Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO25583 | Beta vulgaris | Species | Chenopodiaceae | Eukaryota | TCM_Taiwan* | |||
NPO7507 | Portulaca grandiflora | Species | Portulacaceae | Eukaryota | TCMID* | |||
NPO27911 | Celosia cristata | Species | Amaranthaceae | Eukaryota | TCMID* | |||
NPO25583 | Beta vulgaris | Species | Chenopodiaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Activity | = | 2.7 | equiv | 22642551 |
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 NPC202056 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 |
---|---|---|
0.7216 | Intermediate Similarity | NPC313265 |
0.7108 | Intermediate Similarity | NPC7392 |
0.7108 | Intermediate Similarity | NPC98329 |
0.7059 | Intermediate Similarity | NPC133700 |
0.6747 | Remote Similarity | NPC4668 |
0.6747 | Remote Similarity | NPC133758 |
0.64 | Remote Similarity | NPC236322 |
0.6395 | Remote Similarity | NPC314221 |
0.6395 | Remote Similarity | NPC60424 |
0.6353 | Remote Similarity | NPC50047 |
0.6154 | Remote Similarity | NPC40663 |
0.6132 | Remote Similarity | NPC473364 |
0.6092 | Remote Similarity | NPC112312 |
0.6022 | Remote Similarity | NPC122471 |
0.6 | Remote Similarity | NPC305973 |
0.5929 | Remote Similarity | NPC298484 |
0.59 | Remote Similarity | NPC296589 |
0.5895 | Remote Similarity | NPC314680 |
0.5851 | Remote Similarity | NPC281154 |
0.5806 | Remote Similarity | NPC475610 |
0.5804 | Remote Similarity | NPC185929 |
0.5804 | Remote Similarity | NPC471259 |
0.58 | Remote Similarity | NPC475975 |
0.5795 | Remote Similarity | NPC66789 |
0.5743 | Remote Similarity | NPC90476 |
0.5743 | Remote Similarity | NPC69374 |
0.5728 | Remote Similarity | NPC320057 |
0.569 | Remote Similarity | NPC59249 |
0.5686 | Remote Similarity | NPC469861 |
0.5686 | Remote Similarity | NPC476141 |
0.5686 | Remote Similarity | NPC130436 |
0.5686 | Remote Similarity | NPC469860 |
0.568 | Remote Similarity | NPC473249 |
0.5657 | Remote Similarity | NPC226982 |
0.5657 | Remote Similarity | NPC277341 |
0.5648 | Remote Similarity | NPC471257 |
0.5638 | Remote Similarity | NPC26932 |
0.5612 | Remote Similarity | NPC157173 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC202056 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 |
---|---|---|---|
0.7108 | Intermediate Similarity | NPD9137 | Approved |
0.5917 | Remote Similarity | NPD7739 | Clinical (unspecified phase) |
0.5913 | Remote Similarity | NPD2090 | Approved |
0.5868 | Remote Similarity | NPD7623 | Phase 3 |
0.5868 | Remote Similarity | NPD7624 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD9109 | Discontinued |
0.5798 | Remote Similarity | NPD2099 | Approved |
0.5766 | Remote Similarity | NPD2905 | Discontinued |
0.5684 | Remote Similarity | NPD1452 | Discontinued |
0.568 | Remote Similarity | NPD7747 | Phase 1 |
0.568 | Remote Similarity | NPD7746 | Phase 1 |
0.566 | Remote Similarity | NPD2251 | Approved |
0.566 | Remote Similarity | NPD2252 | Approved |
PubChem CID   | 5281176 |
ChEMBL   | CHEMBL2062984 |
ZINC   |
Molecular Weight:   | 211.05 |
ALogP:   | -1.0006 |
MLogP:   | 1.79 |
XLogP:   | -0.806 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 103.7 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 3 |
# Rings:   | 1 |
# Heavy Atoms:   | 15 |