
NPO2727 | Actaea simplex | Species | Ranunculaceae | Eukaryota | TM-MC* | |||
NPO9546 | Cinamomum cassia | NA | NA | NA | TM-MC* | |||
NPO8255 | Cinnamomum aromaticum | Species | Lauraceae | Eukaryota | TM-MC* | |||
NPO7317 | Citrus aurantium | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO27288 | Citrus maxima | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO22741 | Curcuma kwangsiensis | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO1515 | Lonicera japonica | Species | Caprifoliaceae | Eukaryota | TM-MC* | |||
NPO19787 | Citrus sinensis | Species | Rutaceae | Eukaryota | TCM_Taiwan* | |||
NPO24124 | Curcuma longa | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO23256 | Mentha arvensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TCM_Taiwan* | |||
NPO18068 | Curcuma phaeocaulis | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO13857 | Mentha canadensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO21807 | Lindera umbellata | Species | Lauraceae | Eukaryota | TCM_Taiwan* | |||
NPO22273 | Angelica pubescens | Species | Apiaceae | Eukaryota | TCM_Taiwan* | |||
NPO2618 | Curcuma wenyujin | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO18046 | Mosla chinensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO25618 | Eriobotrya japonica | Species | Rosaceae | Eukaryota | TCM_Taiwan* | |||
NPO18117 | Dalbergia odorifera | Species | Fabaceae | Eukaryota | TM-MC* | |||
NPO12182 | Murraya exotica | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO28211 | Valeriana jatamansii | Species | Caprifoliaceae | Eukaryota | TCM_Taiwan* | |||
NPO7698 | Elettaria cardamomum | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO2715 | Murraya paniculata | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO6528 | Myroxylon pereirae | Species | Fabaceae | Eukaryota | TCM_Taiwan* | |||
NPO21355 | Elsholtzia ciliata | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | TM-MC* | |||
NPO6701 | Cinnamomum camphora | Species | Lauraceae | Eukaryota | TCM_Taiwan* | |||
NPO3083 | Ferula assafoetida | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO21891 | Panax notoginseng | Species | Araliaceae | Eukaryota | TM-MC* | |||
NPO7317.2 | Citrus aurantium var. amara engl. | Varieties | Rutaceae | Eukaryota | TCM_Taiwan* | |||
NPO3780 | Ferula fukanensis | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO20712 | Panax quinquefolius | Species | Araliaceae | Eukaryota | TM-MC* | |||
NPO25682 | Acorus calamus | Species | Acoraceae | Eukaryota | TM-MC* | |||
NPO3412 | Ferula sinkiangensis | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO8650 | Perilla frutescens | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO1479 | Amomum longiligulare | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO28295 | Foeniculum vulgare | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO28928 | Piper nigrum | Species | Piperaceae | Eukaryota | TM-MC* | |||
NPO11820 | Amomum villosum | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO26293 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | TM-MC* | |||
NPO17494 | Prunella vulgaris | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO1631 | Amomum xanthioides | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO4391 | Hypericum perforatum | Species | Hypericaceae | Eukaryota | TM-MC* | |||
NPO8187 | Schisandra chinensis | Species | Schisandraceae | Eukaryota | TM-MC* | |||
NPO28276 | Artemisia argyi | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO13274 | Illicium verum | Species | Schisandraceae | Eukaryota | TM-MC* | |||
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO28807 | Laggera pterodonta | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO10391 | Dolomiaea souliei | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO10492 | Artemisia montana | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO4682 | Lindera aggregata | Species | Lauraceae | Eukaryota | TM-MC* | |||
