Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO18951 | Ligusticum sinense | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO29110 | Litsea cubeba | Species | Lauraceae | Eukaryota | TM-MC* | |||
NPO11169 | Piper cubeba | Species | Piperaceae | Eukaryota | TM-MC* | |||
NPO21771 | Citrus trifoliata | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO12935 | Thymus quinquecostatus | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO19472 | Thymus vulgaris | 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* | |||
NPO1484 | Bupleurum scorzonerifolium | Species | Apiaceae | Eukaryota | TCMID* | |||
NPO18176 | Ephedra sinica | Species | Ephedraceae | Eukaryota | TCMID* | |||
NPO26138 | Rosmarinus officinalis | Species | Lamiaceae | Eukaryota | TCMID* | |||
NPO24267 | Paeonia veitchii | Species | Paeoniaceae | Eukaryota | TCMID* | |||
NPO15388 | Eucalyptus globulus | Species | Myrtaceae | Eukaryota | Whole Plants |
PMID[23678820] |
||
NPO31499 | Amomum cannicarpum | Species | Zingiberaceae | Eukaryota | Rhizomes |
PMID[16714091] |
||
NPO6316 | Abies balsamea | Species | Pinaceae | Eukaryota | Whole Plants | Journal of essential oil research,1994,6: 229-238 | ||
NPO1479 | Amomum longiligulare | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO11820 | Amomum villosum | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO1631 | Amomum xanthioides | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO20440 | Chrysanthemum x morifolium | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO7317 | Citrus aurantium | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO5270 | Citrus natsudaidai | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO25443 | Citrus reticulata | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO19787 | Citrus sinensis | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO10082 | Citrus unshiu | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO22033 | Cnidium officinale | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO7698 | Elettaria cardamomum | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO1436 | Houttuynia cordata | Species | Saururaceae | Eukaryota | TM-MC* | |||
NPO23548 | Leonurus japonicus | Species | Lamiaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | 21872.4 | 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 NPC100445 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 |
---|---|---|
0.84 | Intermediate Similarity | NPC179169 |
0.84 | Intermediate Similarity | NPC181255 |
0.84 | Intermediate Similarity | NPC157781 |
0.84 | Intermediate Similarity | NPC306195 |
0.84 | Intermediate Similarity | NPC35519 |
0.82 | Intermediate Similarity | NPC214584 |
0.82 | Intermediate Similarity | NPC26906 |
0.8113 | Intermediate Similarity | NPC39068 |
0.8113 | Intermediate Similarity | NPC264779 |
0.8039 | Intermediate Similarity | NPC71506 |
0.8039 | Intermediate Similarity | NPC177112 |
0.7925 | Intermediate Similarity | NPC67508 |
0.7925 | Intermediate Similarity | NPC84824 |
0.7917 | Intermediate Similarity | NPC87439 |
0.7872 | Intermediate Similarity | NPC15162 |
0.7857 | Intermediate Similarity | NPC240506 |
0.7818 | Intermediate Similarity | NPC474769 |
0.7818 | Intermediate Similarity | NPC189290 |
0.7719 | Intermediate Similarity | NPC79576 |
