Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO29645 | Gardeniae fructus | NA | NA | NA | TCMSP* | |||
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | TM-MC* | |||
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | TM-MC* | |||
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | fruits |
PMID[23305920] |
||
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | TCM_Taiwan* | |||
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | TCM_Taiwan* | |||
NPO6323 | Croci stigma | NA | NA | NA | TCMSP* |
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 NPC43053 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 |
---|---|---|
0.898 | High Similarity | NPC221467 |
0.8036 | Intermediate Similarity | NPC254095 |
0.8 | Intermediate Similarity | NPC308331 |
0.8 | Intermediate Similarity | NPC87137 |
0.7963 | Intermediate Similarity | NPC474127 |
0.7959 | Intermediate Similarity | NPC304079 |
0.7959 | Intermediate Similarity | NPC6963 |
0.7872 | Intermediate Similarity | NPC8270 |
0.7857 | Intermediate Similarity | NPC135863 |
0.7857 | Intermediate Similarity | NPC249850 |
0.7857 | Intermediate Similarity | NPC283502 |
0.7857 | Intermediate Similarity | NPC293437 |
0.7719 | Intermediate Similarity | NPC223679 |
0.7719 | Intermediate Similarity | NPC189700 |
0.7708 | Intermediate Similarity | NPC221250 |
0.7586 | Intermediate Similarity | NPC82465 |
0.7544 | Intermediate Similarity | NPC129150 |
0.7544 | Intermediate Similarity | NPC294938 |
0.7447 | Intermediate Similarity | NPC63598 |
0.7414 | Intermediate Similarity | NPC471619 |
0.7414 | Intermediate Similarity | NPC21946 |
0.7368 | Intermediate Similarity | NPC324224 |
0.7368 | Intermediate Similarity | NPC472808 |
0.7368 | Intermediate Similarity | NPC51846 |
0.7358 | Intermediate Similarity | NPC137419 |
0.7358 | Intermediate Similarity | NPC122212 |
0.7321 | Intermediate Similarity | NPC322461 |
0.7321 | Intermediate Similarity | NPC478120 |
0.7321 | Intermediate Similarity | NPC218486 |
0.7302 | Intermediate Similarity | NPC254886 |
0.7258 | Intermediate Similarity | NPC471566 |
0.7258 | Intermediate Similarity | NPC471565 |
0.7234 | Intermediate Similarity | NPC107877 |
0.7222 | Intermediate Similarity | NPC15789 |
0.7213 | Intermediate Similarity | NPC68110 |
0.72 | Intermediate Similarity | NPC102879 |
0.7167 | Intermediate Similarity | NPC130953 |
0.7167 | Intermediate Similarity | NPC98519 |
0.7143 | Intermediate Similarity | NPC308294 |
0.7143 | Intermediate Similarity | NPC142423 |
0.7077 | Intermediate Similarity | NPC236208 |
0.7069 | Intermediate Similarity | NPC325977 |
0.7069 | Intermediate Similarity | NPC221763 |
0.7069 | Intermediate Similarity | NPC150717 |
0.7059 | Intermediate Similarity | NPC270796 |
0.7049 | Intermediate Similarity | NPC317177 |
0.7049 | Intermediate Similarity | NPC317025 |
0.7049 | Intermediate Similarity | NPC326645 |
0.7049 | Intermediate Similarity | NPC329416 |
0.7021 | Intermediate Similarity | NPC308418 |
0.7015 | Intermediate Similarity | NPC238948 |
0.7015 | Intermediate Similarity | NPC12815 |
0.7015 | Intermediate Similarity | NPC215745 |
0.7 | Intermediate Similarity | NPC322186 |
0.6984 | Remote Similarity | NPC273600 |
0.6984 | Remote Similarity | NPC471556 |
0.6981 | Remote Similarity | NPC128280 |
0.697 | Remote Similarity | NPC59558 |
0.6964 | Remote Similarity | NPC191643 |
0.6935 | Remote Similarity | NPC2328 |
0.6935 | Remote Similarity | NPC322457 |
0.6935 | Remote Similarity | NPC473737 |
0.6935 | Remote Similarity | NPC77891 |
0.6909 | Remote Similarity | NPC236338 |
0.6897 | Remote Similarity | NPC173157 |
0.6897 | Remote Similarity | NPC478117 |