NPO5315 | Zanthoxylum bungeanum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO25094 | Artemisia princeps | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO13346 | Lindera strichnifolia | Species | Tineidae | Eukaryota | TM-MC* | |||
NPO9290 | Zanthoxylum piperitum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO25825 | Saussurea costus | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO14650 | Lobelia chinensis | Species | Campanulaceae | Eukaryota | TM-MC* | |||
NPO8698 | Zanthoxylum schinifolium | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO29401 | Bupleurum chinense | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO3107 | Bupleurum falcatum | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO16841 | Elsholtzia bodinieri | Species | Lamiaceae | Eukaryota | TCMID* | |||
NPO1484 | Bupleurum scorzonerifolium | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | TM-MC* | |||
NPO28260 | Senna alexandrina | Species | Fabaceae | Eukaryota | TM-MC* | |||
NPO17295 | Chrysanthemum zawadskii | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO15373 | Actaea dahurica | Species | Ranunculaceae | Eukaryota | TM-MC* | |||
NPO15890 | Actaea cimicifuga | Species | Ranunculaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 54482.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 54482.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 21872.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 68589.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 61130.6 | 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 NPC108494 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 | NPC67761 |
1.0 | High Similarity | NPC209279 |
1.0 | High Similarity | NPC88079 |
1.0 | High Similarity | NPC194586 |
1.0 | High Similarity | NPC68889 |
1.0 | High Similarity | NPC51758 |
1.0 | High Similarity | NPC180871 |
0.9 | High Similarity | NPC56917 |
0.878 | High Similarity | NPC188596 |
0.8478 | Intermediate Similarity | NPC474460 |
0.8125 | Intermediate Similarity | NPC68014 |
0.78 | Intermediate Similarity | NPC474127 |
0.7755 | Intermediate Similarity | NPC35756 |
0.7647 | Intermediate Similarity | NPC227135 |
0.7442 | Intermediate Similarity | NPC182840 |
0.7442 | Intermediate Similarity | NPC103213 |
0.7442 | Intermediate Similarity | NPC29091 |
0.7442 | Intermediate Similarity | NPC255042 |
0.74 | Intermediate Similarity | NPC208638 |
0.7347 | Intermediate Similarity | NPC329773 |
0.7234 | Intermediate Similarity | NPC140501 |
0.7234 | Intermediate Similarity | NPC24824 |
0.7234 | Intermediate Similarity | NPC165651 |
0.7234 | Intermediate Similarity | NPC210560 |
0.7222 | Intermediate Similarity | NPC181872 |
0.7209 | Intermediate Similarity | NPC34873 |
0.7209 | Intermediate Similarity | NPC40434 |
0.72 | Intermediate Similarity | NPC26906 |
0.72 | Intermediate Similarity | NPC214584 |
0.7174 | Intermediate Similarity | NPC15162 |
0.7174 | Intermediate Similarity | NPC116934 |
0.7143 | Intermediate Similarity | NPC15912 |
0.7143 | Intermediate Similarity | NPC91765 |
0.7111 | Intermediate Similarity | NPC269823 |
0.7059 | Intermediate Similarity | NPC294358 |
0.7059 | Intermediate Similarity | NPC35519 |
0.7059 | Intermediate Similarity | NPC181255 |
0.7059 | Intermediate Similarity | NPC40417 |
0.7059 | Intermediate Similarity | NPC306195 |
0.7059 | Intermediate Similarity | NPC71506 |
0.7059 | Intermediate Similarity | NPC179169 |
0.7059 | Intermediate Similarity | NPC177112 |
0.7059 | Intermediate Similarity | NPC157781 |
0.7045 | Intermediate Similarity | NPC15934 |
0.7021 | Intermediate Similarity | NPC138935 |
0.7 | Intermediate Similarity | NPC206088 |
0.7 | Intermediate Similarity | NPC27264 |
