Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO21390 | Zanthoxylum integrifoliolum | Species | Rutaceae | Eukaryota | fruit | Lanyu Island, Taitung County, Taiwan |
PMID[10395498] |
|
NPO21390 | Zanthoxylum integrifoliolum | Species | Rutaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT177 | Tissue | Aorta | Rattus norvegicus | Activity | = | 28.6 | % | 10395498 |
NPT177 | Tissue | Aorta | Rattus norvegicus | Activity | = | 47.6 | % | 10395498 |
NPT177 | Tissue | Aorta | Rattus norvegicus | Activity | = | 82 | % | 10395498 |
NPT177 | Tissue | Aorta | Rattus norvegicus | Activity | = | 77.1 | % | 10395498 |
NPT177 | Tissue | Aorta | Rattus norvegicus | Activity | = | 100 | % | 10395498 |
NPT177 | Tissue | Aorta | Rattus norvegicus | Activity | = | 45.5 | % | 10395498 |
NPT2 | Others | Unspecified | Activity | = | 8.9 | % | 10395498 | |
NPT2 | Others | Unspecified | Activity | = | 75.7 | % | 10395498 | |
NPT2 | Others | Unspecified | Activity | = | 80.4 | % | 10395498 | |
NPT2 | Others | Unspecified | Activity | = | 0 | % | 10395498 | |
NPT2 | Others | Unspecified | Activity | = | 15.6 | % | 10395498 | |
NPT2 | Others | Unspecified | Activity | = | 2.7 | % | 10395498 | |
NPT2 | Others | Unspecified | Activity | = | 20 | % | 10395498 | |
NPT2 | Others | Unspecified | Activity | = | 78.6 | % | 10395498 |
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 NPC187315 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 |
---|---|---|
0.918 | High Similarity | NPC6795 |
0.8361 | Intermediate Similarity | NPC273023 |
0.8226 | Intermediate Similarity | NPC261158 |
0.8226 | Intermediate Similarity | NPC24216 |
0.8226 | Intermediate Similarity | NPC104138 |
0.8226 | Intermediate Similarity | NPC306420 |
0.8125 | Intermediate Similarity | NPC312826 |
0.8065 | Intermediate Similarity | NPC297020 |
0.8033 | Intermediate Similarity | NPC303672 |
0.7869 | Intermediate Similarity | NPC195986 |
0.7812 | Intermediate Similarity | NPC245650 |
0.7705 | Intermediate Similarity | NPC243539 |
0.7705 | Intermediate Similarity | NPC267340 |
0.7705 | Intermediate Similarity | NPC145032 |
0.7705 | Intermediate Similarity | NPC54542 |
0.7705 | Intermediate Similarity | NPC304223 |
0.7619 | Intermediate Similarity | NPC44193 |
0.7619 | Intermediate Similarity | NPC246519 |
0.7619 | Intermediate Similarity | NPC132669 |
0.7619 | Intermediate Similarity | NPC184014 |
0.7619 | Intermediate Similarity | NPC14234 |
0.7619 | Intermediate Similarity | NPC269800 |
0.7568 | Intermediate Similarity | NPC476923 |
0.7541 | Intermediate Similarity | NPC307435 |
0.7541 | Intermediate Similarity | NPC267692 |
0.75 | Intermediate Similarity | NPC471991 |
0.75 | Intermediate Similarity | NPC471992 |
0.746 | Intermediate Similarity | NPC119655 |
0.7344 | Intermediate Similarity | NPC56028 |
0.7344 | Intermediate Similarity | NPC305288 |
0.7344 | Intermediate Similarity | NPC167759 |
0.7344 | Intermediate Similarity | NPC163912 |
0.7123 | Intermediate Similarity | NPC471022 |
0.7121 | Intermediate Similarity | NPC477049 |
0.7101 | Intermediate Similarity | NPC273614 |
0.7077 | Intermediate Similarity | NPC13011 |
0.7077 | Intermediate Similarity | NPC123669 |
0.7077 | Intermediate Similarity | NPC124382 |
0.7042 | Intermediate Similarity | NPC477525 |
0.7 | Intermediate Similarity | NPC77891 |
0.7 | Intermediate Similarity | NPC471023 |
0.7 | Intermediate Similarity | NPC182758 |
0.6957 | Remote Similarity | NPC130807 |
0.6866 | Remote Similarity | NPC4881 |
0.6757 | Remote Similarity | NPC249713 |
0.6714 | Remote Similarity | NPC309877 |
0.6712 | Remote Similarity | NPC315141 |
0.6712 | Remote Similarity | NPC129995 |
