Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO7698 | Elettaria cardamomum | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO3987 | Syzygium aromaticum | Species | Myrtaceae | Eukaryota | TM-MC* | |||
NPO5241 | Myristica fragrans | Species | Myristicaceae | Eukaryota | TM-MC* | |||
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | TM-MC* | |||
NPO28256 | Platycladus orientalis | Species | Cupressaceae | Eukaryota | TM-MC* | |||
NPO23213 | Bistorta officinalis | Species | Polygonaceae | Eukaryota | TM-MC* | |||
NPO8187 | Schisandra chinensis | Species | Schisandraceae | Eukaryota | TM-MC* | |||
NPO14602 | Vitex negundo | 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* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO20154 | Cedrus atlantica | Species | Pinaceae | Eukaryota | TCMID* | |||
NPO13730 | Magnolia liliiflora | Species | Magnoliaceae | Eukaryota | TCMID* | |||
NPO28276 | Artemisia argyi | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO10492 | Artemisia montana | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO25094 | Artemisia princeps | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO12468 | Asarum heterotropoides | Species | Aristolochiaceae | Eukaryota | TM-MC* | |||
NPO6336 | Asarum sieboldii | Species | Aristolochiaceae | Eukaryota | TM-MC* | |||
NPO4659 | Asiasarum heterotropoides | NA | NA | NA | TM-MC* | |||
NPO29078 | Asiasarum sieboldii | NA | NA | NA | TM-MC* | |||
NPO26378 | Bistorta manshuriensis | Species | Polygonaceae | Eukaryota | TM-MC* | |||
NPO17295 | Chrysanthemum zawadskii | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[20809147] |
||
NPO21373 | Vitex trifolia | Species | Lamiaceae | Eukaryota | TCM_Taiwan* | |||
NPO26589 | Artemisia annua | Species | Asteraceae | Eukaryota | TCM_Taiwan* | |||
NPO22741 | Curcuma kwangsiensis | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO24124 | Curcuma longa | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO18068 | Curcuma phaeocaulis | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO2618 | Curcuma wenyujin | Species | Zingiberaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 54482.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 38904.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 10.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 10870.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 61644.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 43641.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 59889.3 | 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 NPC141699 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 |
---|---|---|
0.9811 | High Similarity | NPC165808 |
0.8148 | Intermediate Similarity | NPC289388 |
0.8 | Intermediate Similarity | NPC214584 |
0.8 | Intermediate Similarity | NPC26906 |
0.8 | Intermediate Similarity | NPC244452 |
0.8 | Intermediate Similarity | NPC19241 |
0.7857 | Intermediate Similarity | NPC179169 |
0.7857 | Intermediate Similarity | NPC157781 |
0.7857 | Intermediate Similarity | NPC306195 |
0.7857 | Intermediate Similarity | NPC170167 |
0.7857 | Intermediate Similarity | NPC181255 |
0.7857 | Intermediate Similarity | NPC35519 |
0.7544 | Intermediate Similarity | NPC294358 |
0.7544 | Intermediate Similarity | NPC71506 |
0.7544 | Intermediate Similarity | NPC216407 |
0.7544 | Intermediate Similarity | NPC40417 |