0.6981 | Remote Similarity | NPC251666 |
0.6981 | Remote Similarity | NPC329686 |
0.6981 | Remote Similarity | NPC232247 |
0.6957 | Remote Similarity | NPC213538 |
0.6957 | Remote Similarity | NPC256766 |
0.6875 | Remote Similarity | NPC160628 |
0.6863 | Remote Similarity | NPC474495 |
0.6863 | Remote Similarity | NPC148056 |
0.6863 | Remote Similarity | NPC473672 |
0.6863 | Remote Similarity | NPC244038 |
0.6852 | Remote Similarity | NPC48891 |
0.6842 | Remote Similarity | NPC55376 |
0.68 | Remote Similarity | NPC62755 |
0.68 | Remote Similarity | NPC267110 |
0.6786 | Remote Similarity | NPC475931 |
0.6744 | Remote Similarity | NPC79544 |
0.6731 | Remote Similarity | NPC151919 |
0.6727 | Remote Similarity | NPC71755 |
0.6724 | Remote Similarity | NPC174956 |
0.6667 | Remote Similarity | NPC304079 |
0.6667 | Remote Similarity | NPC298299 |
0.6667 | Remote Similarity | NPC328784 |
0.6667 | Remote Similarity | NPC148163 |
0.6667 | Remote Similarity | NPC131623 |
0.6667 | Remote Similarity | NPC182102 |
0.6667 | Remote Similarity | NPC281590 |
0.6667 | Remote Similarity | NPC240506 |
0.6667 | Remote Similarity | NPC469694 |
0.6667 | Remote Similarity | NPC66020 |
0.6667 | Remote Similarity | NPC6963 |
0.6667 | Remote Similarity | NPC148216 |
0.6667 | Remote Similarity | NPC130209 |
0.6667 | Remote Similarity | NPC258788 |
0.6667 | Remote Similarity | NPC291437 |
0.6667 | Remote Similarity | NPC26960 |
0.661 | Remote Similarity | NPC300593 |
0.6607 | Remote Similarity | NPC155025 |
0.6607 | Remote Similarity | NPC226848 |
0.6604 | Remote Similarity | NPC474496 |
0.6604 | Remote Similarity | NPC217188 |
0.6596 | Remote Similarity | NPC249801 |
0.6596 | Remote Similarity | NPC304151 |
0.6596 | Remote Similarity | NPC206906 |
0.6596 | Remote Similarity | NPC46248 |
0.6591 | Remote Similarity | NPC185839 |
0.6585 | Remote Similarity | NPC66577 |
0.6552 | Remote Similarity | NPC225342 |
0.6552 | Remote Similarity | NPC64985 |
0.6552 | Remote Similarity | NPC321867 |
0.6552 | Remote Similarity | NPC210346 |
0.6552 | Remote Similarity | NPC207007 |
0.6552 | Remote Similarity | NPC68679 |
0.6545 | Remote Similarity | NPC274396 |
0.6538 | Remote Similarity | NPC71053 |
0.6538 | Remote Similarity | NPC59408 |
0.6538 | Remote Similarity | NPC151782 |
0.6538 | Remote Similarity | NPC48162 |
0.6512 | Remote Similarity | NPC58957 |
0.65 | Remote Similarity | NPC138113 |
0.65 | Remote Similarity | NPC308844 |
0.6491 | Remote Similarity | NPC122239 |
0.6471 | Remote Similarity | NPC153538 |
0.6458 | Remote Similarity | NPC269862 |
0.6458 | Remote Similarity | NPC216921 |
0.6458 | Remote Similarity | NPC252978 |
0.6444 | Remote Similarity | NPC180840 |
0.6441 | Remote Similarity | NPC81615 |
0.6441 | Remote Similarity | NPC190049 |
0.6441 | Remote Similarity | NPC474480 |
0.6429 | Remote Similarity | NPC52012 |
0.6429 | Remote Similarity | NPC278550 |
0.6429 | Remote Similarity | NPC213749 |
0.64 | Remote Similarity | NPC19834 |
0.64 | Remote Similarity | NPC308331 |
0.64 | Remote Similarity | NPC55063 |
0.6393 | Remote Similarity | NPC267027 |
0.6393 | Remote Similarity | NPC279434 |
0.6379 | Remote Similarity | NPC99487 |
0.6379 | Remote Similarity | NPC471081 |
0.6379 | Remote Similarity | NPC323153 |
0.6379 | Remote Similarity | NPC176621 |
0.6364 | Remote Similarity | NPC38497 |
0.6364 | Remote Similarity | NPC218525 |
0.6364 | Remote Similarity | NPC282119 |
0.6364 | Remote Similarity | NPC474644 |
0.6346 | Remote Similarity | NPC221467 |
0.6346 | Remote Similarity | NPC20934 |
0.6346 | Remote Similarity | NPC225974 |
0.6346 | Remote Similarity | NPC288381 |
0.6346 | Remote Similarity | NPC72699 |
0.6341 | Remote Similarity | NPC60288 |
0.6327 | Remote Similarity | NPC108195 |
0.6327 | Remote Similarity | NPC101616 |
0.6296 | Remote Similarity | NPC165755 |
