Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO29641 | Rhododendri daurici folium | NA | NA | NA | TCMSP* | |||
NPO10766 | Alpiniae officinarum rhizome | NA | NA | NA | TCMSP* | |||
NPO29723 | Solidaginis herba | NA | NA | NA | TCMSP* | |||
NPO3064 | Alpiniae oxyphyliae fructus | NA | NA | NA | TCMSP* | |||
NPO8455 | Magnolia officinalis rehd et wils | Species | Magnoliaceae | Eukaryota | TCMSP* | |||
NPO1736 | Stephaniae tetrandrae radix | NA | NA | NA | TCMSP* | |||
NPO29589 | Linderae radix | NA | NA | NA | TCMSP* | |||
NPO12588 | Cornus officinalis | Species | Cornaceae | Eukaryota | TCMSP* | |||
NPO29039 | Lignum pini nodi | NA | NA | NA | TCMSP* | |||
NPO4750 | Meliae azedarach fructus | NA | NA | NA | TCMSP* | |||
NPO29463 | Pogostemon cablin | Species | Lamiaceae | Eukaryota | TCMSP* | |||
NPO29556 | Piperis longi fructus | NA | NA | NA | TCMSP* | |||
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO20440 | Chrysanthemum x morifolium | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO17295 | Chrysanthemum zawadskii | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO15730 | Citrus medica | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO22796 | Cyperus rotundus | Species | Cyperaceae | Eukaryota | TM-MC* | |||
NPO16845 | Euodia bodinieri | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO4877 | Euodia officinalis | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO8314 | Euodia ruticarpa | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO19935 | Tetradium ruticarpum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO29016 | Valeriana jatamansi | Species | Caprifoliaceae | Eukaryota | TM-MC* | |||
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO3987 | Syzygium aromaticum | Species | Myrtaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 34665.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 54941 | nM | PubChem BioAssay data set | ||
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 54482.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 218.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 68589.6 | nM | PubChem BioAssay data set | ||
NPT162 | Individual Protein | Heat shock protein beta-1 | Homo sapiens | Potency | 30895.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 48966.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 61644.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 27306 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 15355.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 15.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 38895.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 43641.2 | 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 NPC86683 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 |
---|---|---|
0.9333 | High Similarity | NPC17518 |
0.907 | High Similarity | NPC192529 |
0.8913 | High Similarity | NPC22765 |
0.8864 | High Similarity | NPC202189 |
0.8696 | High Similarity | NPC124851 |
0.8667 | High Similarity | NPC241784 |
0.8667 | High Similarity | NPC13991 |
0.8667 | High Similarity | NPC114239 |
0.8667 | High Similarity | NPC296337 |
0.8605 | High Similarity | NPC103290 |
0.8444 | Intermediate Similarity | NPC248411 |
0.8409 | Intermediate Similarity | NPC193180 |
0.8409 | Intermediate Similarity | NPC105246 |
0.8409 | Intermediate Similarity | NPC190232 |
0.8235 | Intermediate Similarity | NPC469770 |
0.8 | Intermediate Similarity | NPC473728 |