0.7544 | Intermediate Similarity | NPC177112 |
0.75 | Intermediate Similarity | NPC142103 |
0.7377 | Intermediate Similarity | NPC240206 |
0.7368 | Intermediate Similarity | NPC148056 |
0.7324 | Intermediate Similarity | NPC40049 |
0.7321 | Intermediate Similarity | NPC15912 |
0.7321 | Intermediate Similarity | NPC234597 |
0.7313 | Intermediate Similarity | NPC199557 |
0.7241 | Intermediate Similarity | NPC151919 |
0.7231 | Intermediate Similarity | NPC474768 |
0.7193 | Intermediate Similarity | NPC27264 |
0.7193 | Intermediate Similarity | NPC329773 |
0.7188 | Intermediate Similarity | NPC217940 |
0.7167 | Intermediate Similarity | NPC46151 |
0.7143 | Intermediate Similarity | NPC66020 |
0.7121 | Intermediate Similarity | NPC116013 |
0.7119 | Intermediate Similarity | NPC268564 |
0.7083 | Intermediate Similarity | NPC283619 |
0.7077 | Intermediate Similarity | NPC234767 |
0.7077 | Intermediate Similarity | NPC469723 |
0.7059 | Intermediate Similarity | NPC144511 |
0.7059 | Intermediate Similarity | NPC329656 |
0.7059 | Intermediate Similarity | NPC265574 |
0.7059 | Intermediate Similarity | NPC232812 |
0.7059 | Intermediate Similarity | NPC22301 |
0.7059 | Intermediate Similarity | NPC296522 |
0.7059 | Intermediate Similarity | NPC269841 |
0.7049 | Intermediate Similarity | NPC96663 |
0.7049 | Intermediate Similarity | NPC252860 |
0.7042 | Intermediate Similarity | NPC475861 |
0.7031 | Intermediate Similarity | NPC68679 |
0.7031 | Intermediate Similarity | NPC321867 |
0.7031 | Intermediate Similarity | NPC207007 |
0.7015 | Intermediate Similarity | NPC472266 |
0.6986 | Remote Similarity | NPC321514 |
0.697 | Remote Similarity | NPC470688 |
0.6957 | Remote Similarity | NPC37929 |
0.6957 | Remote Similarity | NPC475310 |
0.6957 | Remote Similarity | NPC472955 |
0.6957 | Remote Similarity | NPC64234 |
0.6957 | Remote Similarity | NPC316029 |
0.6933 | Remote Similarity | NPC327002 |
0.6933 | Remote Similarity | NPC476101 |
0.6912 | Remote Similarity | NPC276290 |
0.6912 | Remote Similarity | NPC313444 |
0.6901 | Remote Similarity | NPC160540 |
0.6901 | Remote Similarity | NPC474551 |
0.6901 | Remote Similarity | NPC306928 |
0.6901 | Remote Similarity | NPC474758 |
0.6901 | Remote Similarity | NPC104644 |
0.6892 | Remote Similarity | NPC153987 |
0.6892 | Remote Similarity | NPC44083 |
0.6892 | Remote Similarity | NPC242767 |
0.6885 | Remote Similarity | NPC223604 |
0.6885 | Remote Similarity | NPC477984 |
0.6866 | Remote Similarity | NPC191233 |
0.6857 | Remote Similarity | NPC472254 |
0.6857 | Remote Similarity | NPC160817 |
0.6857 | Remote Similarity | NPC129665 |
0.6857 | Remote Similarity | NPC477084 |
0.6857 | Remote Similarity | NPC5734 |
0.6849 | Remote Similarity | NPC107668 |
0.6849 | Remote Similarity | NPC472300 |
0.6849 | Remote Similarity | NPC54996 |
0.6842 | Remote Similarity | NPC91962 |
0.6818 | Remote Similarity | NPC34883 |
0.6818 | Remote Similarity | NPC329698 |
0.6812 | Remote Similarity | NPC101622 |
0.6812 | Remote Similarity | NPC107130 |
0.6806 | Remote Similarity | NPC113639 |
0.6806 | Remote Similarity | NPC329852 |
0.6806 | Remote Similarity | NPC93213 |
0.68 | Remote Similarity | NPC233332 |
0.68 | Remote Similarity | NPC474978 |
0.6769 | Remote Similarity | NPC79576 |
0.6769 | Remote Similarity | NPC282694 |
0.6769 | Remote Similarity | NPC194208 |