0.7719 | Intermediate Similarity | NPC282694 |
0.7719 | Intermediate Similarity | NPC194208 |
0.7647 | Intermediate Similarity | NPC329773 |
0.7455 | Intermediate Similarity | NPC179024 |
0.7455 | Intermediate Similarity | NPC210316 |
0.7333 | Intermediate Similarity | NPC64123 |
0.7308 | Intermediate Similarity | NPC131623 |
0.7288 | Intermediate Similarity | NPC174956 |
0.7273 | Intermediate Similarity | NPC218525 |
0.72 | Intermediate Similarity | NPC108441 |
0.72 | Intermediate Similarity | NPC77550 |
0.717 | Intermediate Similarity | NPC251335 |
0.7167 | Intermediate Similarity | NPC101128 |
0.7167 | Intermediate Similarity | NPC68656 |
0.7119 | Intermediate Similarity | NPC41160 |
0.7111 | Intermediate Similarity | NPC328441 |
0.7097 | Intermediate Similarity | NPC139207 |
0.7097 | Intermediate Similarity | NPC253303 |
0.7097 | Intermediate Similarity | NPC185874 |
0.7097 | Intermediate Similarity | NPC269077 |
0.7083 | Intermediate Similarity | NPC188596 |
0.7049 | Intermediate Similarity | NPC258595 |
0.7037 | Intermediate Similarity | NPC294358 |
0.7037 | Intermediate Similarity | NPC40417 |
0.7018 | Intermediate Similarity | NPC278550 |
0.7 | Intermediate Similarity | NPC81615 |
0.6984 | Remote Similarity | NPC94192 |
0.6984 | Remote Similarity | NPC245795 |
0.6984 | Remote Similarity | NPC276616 |
0.6984 | Remote Similarity | NPC244790 |
0.6949 | Remote Similarity | NPC66020 |
0.6949 | Remote Similarity | NPC135648 |
0.6935 | Remote Similarity | NPC279434 |
0.6935 | Remote Similarity | NPC473929 |
0.6935 | Remote Similarity | NPC103734 |
0.6935 | Remote Similarity | NPC475897 |
0.6909 | Remote Similarity | NPC192962 |
0.6885 | Remote Similarity | NPC323424 |
0.6885 | Remote Similarity | NPC219940 |
0.6885 | Remote Similarity | NPC144650 |
0.6885 | Remote Similarity | NPC96793 |
0.6875 | Remote Similarity | NPC476431 |
0.6863 | Remote Similarity | NPC165651 |
0.6863 | Remote Similarity | NPC210560 |
0.6863 | Remote Similarity | NPC24824 |
0.6842 | Remote Similarity | NPC24443 |
0.6842 | Remote Similarity | NPC274396 |
0.6833 | Remote Similarity | NPC207007 |
0.6833 | Remote Similarity | NPC68679 |
0.6833 | Remote Similarity | NPC147524 |
0.6833 | Remote Similarity | NPC321867 |
0.68 | Remote Similarity | NPC144891 |
0.6792 | Remote Similarity | NPC316035 |
0.6786 | Remote Similarity | NPC286752 |
0.678 | Remote Similarity | NPC5698 |
0.678 | Remote Similarity | NPC310228 |
0.678 | Remote Similarity | NPC52431 |
0.678 | Remote Similarity | NPC99480 |
0.678 | Remote Similarity | NPC184049 |
0.678 | Remote Similarity | NPC469321 |
0.6774 | Remote Similarity | NPC11555 |
0.6774 | Remote Similarity | NPC172613 |
0.6774 | Remote Similarity | NPC60837 |
0.6774 | Remote Similarity | NPC471200 |
0.6774 | Remote Similarity | NPC2728 |
0.6774 | Remote Similarity | NPC208198 |
0.6774 | Remote Similarity | NPC282619 |
0.6769 | Remote Similarity | NPC163020 |
0.6727 | Remote Similarity | NPC68014 |
0.6719 | Remote Similarity | NPC96484 |
0.6719 | Remote Similarity | NPC208999 |
0.6719 | Remote Similarity | NPC266578 |
0.6667 | Remote Similarity | NPC167706 |
0.6667 | Remote Similarity | NPC251666 |
0.6667 | Remote Similarity | NPC148163 |
0.6667 | Remote Similarity | NPC323153 |
0.6667 | Remote Similarity | NPC164022 |