0.8 | Intermediate Similarity | NPC177470 |
0.7959 | Intermediate Similarity | NPC200129 |
0.7955 | Intermediate Similarity | NPC62086 |
0.7955 | Intermediate Similarity | NPC227632 |
0.7955 | Intermediate Similarity | NPC78551 |
0.7925 | Intermediate Similarity | NPC474415 |
0.7925 | Intermediate Similarity | NPC475696 |
0.7925 | Intermediate Similarity | NPC474528 |
0.7907 | Intermediate Similarity | NPC139717 |
0.7907 | Intermediate Similarity | NPC297643 |
0.7907 | Intermediate Similarity | NPC229262 |
0.7885 | Intermediate Similarity | NPC123194 |
0.7826 | Intermediate Similarity | NPC60556 |
0.7826 | Intermediate Similarity | NPC86538 |
0.7826 | Intermediate Similarity | NPC109813 |
0.7778 | Intermediate Similarity | NPC469769 |
0.7778 | Intermediate Similarity | NPC144023 |
0.7755 | Intermediate Similarity | NPC17810 |
0.7674 | Intermediate Similarity | NPC190810 |
0.7674 | Intermediate Similarity | NPC76145 |
0.7674 | Intermediate Similarity | NPC34764 |
0.7636 | Intermediate Similarity | NPC474454 |
0.7636 | Intermediate Similarity | NPC474455 |
0.7636 | Intermediate Similarity | NPC475716 |
0.7636 | Intermediate Similarity | NPC474420 |
0.7593 | Intermediate Similarity | NPC474457 |
0.7556 | Intermediate Similarity | NPC183670 |
0.7547 | Intermediate Similarity | NPC470893 |
0.75 | Intermediate Similarity | NPC311809 |
0.75 | Intermediate Similarity | NPC127582 |
0.75 | Intermediate Similarity | NPC49088 |
0.75 | Intermediate Similarity | NPC239039 |
0.7455 | Intermediate Similarity | NPC60772 |
0.7368 | Intermediate Similarity | NPC469728 |
0.7347 | Intermediate Similarity | NPC323445 |
0.7273 | Intermediate Similarity | NPC470369 |
0.7273 | Intermediate Similarity | NPC470370 |
0.7273 | Intermediate Similarity | NPC11130 |
0.7255 | Intermediate Similarity | NPC476681 |
0.7241 | Intermediate Similarity | NPC202118 |
0.7241 | Intermediate Similarity | NPC197238 |
0.7234 | Intermediate Similarity | NPC473912 |
0.717 | Intermediate Similarity | NPC14002 |
0.717 | Intermediate Similarity | NPC23117 |
0.7143 | Intermediate Similarity | NPC213749 |
0.7119 | Intermediate Similarity | NPC285371 |
0.7119 | Intermediate Similarity | NPC475124 |
0.7119 | Intermediate Similarity | NPC469662 |
0.7111 | Intermediate Similarity | NPC48638 |
0.7111 | Intermediate Similarity | NPC45727 |
0.7083 | Intermediate Similarity | NPC141777 |
0.7083 | Intermediate Similarity | NPC166362 |
0.7083 | Intermediate Similarity | NPC227670 |
0.7045 | Intermediate Similarity | NPC92224 |
0.7037 | Intermediate Similarity | NPC5626 |
0.7021 | Intermediate Similarity | NPC120926 |
0.7021 | Intermediate Similarity | NPC218918 |
0.7018 | Intermediate Similarity | NPC276764 |
0.7018 | Intermediate Similarity | NPC472304 |
0.7018 | Intermediate Similarity | NPC309825 |
0.6949 | Remote Similarity | NPC81615 |
0.6949 | Remote Similarity | NPC474086 |
0.6905 | Remote Similarity | NPC3649 |
0.6897 | Remote Similarity | NPC176621 |
0.6897 | Remote Similarity | NPC135648 |
0.6885 | Remote Similarity | NPC242945 |
0.6885 | Remote Similarity | NPC92327 |
0.6885 | Remote Similarity | NPC222366 |
0.6885 | Remote Similarity | NPC259156 |
0.6885 | Remote Similarity | NPC286669 |
0.6885 | Remote Similarity | NPC176171 |
0.6885 | Remote Similarity | NPC279434 |
0.6885 | Remote Similarity | NPC476039 |
0.6863 | Remote Similarity | NPC178644 |
0.6852 | Remote Similarity | NPC127944 |
0.6852 | Remote Similarity | NPC476679 |
0.6852 | Remote Similarity | NPC474416 |