0.6765 | Remote Similarity | NPC472875 |
0.6765 | Remote Similarity | NPC469868 |
0.6765 | Remote Similarity | NPC193029 |
0.6765 | Remote Similarity | NPC473357 |
0.6761 | Remote Similarity | NPC238425 |
0.6761 | Remote Similarity | NPC474543 |
0.6761 | Remote Similarity | NPC472018 |
0.6761 | Remote Similarity | NPC470237 |
0.6761 | Remote Similarity | NPC135703 |
0.6761 | Remote Similarity | NPC35656 |
0.6757 | Remote Similarity | NPC35574 |
0.6757 | Remote Similarity | NPC4827 |
0.6757 | Remote Similarity | NPC474341 |
0.6757 | Remote Similarity | NPC179028 |
0.6753 | Remote Similarity | NPC473592 |
0.6724 | Remote Similarity | NPC207815 |
0.6721 | Remote Similarity | NPC168518 |
0.6721 | Remote Similarity | NPC5626 |
0.6721 | Remote Similarity | NPC105780 |
0.6716 | Remote Similarity | NPC471200 |
0.6716 | Remote Similarity | NPC220766 |
0.6714 | Remote Similarity | NPC69462 |
0.6714 | Remote Similarity | NPC472017 |
0.6714 | Remote Similarity | NPC4299 |
0.6714 | Remote Similarity | NPC315597 |
0.6714 | Remote Similarity | NPC315285 |
0.6712 | Remote Similarity | NPC40353 |
0.6712 | Remote Similarity | NPC476317 |
0.6712 | Remote Similarity | NPC41017 |
0.6712 | Remote Similarity | NPC899 |
0.6712 | Remote Similarity | NPC473223 |
0.6712 | Remote Similarity | NPC180886 |
0.6711 | Remote Similarity | NPC290495 |
0.6711 | Remote Similarity | NPC25554 |
0.6711 | Remote Similarity | NPC108476 |
0.6711 | Remote Similarity | NPC195334 |
0.6667 | Remote Similarity | NPC251970 |
0.6667 | Remote Similarity | NPC174956 |
0.6667 | Remote Similarity | NPC301065 |
0.6667 | Remote Similarity | NPC310210 |
0.6667 | Remote Similarity | NPC117746 |
0.6667 | Remote Similarity | NPC15499 |
0.6667 | Remote Similarity | NPC100906 |
0.6667 | Remote Similarity | NPC469617 |
0.6667 | Remote Similarity | NPC241854 |
0.6667 | Remote Similarity | NPC166797 |
0.6667 | Remote Similarity | NPC294434 |
0.6667 | Remote Similarity | NPC170561 |
0.6667 | Remote Similarity | NPC259599 |
0.6667 | Remote Similarity | NPC71152 |
0.6667 | Remote Similarity | NPC231431 |
0.6667 | Remote Similarity | NPC472966 |
0.6667 | Remote Similarity | NPC476046 |
0.6667 | Remote Similarity | NPC156981 |
0.6667 | Remote Similarity | NPC327674 |
0.6623 | Remote Similarity | NPC471218 |
0.6623 | Remote Similarity | NPC256112 |
0.6623 | Remote Similarity | NPC286786 |
0.6623 | Remote Similarity | NPC474979 |
0.6622 | Remote Similarity | NPC476439 |
0.6622 | Remote Similarity | NPC186109 |
0.6622 | Remote Similarity | NPC132542 |
0.6622 | Remote Similarity | NPC41780 |
0.6622 | Remote Similarity | NPC187568 |
0.662 | Remote Similarity | NPC181587 |
0.6618 | Remote Similarity | NPC154728 |
0.6618 | Remote Similarity | NPC315115 |
0.6618 | Remote Similarity | NPC304665 |
0.6618 | Remote Similarity | NPC126899 |
0.6618 | Remote Similarity | NPC259156 |
0.6618 | Remote Similarity | NPC242945 |
0.6618 | Remote Similarity | NPC100719 |
0.6618 | Remote Similarity | NPC322035 |
0.6618 | Remote Similarity | NPC166791 |
0.6615 | Remote Similarity | NPC135648 |
0.6615 | Remote Similarity | NPC240506 |
0.6613 | Remote Similarity | NPC67367 |
0.661 | Remote Similarity | NPC176819 |
0.661 | Remote Similarity | NPC58970 |
0.661 | Remote Similarity | NPC163984 |
0.661 | Remote Similarity | NPC32351 |
0.6582 | Remote Similarity | NPC477747 |
0.6582 | Remote Similarity | NPC472442 |