0.6875 | Remote Similarity | NPC146811 |
0.6866 | Remote Similarity | NPC316185 |
0.6833 | Remote Similarity | NPC34416 |
0.6833 | Remote Similarity | NPC474084 |
0.6818 | Remote Similarity | NPC143396 |
0.6809 | Remote Similarity | NPC297363 |
0.6809 | Remote Similarity | NPC60675 |
0.6792 | Remote Similarity | NPC270706 |
0.6792 | Remote Similarity | NPC117572 |
0.6786 | Remote Similarity | NPC15129 |
0.6774 | Remote Similarity | NPC40082 |
0.6774 | Remote Similarity | NPC26810 |
0.6727 | Remote Similarity | NPC267110 |
0.6721 | Remote Similarity | NPC329249 |
0.6721 | Remote Similarity | NPC86789 |
0.6721 | Remote Similarity | NPC329550 |
0.6721 | Remote Similarity | NPC322002 |
0.6721 | Remote Similarity | NPC318306 |
0.6719 | Remote Similarity | NPC7940 |
0.6714 | Remote Similarity | NPC4492 |
0.6714 | Remote Similarity | NPC51391 |
0.6667 | Remote Similarity | NPC268185 |
0.6667 | Remote Similarity | NPC472445 |
0.6667 | Remote Similarity | NPC179087 |
0.6667 | Remote Similarity | NPC71755 |
0.6667 | Remote Similarity | NPC44343 |
0.6667 | Remote Similarity | NPC315843 |
0.6667 | Remote Similarity | NPC227396 |
0.6667 | Remote Similarity | NPC210303 |
0.6618 | Remote Similarity | NPC293114 |
0.6615 | Remote Similarity | NPC475675 |
0.6615 | Remote Similarity | NPC475555 |
0.6615 | Remote Similarity | NPC255781 |
0.6613 | Remote Similarity | NPC251042 |
0.6613 | Remote Similarity | NPC122521 |
0.6613 | Remote Similarity | NPC174447 |
0.6613 | Remote Similarity | NPC327112 |
0.6613 | Remote Similarity | NPC309408 |
0.6613 | Remote Similarity | NPC328311 |
0.6604 | Remote Similarity | NPC138935 |
0.6596 | Remote Similarity | NPC224651 |
0.6596 | Remote Similarity | NPC217161 |
0.6596 | Remote Similarity | NPC98098 |
0.6545 | Remote Similarity | NPC91495 |
0.6522 | Remote Similarity | NPC284006 |
0.6508 | Remote Similarity | NPC263732 |
0.6508 | Remote Similarity | NPC55376 |
0.6508 | Remote Similarity | NPC64985 |
0.6491 | Remote Similarity | NPC48162 |
0.6491 | Remote Similarity | NPC178586 |
0.6481 | Remote Similarity | NPC160628 |
0.6471 | Remote Similarity | NPC476037 |
0.6471 | Remote Similarity | NPC315597 |
0.6462 | Remote Similarity | NPC282760 |
0.6452 | Remote Similarity | NPC97570 |
0.6441 | Remote Similarity | NPC189677 |
0.6441 | Remote Similarity | NPC300121 |
0.6441 | Remote Similarity | NPC154626 |
0.6438 | Remote Similarity | NPC63326 |
0.6438 | Remote Similarity | NPC265980 |
0.6429 | Remote Similarity | NPC149821 |
0.6429 | Remote Similarity | NPC313553 |
0.6429 | Remote Similarity | NPC234084 |
0.6429 | Remote Similarity | NPC5413 |
0.6429 | Remote Similarity | NPC126184 |
0.6429 | Remote Similarity | NPC107654 |
0.6418 | Remote Similarity | NPC474823 |
0.6415 | Remote Similarity | NPC116934 |
0.6406 | Remote Similarity | NPC190049 |
0.6406 | Remote Similarity | NPC155849 |
0.6393 | Remote Similarity | NPC44542 |
0.6393 | Remote Similarity | NPC245650 |
0.6379 | Remote Similarity | NPC229046 |
0.6379 | Remote Similarity | NPC46565 |
0.6377 | Remote Similarity | NPC288667 |
0.6377 | Remote Similarity | NPC319163 |
0.6377 | Remote Similarity | NPC67076 |
0.6364 | Remote Similarity | NPC315115 |
0.6364 | Remote Similarity | NPC42304 |
0.6364 | Remote Similarity | NPC197467 |
0.6364 | Remote Similarity | NPC81907 |
0.6349 | Remote Similarity | NPC305973 |
0.6349 | Remote Similarity | NPC79756 |
0.6338 | Remote Similarity | NPC260396 |
0.6338 | Remote Similarity | NPC478195 |
0.6338 | Remote Similarity | NPC478192 |
0.6338 | Remote Similarity | NPC478196 |
0.6338 | Remote Similarity | NPC68624 |
0.6338 | Remote Similarity | NPC478193 |
0.6338 | Remote Similarity | NPC478194 |
0.6338 | Remote Similarity | NPC169056 |