0.629 | Remote Similarity | NPC73603 |
0.6279 | Remote Similarity | NPC250734 |
0.6279 | Remote Similarity | NPC81989 |
0.6275 | Remote Similarity | NPC100445 |
0.6271 | Remote Similarity | NPC469728 |
0.625 | Remote Similarity | NPC55412 |
0.625 | Remote Similarity | NPC473865 |
0.625 | Remote Similarity | NPC474643 |
0.625 | Remote Similarity | NPC4881 |
0.625 | Remote Similarity | NPC249645 |
0.6226 | Remote Similarity | NPC93639 |
0.6226 | Remote Similarity | NPC178586 |
0.6207 | Remote Similarity | NPC5698 |
0.6207 | Remote Similarity | NPC278202 |
0.6207 | Remote Similarity | NPC469321 |
0.62 | Remote Similarity | NPC117572 |
0.62 | Remote Similarity | NPC269074 |
0.62 | Remote Similarity | NPC276825 |
0.62 | Remote Similarity | NPC76976 |
0.6182 | Remote Similarity | NPC189677 |
0.6182 | Remote Similarity | NPC256209 |
0.6182 | Remote Similarity | NPC49059 |
0.6182 | Remote Similarity | NPC110732 |
0.6167 | Remote Similarity | NPC473759 |
0.6167 | Remote Similarity | NPC473508 |
0.6167 | Remote Similarity | NPC474155 |
0.6154 | Remote Similarity | NPC85079 |
0.6154 | Remote Similarity | NPC248884 |
0.6154 | Remote Similarity | NPC31194 |
0.6154 | Remote Similarity | NPC302310 |
0.614 | Remote Similarity | NPC268185 |
0.6122 | Remote Similarity | NPC106819 |
0.6122 | Remote Similarity | NPC270796 |
0.6102 | Remote Similarity | NPC252809 |
0.6102 | Remote Similarity | NPC135648 |
0.6098 | Remote Similarity | NPC115959 |
0.6098 | Remote Similarity | NPC123965 |
0.6094 | Remote Similarity | NPC136473 |
0.6087 | Remote Similarity | NPC92863 |
0.6087 | Remote Similarity | NPC155880 |
0.6087 | Remote Similarity | NPC48638 |
0.6087 | Remote Similarity | NPC45727 |
0.6078 | Remote Similarity | NPC35141 |
0.6078 | Remote Similarity | NPC124183 |
0.6078 | Remote Similarity | NPC8610 |
0.6078 | Remote Similarity | NPC180575 |
0.6078 | Remote Similarity | NPC262558 |
0.6071 | Remote Similarity | NPC297280 |
0.6071 | Remote Similarity | NPC317899 |
0.6071 | Remote Similarity | NPC67367 |
0.6066 | Remote Similarity | NPC309300 |
0.6066 | Remote Similarity | NPC110241 |
0.6047 | Remote Similarity | NPC63121 |
0.6047 | Remote Similarity | NPC197356 |
0.6042 | Remote Similarity | NPC469713 |
0.6038 | Remote Similarity | NPC118788 |
0.6038 | Remote Similarity | NPC474642 |
0.6038 | Remote Similarity | NPC249670 |
0.6038 | Remote Similarity | NPC473913 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC108494 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 |
---|---|---|---|
0.7234 | Intermediate Similarity | NPD4265 | Approved |
0.6667 | Remote Similarity | NPD342 | Phase 1 |
0.6552 | Remote Similarity | NPD368 | Approved |
0.6471 | Remote Similarity | NPD4220 | Pre-registration |
0.6304 | Remote Similarity | NPD5783 | Phase 3 |
0.625 | Remote Similarity | NPD4219 | Approved |
0.62 | Remote Similarity | NPD4222 | Approved |
0.62 | Remote Similarity | NPD39 | Approved |
0.6122 | Remote Similarity | NPD5326 | Phase 3 |
0.6042 | Remote Similarity | NPD9301 | Approved |
0.6042 | Remote Similarity | NPD9300 | Approved |
0.5893 | Remote Similarity | NPD539 | Approved |
0.587 | Remote Similarity | NPD319 | Phase 1 |
0.5849 | Remote Similarity | NPD3173 | Approved |
0.5821 | Remote Similarity | NPD4732 | Discontinued |
0.5763 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.5738 | Remote Similarity | NPD4191 | Approved |
0.5738 | Remote Similarity | NPD4193 | Approved |
0.5738 | Remote Similarity | NPD4194 | Approved |
0.5738 | Remote Similarity | NPD4192 | Approved |
0.5625 | Remote Similarity | NPD7331 | Phase 2 |
PubChem CID   | 5320128 |
ChEMBL   | CHEMBL3185053 |
ZINC   |
Molecular Weight:   | 222.20 |
ALogP:   | 3.7014 |
MLogP:   | 3 |
XLogP:   | 4.29 |
# Rotatable Bonds:   | 12 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 16 |