0.6582 | Remote Similarity | NPC477746 |
0.6579 | Remote Similarity | NPC15714 |
0.6579 | Remote Similarity | NPC268827 |
0.6579 | Remote Similarity | NPC37038 |
0.6579 | Remote Similarity | NPC195424 |
0.6579 | Remote Similarity | NPC47747 |
0.6579 | Remote Similarity | NPC473685 |
0.6579 | Remote Similarity | NPC269791 |
0.6579 | Remote Similarity | NPC103634 |
0.6579 | Remote Similarity | NPC267517 |
0.6575 | Remote Similarity | NPC279666 |
0.6575 | Remote Similarity | NPC476795 |
0.6575 | Remote Similarity | NPC192540 |
0.6575 | Remote Similarity | NPC324762 |
0.6571 | Remote Similarity | NPC151481 |
0.6571 | Remote Similarity | NPC470693 |
0.6567 | Remote Similarity | NPC226066 |
0.6562 | Remote Similarity | NPC329819 |
0.6557 | Remote Similarity | NPC14002 |
0.6557 | Remote Similarity | NPC23117 |
0.6557 | Remote Similarity | NPC165755 |
0.6552 | Remote Similarity | NPC100445 |
0.6538 | Remote Similarity | NPC132386 |
0.6538 | Remote Similarity | NPC34764 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC141699 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 |
---|---|---|---|
0.7231 | Intermediate Similarity | NPD2685 | Clinical (unspecified phase) |
0.7031 | Intermediate Similarity | NPD368 | Approved |
0.6567 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.6538 | Remote Similarity | NPD319 | Phase 1 |
0.65 | Remote Similarity | NPD6098 | Approved |
0.642 | Remote Similarity | NPD3573 | Approved |
0.6377 | Remote Similarity | NPD7331 | Phase 2 |
0.6364 | Remote Similarity | NPD1145 | Discontinued |
0.6351 | Remote Similarity | NPD8039 | Approved |
0.6349 | Remote Similarity | NPD342 | Phase 1 |
0.6341 | Remote Similarity | NPD5208 | Approved |
0.6308 | Remote Similarity | NPD287 | Approved |
0.6296 | Remote Similarity | NPD7146 | Approved |
0.6296 | Remote Similarity | NPD6409 | Approved |
0.6296 | Remote Similarity | NPD7334 | Approved |
0.6296 | Remote Similarity | NPD6684 | Approved |
0.6296 | Remote Similarity | NPD5330 | Approved |
0.6296 | Remote Similarity | NPD7521 | Approved |
0.6269 | Remote Similarity | NPD4194 | Approved |
0.6269 | Remote Similarity | NPD4193 | Approved |
0.6269 | Remote Similarity | NPD4191 | Approved |
0.6269 | Remote Similarity | NPD4192 | Approved |
0.6265 | Remote Similarity | NPD6673 | Approved |
0.6265 | Remote Similarity | NPD6080 | Approved |
0.6265 | Remote Similarity | NPD6051 | Approved |
0.6265 | Remote Similarity | NPD6904 | Approved |
0.6207 | Remote Similarity | NPD3174 | Discontinued |
0.619 | Remote Similarity | NPD5207 | Approved |
0.619 | Remote Similarity | NPD5692 | Phase 3 |
0.6173 | Remote Similarity | NPD1694 | Approved |
0.6145 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.6145 | Remote Similarity | NPD5737 | Approved |
0.6145 | Remote Similarity | NPD6903 | Approved |
0.6145 | Remote Similarity | NPD6672 | Approved |
0.6118 | Remote Similarity | NPD5694 | Approved |
0.6118 | Remote Similarity | NPD6050 | Approved |
0.6118 | Remote Similarity | NPD5693 | Phase 1 |
0.6026 | Remote Similarity | NPD4195 | Approved |
0.6 | Remote Similarity | NPD7341 | Phase 2 |
0.6 | Remote Similarity | NPD5343 | Approved |
0.6 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5977 | Remote Similarity | NPD5707 | Approved |
0.5977 | Remote Similarity | NPD6001 | Approved |
0.5968 | Remote Similarity | NPD6927 | Phase 3 |