0.6842 | Remote Similarity | NPC56905 |
0.6842 | Remote Similarity | NPC27610 |
0.6833 | Remote Similarity | NPC169275 |
0.6833 | Remote Similarity | NPC52449 |
0.6809 | Remote Similarity | NPC246165 |
0.68 | Remote Similarity | NPC229403 |
0.6786 | Remote Similarity | NPC179024 |
0.678 | Remote Similarity | NPC194208 |
0.678 | Remote Similarity | NPC282694 |
0.678 | Remote Similarity | NPC60565 |
0.678 | Remote Similarity | NPC79576 |
0.678 | Remote Similarity | NPC213152 |
0.678 | Remote Similarity | NPC219621 |
0.6774 | Remote Similarity | NPC4370 |
0.6774 | Remote Similarity | NPC193770 |
0.6774 | Remote Similarity | NPC197805 |
0.6774 | Remote Similarity | NPC176107 |
0.6774 | Remote Similarity | NPC171225 |
0.6774 | Remote Similarity | NPC290350 |
0.6739 | Remote Similarity | NPC266298 |
0.6727 | Remote Similarity | NPC476683 |
0.6724 | Remote Similarity | NPC472827 |
0.6721 | Remote Similarity | NPC268039 |
0.6721 | Remote Similarity | NPC107258 |
0.6721 | Remote Similarity | NPC163678 |
0.6667 | Remote Similarity | NPC20610 |
0.6667 | Remote Similarity | NPC208999 |
0.6667 | Remote Similarity | NPC155198 |
0.6667 | Remote Similarity | NPC288253 |
0.6667 | Remote Similarity | NPC181255 |
0.6667 | Remote Similarity | NPC157781 |
0.6667 | Remote Similarity | NPC35519 |
0.6667 | Remote Similarity | NPC188292 |
0.6667 | Remote Similarity | NPC174956 |
0.6667 | Remote Similarity | NPC39157 |
0.6667 | Remote Similarity | NPC306195 |
0.6667 | Remote Similarity | NPC260474 |
0.6667 | Remote Similarity | NPC296697 |
0.6667 | Remote Similarity | NPC476945 |
0.6667 | Remote Similarity | NPC142754 |
0.6667 | Remote Similarity | NPC145715 |
0.6667 | Remote Similarity | NPC179169 |
0.6667 | Remote Similarity | NPC283247 |
0.6667 | Remote Similarity | NPC82477 |
0.6667 | Remote Similarity | NPC310992 |
0.6667 | Remote Similarity | NPC216460 |
0.6667 | Remote Similarity | NPC282119 |
0.6613 | Remote Similarity | NPC323005 |
0.6613 | Remote Similarity | NPC149680 |
0.6613 | Remote Similarity | NPC185587 |
0.661 | Remote Similarity | NPC317778 |
0.6607 | Remote Similarity | NPC200258 |
0.6562 | Remote Similarity | NPC138409 |
0.6562 | Remote Similarity | NPC474248 |
0.6562 | Remote Similarity | NPC182815 |
0.6562 | Remote Similarity | NPC184919 |
0.6562 | Remote Similarity | NPC139397 |
0.6562 | Remote Similarity | NPC286814 |
0.6557 | Remote Similarity | NPC473959 |
0.6557 | Remote Similarity | NPC290367 |
0.6557 | Remote Similarity | NPC6697 |
0.6557 | Remote Similarity | NPC212210 |
0.6557 | Remote Similarity | NPC329698 |
0.6552 | Remote Similarity | NPC308108 |
0.6552 | Remote Similarity | NPC311852 |
0.6552 | Remote Similarity | NPC170799 |
0.6545 | Remote Similarity | NPC69898 |
0.6545 | Remote Similarity | NPC295777 |
0.6512 | Remote Similarity | NPC66577 |
0.6512 | Remote Similarity | NPC206088 |
0.6508 | Remote Similarity | NPC69649 |
0.6508 | Remote Similarity | NPC68703 |
0.6508 | Remote Similarity | NPC220210 |
0.6508 | Remote Similarity | NPC20181 |
0.6491 | Remote Similarity | NPC55412 |
0.6491 | Remote Similarity | NPC39068 |
0.6491 | Remote Similarity | NPC264779 |
0.6491 | Remote Similarity | NPC249645 |
0.6481 | Remote Similarity | NPC26906 |
0.6481 | Remote Similarity | NPC236623 |
0.6481 | Remote Similarity | NPC214584 |
0.6462 | Remote Similarity | NPC145498 |
0.6462 | Remote Similarity | NPC307176 |
0.6462 | Remote Similarity | NPC34834 |
0.6462 | Remote Similarity | NPC159577 |