0.6667 | Remote Similarity | NPC235311 |
0.6667 | Remote Similarity | NPC61177 |
0.6667 | Remote Similarity | NPC150162 |
0.6667 | Remote Similarity | NPC253468 |
0.6622 | Remote Similarity | NPC278895 |
0.662 | Remote Similarity | NPC29468 |
0.662 | Remote Similarity | NPC324077 |
0.6615 | Remote Similarity | NPC477458 |
0.6571 | Remote Similarity | NPC150505 |
0.6571 | Remote Similarity | NPC74617 |
0.6512 | Remote Similarity | NPC472614 |
0.6447 | Remote Similarity | NPC45060 |
0.6447 | Remote Similarity | NPC280065 |
0.641 | Remote Similarity | NPC314678 |
0.6406 | Remote Similarity | NPC91044 |
0.6351 | Remote Similarity | NPC255863 |
0.6351 | Remote Similarity | NPC245947 |
0.6351 | Remote Similarity | NPC136164 |
0.6338 | Remote Similarity | NPC473652 |
0.6301 | Remote Similarity | NPC316674 |
0.625 | Remote Similarity | NPC251042 |
0.625 | Remote Similarity | NPC174447 |
0.625 | Remote Similarity | NPC122521 |
0.6234 | Remote Similarity | NPC143396 |
0.6234 | Remote Similarity | NPC103712 |
0.6234 | Remote Similarity | NPC291196 |
0.6197 | Remote Similarity | NPC325734 |
0.619 | Remote Similarity | NPC477582 |
0.6164 | Remote Similarity | NPC40082 |
0.6154 | Remote Similarity | NPC472613 |
0.6145 | Remote Similarity | NPC314854 |
0.6145 | Remote Similarity | NPC313911 |
0.6143 | Remote Similarity | NPC18951 |
0.6143 | Remote Similarity | NPC477201 |
0.6143 | Remote Similarity | NPC325977 |
0.6133 | Remote Similarity | NPC318420 |
0.6133 | Remote Similarity | NPC326268 |
0.6129 | Remote Similarity | NPC175614 |
0.6125 | Remote Similarity | NPC227396 |
0.6118 | Remote Similarity | NPC477583 |
0.6118 | Remote Similarity | NPC477581 |
0.6111 | Remote Similarity | NPC326524 |
0.6111 | Remote Similarity | NPC329003 |
0.6111 | Remote Similarity | NPC325550 |
0.6081 | Remote Similarity | NPC190049 |
0.6076 | Remote Similarity | NPC469836 |
0.6076 | Remote Similarity | NPC288667 |
0.6064 | Remote Similarity | NPC265662 |
0.6061 | Remote Similarity | NPC267110 |
0.6056 | Remote Similarity | NPC225929 |
0.6053 | Remote Similarity | NPC308294 |
0.6053 | Remote Similarity | NPC142423 |
0.6044 | Remote Similarity | NPC314500 |
0.6027 | Remote Similarity | NPC327112 |
0.6026 | Remote Similarity | NPC236208 |
0.6024 | Remote Similarity | NPC469492 |
0.6 | Remote Similarity | NPC470320 |
0.6 | Remote Similarity | NPC242930 |
0.5972 | Remote Similarity | NPC210999 |
0.5972 | Remote Similarity | NPC321030 |
0.597 | Remote Similarity | NPC474391 |
0.5957 | Remote Similarity | NPC247220 |
0.5952 | Remote Similarity | NPC471597 |
0.5952 | Remote Similarity | NPC469517 |
0.5946 | Remote Similarity | NPC64985 |
0.5946 | Remote Similarity | NPC168407 |
0.5942 | Remote Similarity | NPC217188 |
0.5942 | Remote Similarity | NPC284224 |
0.5942 | Remote Similarity | NPC45283 |
0.5942 | Remote Similarity | NPC294548 |
0.5942 | Remote Similarity | NPC1813 |
0.5942 | Remote Similarity | NPC139029 |
0.5942 | Remote Similarity | NPC36061 |
0.593 | Remote Similarity | NPC14326 |
0.5926 | Remote Similarity | NPC469835 |
0.5926 | Remote Similarity | NPC288086 |
0.5921 | Remote Similarity | NPC133904 |
0.5909 | Remote Similarity | NPC3210 |
0.5897 | Remote Similarity | NPC96272 |
0.589 | Remote Similarity | NPC106851 |
0.589 | Remote Similarity | NPC274927 |
0.5882 | Remote Similarity | NPC476290 |
0.5882 | Remote Similarity | NPC19497 |
0.5875 | Remote Similarity | NPC133253 |
0.5867 | Remote Similarity | NPC477707 |
0.5862 | Remote Similarity | NPC477584 |
0.5857 | Remote Similarity | NPC189677 |
0.5857 | Remote Similarity | NPC322461 |
0.5857 | Remote Similarity | NPC25417 |
0.5857 | Remote Similarity | NPC261831 |
0.5857 | Remote Similarity | NPC154245 |