0.6667 | Remote Similarity | NPC23954 |
0.6667 | Remote Similarity | NPC476406 |
0.6667 | Remote Similarity | NPC252809 |
0.6667 | Remote Similarity | NPC40206 |
0.6667 | Remote Similarity | NPC148216 |
0.6667 | Remote Similarity | NPC130209 |
0.6667 | Remote Similarity | NPC202017 |
0.6667 | Remote Similarity | NPC242992 |
0.6667 | Remote Similarity | NPC232247 |
0.6615 | Remote Similarity | NPC234511 |
0.6615 | Remote Similarity | NPC9942 |
0.6613 | Remote Similarity | NPC234767 |
0.6613 | Remote Similarity | NPC225415 |
0.6613 | Remote Similarity | NPC290367 |
0.661 | Remote Similarity | NPC475830 |
0.661 | Remote Similarity | NPC240206 |
0.6567 | Remote Similarity | NPC95165 |
0.6567 | Remote Similarity | NPC265485 |
0.6567 | Remote Similarity | NPC220939 |
0.6562 | Remote Similarity | NPC117607 |
0.6562 | Remote Similarity | NPC101307 |
0.6562 | Remote Similarity | NPC88454 |
0.6562 | Remote Similarity | NPC263161 |
0.6562 | Remote Similarity | NPC74885 |
0.6562 | Remote Similarity | NPC82337 |
0.6562 | Remote Similarity | NPC308522 |
0.6557 | Remote Similarity | NPC15152 |
0.6557 | Remote Similarity | NPC210346 |
0.6557 | Remote Similarity | NPC63111 |
0.6557 | Remote Similarity | NPC475251 |
0.6552 | Remote Similarity | NPC141699 |
0.6545 | Remote Similarity | NPC244038 |
0.6515 | Remote Similarity | NPC92801 |
0.6515 | Remote Similarity | NPC45296 |
0.6515 | Remote Similarity | NPC475728 |
0.6515 | Remote Similarity | NPC283316 |
0.6508 | Remote Similarity | NPC476737 |
0.6508 | Remote Similarity | NPC27243 |
0.6508 | Remote Similarity | NPC300442 |
0.65 | Remote Similarity | NPC122239 |
0.65 | Remote Similarity | NPC475931 |
0.6471 | Remote Similarity | NPC71152 |
0.6471 | Remote Similarity | NPC476736 |
0.6471 | Remote Similarity | NPC476366 |
0.6471 | Remote Similarity | NPC201048 |
0.6462 | Remote Similarity | NPC2648 |
0.6452 | Remote Similarity | NPC50435 |
0.6452 | Remote Similarity | NPC474480 |
0.6441 | Remote Similarity | NPC165808 |
0.6418 | Remote Similarity | NPC111234 |
0.6418 | Remote Similarity | NPC301226 |
0.6418 | Remote Similarity | NPC84790 |
0.6415 | Remote Similarity | NPC287550 |
0.6415 | Remote Similarity | NPC198540 |
0.6415 | Remote Similarity | NPC84030 |
0.6415 | Remote Similarity | NPC176309 |
0.6415 | Remote Similarity | NPC223468 |
0.6415 | Remote Similarity | NPC14552 |
0.6415 | Remote Similarity | NPC147343 |
0.6406 | Remote Similarity | NPC222366 |
0.6406 | Remote Similarity | NPC476039 |
0.6406 | Remote Similarity | NPC250977 |
0.6406 | Remote Similarity | NPC286669 |
0.6406 | Remote Similarity | NPC267027 |
0.6406 | Remote Similarity | NPC326310 |
0.6393 | Remote Similarity | NPC176621 |
0.6379 | Remote Similarity | NPC281590 |
0.6379 | Remote Similarity | NPC227135 |
0.6379 | Remote Similarity | NPC223604 |
0.6377 | Remote Similarity | NPC3403 |
0.6364 | Remote Similarity | NPC474248 |
0.6364 | Remote Similarity | NPC142103 |
0.6364 | Remote Similarity | NPC210323 |
0.6364 | Remote Similarity | NPC476604 |
0.6349 | Remote Similarity | NPC300593 |
0.6346 | Remote Similarity | NPC313795 |
0.6333 | Remote Similarity | NPC155025 |
0.6324 | Remote Similarity | NPC211009 |
0.6324 | Remote Similarity | NPC471799 |
0.6324 | Remote Similarity | NPC195489 |
