Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO21355 | Elsholtzia ciliata | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO13879 | Humulus lupulus | Species | Cannabaceae | Eukaryota | TM-MC* | |||
NPO18046 | Mosla chinensis | Species | Lamiaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 66988.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 53673 | nM | PubChem BioAssay data set | ||
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | 21367.6 | 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 NPC227197 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 |
---|---|---|
0.9167 | High Similarity | NPC307594 |
0.875 | High Similarity | NPC91093 |
0.8696 | High Similarity | NPC83723 |
0.8462 | Intermediate Similarity | NPC100997 |
0.8261 | Intermediate Similarity | NPC141986 |
0.7917 | Intermediate Similarity | NPC32603 |
0.7917 | Intermediate Similarity | NPC222945 |
0.7826 | Intermediate Similarity | NPC147212 |
0.76 | Intermediate Similarity | NPC185768 |
0.76 | Intermediate Similarity | NPC33928 |
0.7586 | Intermediate Similarity | NPC321646 |
0.7419 | Intermediate Similarity | NPC248190 |
0.7391 | Intermediate Similarity | NPC211453 |
0.7308 | Intermediate Similarity | NPC30338 |
0.7188 | Intermediate Similarity | NPC121215 |
0.7037 | Intermediate Similarity | NPC304927 |
0.7037 | Intermediate Similarity | NPC289974 |
0.7037 | Intermediate Similarity | NPC66624 |
0.6923 | Remote Similarity | NPC254524 |
0.6897 | Remote Similarity | NPC287782 |
0.6786 | Remote Similarity | NPC79591 |
0.6774 | Remote Similarity | NPC228727 |
0.6774 | Remote Similarity | NPC280532 |
0.6667 | Remote Similarity | NPC171188 |
0.6571 | Remote Similarity | NPC223315 |
0.6562 | Remote Similarity | NPC94196 |
0.6429 | Remote Similarity | NPC129976 |
0.6364 | Remote Similarity | NPC307027 |
0.6333 | Remote Similarity | NPC295442 |
0.6296 | Remote Similarity | NPC133819 |
0.6216 | Remote Similarity | NPC135077 |
0.6216 | Remote Similarity | NPC45270 |
0.6216 | Remote Similarity | NPC59570 |
0.6216 | Remote Similarity | NPC215118 |
0.6176 | Remote Similarity | NPC218357 |
0.6129 | Remote Similarity | NPC122768 |
0.6129 | Remote Similarity | NPC151140 |
0.6129 | Remote Similarity | NPC222997 |
0.6129 | Remote Similarity | NPC42403 |
0.6129 | Remote Similarity | NPC29561 |
0.6129 | Remote Similarity | NPC4962 |
0.6129 | Remote Similarity | NPC79887 |
0.6129 | Remote Similarity | NPC221192 |
0.6129 | Remote Similarity | NPC196434 |
0.6129 | Remote Similarity | NPC104195 |
0.6129 | Remote Similarity | NPC61066 |
0.6129 | Remote Similarity | NPC153439 |
0.6111 | Remote Similarity | NPC38930 |
0.6087 | Remote Similarity | NPC200333 |
0.6071 | Remote Similarity | NPC164646 |
0.5946 | Remote Similarity | NPC141634 |
0.5938 | Remote Similarity | NPC21374 |
0.5938 | Remote Similarity | NPC168982 |
0.5926 | Remote Similarity | NPC37479 |
0.5897 | Remote Similarity | NPC18397 |
0.5806 | Remote Similarity | NPC198118 |
0.5806 | Remote Similarity | NPC38859 |
0.5758 | Remote Similarity | NPC76608 |
0.5758 | Remote Similarity | NPC149101 |
0.5758 | Remote Similarity | NPC268596 |
0.5758 | Remote Similarity | NPC225318 |
0.5758 | Remote Similarity | NPC16578 |
0.575 | Remote Similarity | NPC171783 |
0.5667 | Remote Similarity | NPC211250 |
0.5667 | Remote Similarity | NPC230726 |
0.5667 | Remote Similarity | NPC59581 |
0.5625 | Remote Similarity | NPC158107 |
0.5625 | Remote Similarity | NPC248139 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC227197 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
PubChem CID   | 11262 |
ChEMBL   | CHEMBL3182903 |
ZINC   |
Molecular Weight:   | 100.09 |
ALogP:   | -0.1958 |
MLogP:   | 2.01 |
XLogP:   | 1.3 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 7 |