0.5857 | Remote Similarity | NPC88966 |
0.5857 | Remote Similarity | NPC87564 |
0.5857 | Remote Similarity | NPC63396 |
0.5857 | Remote Similarity | NPC281972 |
0.5857 | Remote Similarity | NPC85813 |
0.5857 | Remote Similarity | NPC32467 |
0.5857 | Remote Similarity | NPC424 |
0.5857 | Remote Similarity | NPC202850 |
0.5857 | Remote Similarity | NPC290563 |
0.5857 | Remote Similarity | NPC6095 |
0.5854 | Remote Similarity | NPC476346 |
0.5851 | Remote Similarity | NPC469739 |
0.5846 | Remote Similarity | NPC239754 |
0.5833 | Remote Similarity | NPC193975 |
0.5821 | Remote Similarity | NPC145311 |
0.5816 | Remote Similarity | NPC152718 |
0.5816 | Remote Similarity | NPC226509 |
0.5811 | Remote Similarity | NPC328311 |
0.5811 | Remote Similarity | NPC235242 |
0.5802 | Remote Similarity | NPC130016 |
0.5802 | Remote Similarity | NPC180015 |
0.5802 | Remote Similarity | NPC56747 |
0.5802 | Remote Similarity | NPC109576 |
0.5802 | Remote Similarity | NPC153660 |
0.58 | Remote Similarity | NPC230677 |
0.5797 | Remote Similarity | NPC281245 |
0.5797 | Remote Similarity | NPC92114 |
0.5797 | Remote Similarity | NPC208638 |
0.5789 | Remote Similarity | NPC226592 |
0.5784 | Remote Similarity | NPC133729 |
0.5783 | Remote Similarity | NPC279537 |
0.5783 | Remote Similarity | NPC263266 |
0.5781 | Remote Similarity | NPC470439 |
0.5781 | Remote Similarity | NPC86121 |
0.5775 | Remote Similarity | NPC228473 |
0.5775 | Remote Similarity | NPC275472 |
0.5769 | Remote Similarity | NPC476269 |
0.5769 | Remote Similarity | NPC99619 |
0.5769 | Remote Similarity | NPC26500 |
0.5761 | Remote Similarity | NPC473056 |
0.5758 | Remote Similarity | NPC163751 |
0.5758 | Remote Similarity | NPC110234 |
0.5758 | Remote Similarity | NPC262558 |
0.5758 | Remote Similarity | NPC100380 |
0.5758 | Remote Similarity | NPC8610 |
0.5758 | Remote Similarity | NPC474563 |
0.5758 | Remote Similarity | NPC44363 |
0.5753 | Remote Similarity | NPC34416 |
0.5747 | Remote Similarity | NPC469838 |
0.5747 | Remote Similarity | NPC469804 |
0.5747 | Remote Similarity | NPC469806 |
0.5747 | Remote Similarity | NPC469799 |
0.5747 | Remote Similarity | NPC469833 |
0.5747 | Remote Similarity | NPC469805 |
0.5745 | Remote Similarity | NPC116930 |
0.5743 | Remote Similarity | NPC45033 |
0.5738 | Remote Similarity | NPC92863 |
0.5738 | Remote Similarity | NPC155880 |
0.5735 | Remote Similarity | NPC59051 |
0.5735 | Remote Similarity | NPC224227 |
0.5714 | Remote Similarity | NPC86917 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC187315 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 |
---|---|---|---|
0.6444 | Remote Similarity | NPD5769 | Clinical (unspecified phase) |
0.6027 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.5942 | Remote Similarity | NPD3172 | Approved |
0.5857 | Remote Similarity | NPD3196 | Approved |
0.5857 | Remote Similarity | NPD4266 | Approved |
0.5857 | Remote Similarity | NPD3194 | Approved |
0.5857 | Remote Similarity | NPD3195 | Phase 2 |
0.5821 | Remote Similarity | NPD4220 | Pre-registration |
0.5714 | Remote Similarity | NPD4756 | Discovery |
0.5658 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD29 | Approved |
0.5652 | Remote Similarity | NPD28 | Approved |
0.5647 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5612 | Remote Similarity | NPD6404 | Discontinued |
0.5606 | Remote Similarity | NPD860 | Phase 2 |
PubChem CID   | 5318939 |
ChEMBL   | CHEMBL480491 |
ZINC   |
Molecular Weight:   | 293.24 |
ALogP:   | 0.0683 |
MLogP:   | 3.11 |
XLogP:   | 4.669 |
# Rotatable Bonds:   | 16 |
Polar Surface Area:   | 49.66 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 21 |