0.6462 | Remote Similarity | NPC265782 |
0.6462 | Remote Similarity | NPC2634 |
0.6462 | Remote Similarity | NPC475728 |
0.6462 | Remote Similarity | NPC92801 |
0.6462 | Remote Similarity | NPC35734 |
0.6462 | Remote Similarity | NPC251929 |
0.6462 | Remote Similarity | NPC282593 |
0.6462 | Remote Similarity | NPC260040 |
0.6452 | Remote Similarity | NPC251118 |
0.6406 | Remote Similarity | NPC87141 |
0.6406 | Remote Similarity | NPC96484 |
0.6406 | Remote Similarity | NPC94192 |
0.6406 | Remote Similarity | NPC160209 |
0.6406 | Remote Similarity | NPC32055 |
0.64 | Remote Similarity | NPC51762 |
0.64 | Remote Similarity | NPC90506 |
0.64 | Remote Similarity | NPC90803 |
0.64 | Remote Similarity | NPC474118 |
0.64 | Remote Similarity | NPC23145 |
0.6379 | Remote Similarity | NPC208749 |
0.6379 | Remote Similarity | NPC321568 |
0.6379 | Remote Similarity | NPC22019 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC86683 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 |
---|---|---|---|
0.8409 | Intermediate Similarity | NPD1799 | Clinical (unspecified phase) |
0.7755 | Intermediate Similarity | NPD8262 | Approved |
0.7674 | Intermediate Similarity | NPD319 | Phase 1 |
0.6667 | Remote Similarity | NPD3621 | Clinical (unspecified phase) |
0.6562 | Remote Similarity | NPD4137 | Phase 3 |
0.6552 | Remote Similarity | NPD287 | Approved |
0.6491 | Remote Similarity | NPD4219 | Approved |
0.6462 | Remote Similarity | NPD6938 | Clinical (unspecified phase) |
0.6462 | Remote Similarity | NPD6939 | Phase 2 |
0.6462 | Remote Similarity | NPD4691 | Approved |
0.6462 | Remote Similarity | NPD4747 | Approved |
0.6364 | Remote Similarity | NPD5276 | Approved |
0.6364 | Remote Similarity | NPD4243 | Approved |
0.6176 | Remote Similarity | NPD4058 | Approved |
0.6176 | Remote Similarity | NPD4785 | Approved |
0.6176 | Remote Similarity | NPD4784 | Approved |
0.6176 | Remote Similarity | NPD4687 | Approved |
0.6176 | Remote Similarity | NPD5733 | Approved |
0.6087 | Remote Similarity | NPD5275 | Approved |
0.6087 | Remote Similarity | NPD6942 | Approved |
0.6087 | Remote Similarity | NPD7339 | Approved |
0.6087 | Remote Similarity | NPD4190 | Phase 3 |
0.6061 | Remote Similarity | NPD6923 | Approved |
0.6061 | Remote Similarity | NPD6922 | Approved |
0.6 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.597 | Remote Similarity | NPD7144 | Approved |
0.597 | Remote Similarity | NPD7143 | Approved |
0.5968 | Remote Similarity | NPD4192 | Approved |
0.5968 | Remote Similarity | NPD4191 | Approved |
0.5968 | Remote Similarity | NPD4194 | Approved |
0.5968 | Remote Similarity | NPD4193 | Approved |
0.5882 | Remote Similarity | NPD7152 | Approved |
0.5882 | Remote Similarity | NPD7150 | Approved |
0.5882 | Remote Similarity | NPD7151 | Approved |
0.5857 | Remote Similarity | NPD8264 | Approved |
0.5781 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5753 | Remote Similarity | NPD7645 | Phase 2 |
0.5753 | Remote Similarity | NPD4195 | Approved |
0.5714 | Remote Similarity | NPD6926 | Approved |
0.5714 | Remote Similarity | NPD6924 | Approved |
0.5676 | Remote Similarity | NPD4695 | Discontinued |
PubChem CID   | 9855795 |
ChEMBL   | CHEMBL3186909 |
ZINC   |
Molecular Weight:   | 204.19 |
ALogP:   | 2.676 |
MLogP:   | 3.11 |
XLogP:   | 5.846 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 0 |
# H-Bond Aceptor:   | 0 |
# H-Bond Donor:   | 0 |
# Rings:   | 2 |
# Heavy Atoms:   | 15 |