0.6338 | Remote Similarity | NPC166018 |
0.6338 | Remote Similarity | NPC225665 |
0.6338 | Remote Similarity | NPC478191 |
0.6324 | Remote Similarity | NPC151481 |
0.6324 | Remote Similarity | NPC475004 |
0.6316 | Remote Similarity | NPC225974 |
0.6316 | Remote Similarity | NPC59051 |
0.6296 | Remote Similarity | NPC477686 |
0.6286 | Remote Similarity | NPC329890 |
0.6286 | Remote Similarity | NPC316851 |
0.6275 | Remote Similarity | NPC298413 |
0.6271 | Remote Similarity | NPC61177 |
0.6269 | Remote Similarity | NPC132286 |
0.6269 | Remote Similarity | NPC49863 |
0.6269 | Remote Similarity | NPC122627 |
0.6269 | Remote Similarity | NPC225272 |
0.625 | Remote Similarity | NPC203277 |
0.625 | Remote Similarity | NPC273614 |
0.625 | Remote Similarity | NPC470705 |
0.625 | Remote Similarity | NPC128520 |
0.625 | Remote Similarity | NPC207292 |
0.6232 | Remote Similarity | NPC67183 |
0.6232 | Remote Similarity | NPC476012 |
0.6232 | Remote Similarity | NPC315285 |
0.623 | Remote Similarity | NPC18951 |
0.6226 | Remote Similarity | NPC41409 |
0.6226 | Remote Similarity | NPC169098 |
0.6226 | Remote Similarity | NPC187922 |
0.6212 | Remote Similarity | NPC317881 |
0.6212 | Remote Similarity | NPC255863 |
0.6212 | Remote Similarity | NPC19769 |
0.6212 | Remote Similarity | NPC96414 |
0.6212 | Remote Similarity | NPC320642 |
0.6212 | Remote Similarity | NPC323477 |
0.6212 | Remote Similarity | NPC245947 |
0.6212 | Remote Similarity | NPC323045 |
0.6212 | Remote Similarity | NPC318420 |
0.6212 | Remote Similarity | NPC326268 |
0.6212 | Remote Similarity | NPC136164 |
0.6207 | Remote Similarity | NPC477777 |
0.6207 | Remote Similarity | NPC284212 |
0.6197 | Remote Similarity | NPC470686 |
0.619 | Remote Similarity | NPC106851 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC43053 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 |
---|---|---|---|
0.8776 | High Similarity | NPD4220 | Pre-registration |
0.7755 | Intermediate Similarity | NPD9411 | Phase 1 |
0.7059 | Intermediate Similarity | NPD5326 | Phase 3 |
0.7049 | Intermediate Similarity | NPD4194 | Approved |
0.7049 | Intermediate Similarity | NPD4191 | Approved |
0.7049 | Intermediate Similarity | NPD4192 | Approved |
0.7049 | Intermediate Similarity | NPD4193 | Approved |
0.6792 | Remote Similarity | NPD4222 | Approved |
0.6792 | Remote Similarity | NPD39 | Approved |
0.6613 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6596 | Remote Similarity | NPD8573 | Approved |
0.6429 | Remote Similarity | NPD3173 | Approved |
0.6389 | Remote Similarity | NPD4756 | Discovery |
0.6269 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6207 | Remote Similarity | NPD6927 | Phase 3 |
0.6182 | Remote Similarity | NPD4265 | Approved |
0.6 | Remote Similarity | NPD3172 | Approved |
0.6 | Remote Similarity | NPD6096 | Approved |
0.6 | Remote Similarity | NPD6097 | Approved |
0.5957 | Remote Similarity | NPD9114 | Clinical (unspecified phase) |
0.5902 | Remote Similarity | NPD3194 | Approved |
0.5902 | Remote Similarity | NPD3196 | Approved |
0.5902 | Remote Similarity | NPD4266 | Approved |
0.5902 | Remote Similarity | NPD3195 | Phase 2 |
0.5893 | Remote Similarity | NPD3174 | Discontinued |
0.5882 | Remote Similarity | NPD9115 | Approved |
0.569 | Remote Similarity | NPD5343 | Approved |
0.566 | Remote Similarity | NPD5783 | Phase 3 |
0.5645 | Remote Similarity | NPD539 | Approved |
PubChem CID   | 5281232 |
ChEMBL   | CHEMBL464792 |
ZINC   |
Molecular Weight:   | 328.17 |
ALogP:   | 4.5806 |
MLogP:   | 3.22 |
XLogP:   | 4.472 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 74.6 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 24 |