0.6324 | Remote Similarity | NPC182717 |
0.6308 | Remote Similarity | NPC114651 |
0.6308 | Remote Similarity | NPC197805 |
0.6308 | Remote Similarity | NPC171225 |
0.629 | Remote Similarity | NPC469728 |
0.629 | Remote Similarity | NPC274704 |
0.629 | Remote Similarity | NPC225342 |
0.6286 | Remote Similarity | NPC265588 |
0.6286 | Remote Similarity | NPC76966 |
0.6286 | Remote Similarity | NPC91573 |
0.6286 | Remote Similarity | NPC470766 |
0.6286 | Remote Similarity | NPC7629 |
0.6286 | Remote Similarity | NPC78935 |
0.6286 | Remote Similarity | NPC472305 |
0.6286 | Remote Similarity | NPC151622 |
0.6286 | Remote Similarity | NPC63958 |
0.6286 | Remote Similarity | NPC30575 |
0.6286 | Remote Similarity | NPC470749 |
0.6286 | Remote Similarity | NPC186554 |
0.6275 | Remote Similarity | NPC180871 |
0.6275 | Remote Similarity | NPC88079 |
0.6275 | Remote Similarity | NPC194586 |
0.6275 | Remote Similarity | NPC105246 |
0.6275 | Remote Similarity | NPC193180 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC100445 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 |
---|---|---|---|
0.72 | Intermediate Similarity | NPD388 | Approved |
0.72 | Intermediate Similarity | NPD386 | Approved |
0.6949 | Remote Similarity | NPD1145 | Discontinued |
0.6833 | Remote Similarity | NPD368 | Approved |
0.6667 | Remote Similarity | NPD342 | Phase 1 |
0.6418 | Remote Similarity | NPD4243 | Approved |
0.6415 | Remote Similarity | NPD384 | Approved |
0.6415 | Remote Similarity | NPD385 | Approved |
0.6275 | Remote Similarity | NPD1799 | Clinical (unspecified phase) |
0.6232 | Remote Similarity | NPD4784 | Approved |
0.6232 | Remote Similarity | NPD4785 | Approved |
0.6182 | Remote Similarity | NPD9410 | Clinical (unspecified phase) |
0.6176 | Remote Similarity | NPD7151 | Approved |
0.6176 | Remote Similarity | NPD7152 | Approved |
0.6176 | Remote Similarity | NPD7150 | Approved |
0.6154 | Remote Similarity | NPD367 | Approved |
0.6154 | Remote Similarity | NPD7331 | Phase 2 |
0.6143 | Remote Similarity | NPD7339 | Approved |
0.6143 | Remote Similarity | NPD4190 | Phase 3 |
0.6143 | Remote Similarity | NPD6942 | Approved |
0.6143 | Remote Similarity | NPD5275 | Approved |
0.6119 | Remote Similarity | NPD6922 | Approved |
0.6119 | Remote Similarity | NPD6923 | Approved |
0.6056 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6029 | Remote Similarity | NPD7144 | Approved |
0.6029 | Remote Similarity | NPD7143 | Approved |
0.6 | Remote Similarity | NPD7341 | Phase 2 |
0.6 | Remote Similarity | NPD6926 | Approved |
0.6 | Remote Similarity | NPD6924 | Approved |
0.5946 | Remote Similarity | NPD7525 | Registered |
0.5918 | Remote Similarity | NPD319 | Phase 1 |
0.5833 | Remote Similarity | NPD6933 | Approved |
0.5811 | Remote Similarity | NPD4195 | Approved |
0.5811 | Remote Similarity | NPD7645 | Phase 2 |
0.5753 | Remote Similarity | NPD6932 | Approved |
0.5694 | Remote Similarity | NPD8264 | Approved |
0.5676 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD615 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD6683 | Phase 2 |
PubChem CID   | 8748 |
ChEMBL   | CHEMBL3184678 |
ZINC   |
Molecular Weight:   | 154.14 |
ALogP:   | 1.5645 |
MLogP:   | 2.45 |
XLogP:   | 2.515 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 11 |