0.5968 | Remote Similarity | NPD29 | Approved |
0.5968 | Remote Similarity | NPD28 | Approved |
0.5946 | Remote Similarity | NPD4243 | Approved |
0.5909 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.5909 | Remote Similarity | NPD5695 | Phase 3 |
0.5902 | Remote Similarity | NPD3173 | Approved |
0.589 | Remote Similarity | NPD4137 | Phase 3 |
0.5882 | Remote Similarity | NPD6101 | Approved |
0.5882 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5875 | Remote Similarity | NPD5369 | Approved |
0.5862 | Remote Similarity | NPD6399 | Phase 3 |
0.5811 | Remote Similarity | NPD4691 | Approved |
0.5811 | Remote Similarity | NPD4747 | Approved |
0.5802 | Remote Similarity | NPD4221 | Approved |
0.5802 | Remote Similarity | NPD5209 | Approved |
0.5802 | Remote Similarity | NPD4223 | Phase 3 |
0.5802 | Remote Similarity | NPD6435 | Approved |
0.5795 | Remote Similarity | NPD7901 | Clinical (unspecified phase) |
0.5795 | Remote Similarity | NPD7748 | Approved |
0.5795 | Remote Similarity | NPD7900 | Approved |
0.5789 | Remote Similarity | NPD4785 | Approved |
0.5789 | Remote Similarity | NPD4784 | Approved |
0.5783 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.5783 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5781 | Remote Similarity | NPD3172 | Approved |
0.5778 | Remote Similarity | NPD6084 | Phase 2 |
0.5778 | Remote Similarity | NPD6083 | Phase 2 |
0.5763 | Remote Similarity | NPD6097 | Approved |
0.5763 | Remote Similarity | NPD6096 | Approved |
0.5753 | Remote Similarity | NPD3621 | Clinical (unspecified phase) |
0.575 | Remote Similarity | NPD4821 | Approved |
0.575 | Remote Similarity | NPD4822 | Approved |
0.575 | Remote Similarity | NPD4819 | Approved |
0.575 | Remote Similarity | NPD4820 | Approved |
0.575 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5747 | Remote Similarity | NPD5284 | Approved |
0.5747 | Remote Similarity | NPD6411 | Approved |
0.5747 | Remote Similarity | NPD5281 | Approved |
0.5732 | Remote Similarity | NPD5362 | Discontinued |
0.5732 | Remote Similarity | NPD7154 | Phase 3 |
0.573 | Remote Similarity | NPD5654 | Approved |
0.5714 | Remote Similarity | NPD5275 | Approved |
0.5714 | Remote Similarity | NPD5696 | Approved |
0.5714 | Remote Similarity | NPD4190 | Phase 3 |
0.5698 | Remote Similarity | NPD1695 | Approved |
0.5696 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5692 | Remote Similarity | NPD4266 | Approved |
0.5692 | Remote Similarity | NPD3196 | Approved |
0.5692 | Remote Similarity | NPD3194 | Approved |
0.5692 | Remote Similarity | NPD3195 | Phase 2 |
0.5682 | Remote Similarity | NPD5778 | Approved |
0.5682 | Remote Similarity | NPD5779 | Approved |
0.5667 | Remote Similarity | NPD39 | Approved |
0.5667 | Remote Similarity | NPD4222 | Approved |
0.5663 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5663 | Remote Similarity | NPD4197 | Approved |
0.5645 | Remote Similarity | NPD9410 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD7645 | Phase 2 |
0.561 | Remote Similarity | NPD3667 | Approved |
0.5604 | Remote Similarity | NPD5959 | Approved |
0.5604 | Remote Similarity | NPD7902 | Approved |
PubChem CID   | 111037 |
ChEMBL   | CHEMBL3183581 |
ZINC   |
Molecular Weight:   | 196.15 |
ALogP:   | 1.5014 |
MLogP:   | 2.56 |
XLogP:   | 3.109 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 14 |