Drug ID:   | NPD2801 |
Drug Name:   | |
Molecular Formula:   | C18H16O7 |
Canonical SMILES:   | COc1cc(ccc1OC)c1cc(=O)c2c(o1)cc(c(c2O)OC)O |
Standard InCHI:   | InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3 |
Standard InCHIKey:   | DRRWBCNQOKKKOL-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD |
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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
High Similarity | 1.0 | NPC274327 |
High Similarity | 1.0 | NPC22519 |
High Similarity | 1.0 | NPC69394 |
High Similarity | 1.0 | NPC231018 |
High Similarity | 1.0 | NPC255350 |
High Similarity | 1.0 | NPC176775 |
High Similarity | 1.0 | NPC145379 |
High Similarity | 1.0 | NPC160951 |
High Similarity | 1.0 | NPC47781 |
High Similarity | 1.0 | NPC183878 |
High Similarity | 0.9932 | NPC131624 |
High Similarity | 0.9932 | NPC256612 |
High Similarity | 0.9932 | NPC71334 |
High Similarity | 0.9932 | NPC239128 |
High Similarity | 0.9932 | NPC213622 |
High Similarity | 0.9932 | NPC156222 |
High Similarity | 0.9932 | NPC138360 |
High Similarity | 0.9932 | NPC187498 |
High Similarity | 0.9932 | NPC162313 |
High Similarity | 0.9932 | NPC183597 |
High Similarity | 0.9932 | NPC188203 |
High Similarity | 0.9932 | NPC275722 |
High Similarity | 0.9932 | NPC128863 |
High Similarity | 0.9932 | NPC146165 |
High Similarity | 0.9932 | NPC92659 |
High Similarity | 0.9932 | NPC83508 |
High Similarity | 0.9932 | NPC100887 |
High Similarity | 0.9932 | NPC163780 |
High Similarity | 0.9932 | NPC20830 |
High Similarity | 0.9932 | NPC301323 |
High Similarity | 0.9932 | NPC201136 |
High Similarity | 0.9932 | NPC275836 |
High Similarity | 0.9932 | NPC293183 |
High Similarity | 0.9932 | NPC50715 |
High Similarity | 0.9932 | NPC57030 |
High Similarity | 0.9932 | NPC222830 |
High Similarity | 0.9932 | NPC120163 |
High Similarity | 0.9932 | NPC256283 |
High Similarity | 0.9932 | NPC25270 |
High Similarity | 0.9932 | NPC2476 |
High Similarity | 0.9932 | NPC196439 |
High Similarity | 0.9932 | NPC167815 |
High Similarity | 0.9932 | NPC198826 |
High Similarity | 0.9932 | NPC4455 |
High Similarity | 0.9932 | NPC280339 |
High Similarity | 0.9932 | NPC212678 |
High Similarity | 0.9932 | NPC227325 |
High Similarity | 0.9932 | NPC241498 |
High Similarity | 0.9865 | NPC49824 |
High Similarity | 0.9864 | NPC250822 |
High Similarity | 0.9864 | NPC276409 |
High Similarity | 0.9864 | NPC75279 |
High Similarity | 0.9863 | NPC208043 |
High Similarity | 0.9863 | NPC226973 |
High Similarity | 0.9799 | NPC75215 |
High Similarity | 0.9799 | NPC93376 |
High Similarity | 0.9799 | NPC110070 |
High Similarity | 0.9799 | NPC227192 |
High Similarity | 0.9799 | NPC189179 |
High Similarity | 0.9799 | NPC470402 |
High Similarity | 0.9799 | NPC203891 |
High Similarity | 0.9799 | NPC224137 |
High Similarity | 0.9799 | NPC101830 |
High Similarity | 0.9797 | NPC208197 |
High Similarity | 0.9797 | NPC201451 |
High Similarity | 0.9797 | NPC44079 |
High Similarity | 0.9797 | NPC26227 |
High Similarity | 0.9796 | NPC60972 |
High Similarity | 0.9796 | NPC142540 |
High Similarity | 0.9796 | NPC39732 |
High Similarity | 0.9795 | NPC306821 |
High Similarity | 0.9795 | NPC184136 |
High Similarity | 0.9733 | NPC7846 |
High Similarity | 0.9733 | NPC25495 |
High Similarity | 0.9733 | NPC261004 |
High Similarity | 0.9733 | NPC18772 |
High Similarity | 0.9733 | NPC130894 |
High Similarity | 0.9733 | NPC105242 |
High Similarity | 0.9733 | NPC300943 |
High Similarity | 0.9733 | NPC204854 |
High Similarity | 0.9733 | NPC152166 |
High Similarity | 0.9733 | NPC115798 |
High Similarity | 0.9733 | NPC9609 |
High Similarity | 0.9733 | NPC191459 |
High Similarity | 0.9733 | NPC22472 |
High Similarity | 0.9733 | NPC18607 |
High Similarity | 0.9733 | NPC19687 |
High Similarity | 0.9733 | NPC143828 |
High Similarity | 0.9733 | NPC4481 |
High Similarity | 0.9733 | NPC176300 |
High Similarity | 0.9733 | NPC253634 |
High Similarity | 0.9733 | NPC288669 |
High Similarity | 0.9732 | NPC266960 |
High Similarity | 0.9732 | NPC98661 |
High Similarity | 0.9732 | NPC43243 |
High Similarity | 0.9732 | NPC247017 |
High Similarity | 0.9732 | NPC474520 |
High Similarity | 0.9732 | NPC472916 |
High Similarity | 0.9732 | NPC292107 |
High Similarity | 0.9732 | NPC245546 |
High Similarity | 0.973 | NPC86485 |
High Similarity | 0.9728 | NPC308451 |
High Similarity | 0.9726 | NPC223579 |
High Similarity | 0.9726 | NPC328119 |
High Similarity | 0.9726 | NPC183950 |
High Similarity | 0.9726 | NPC48479 |
High Similarity | 0.9726 | NPC296197 |
High Similarity | 0.9726 | NPC216318 |
High Similarity | 0.9726 | NPC177298 |
High Similarity | 0.9726 | NPC287101 |
High Similarity | 0.9726 | NPC17286 |
High Similarity | 0.9726 | NPC259713 |
High Similarity | 0.9726 | NPC52005 |
High Similarity | 0.9726 | NPC137062 |
High Similarity | 0.9669 | NPC476980 |
High Similarity | 0.9667 | NPC472914 |
High Similarity | 0.9667 | NPC78225 |
High Similarity | 0.9667 | NPC29841 |
High Similarity | 0.9667 | NPC48208 |
High Similarity | 0.9667 | NPC96167 |
High Similarity | 0.9667 | NPC472913 |
High Similarity | 0.9667 | NPC176665 |
High Similarity | 0.9667 | NPC475267 |
High Similarity | 0.9667 | NPC163524 |
High Similarity | 0.9667 | NPC474836 |
High Similarity | 0.9667 | NPC472911 |
High Similarity | 0.9667 | NPC472438 |
High Similarity | 0.9667 | NPC78302 |
High Similarity | 0.9667 | NPC472910 |
High Similarity | 0.9667 | NPC235215 |
High Similarity | 0.9667 | NPC245758 |
High Similarity | 0.9667 | NPC287979 |
High Similarity | 0.9667 | NPC474208 |
High Similarity | 0.9667 | NPC222814 |
High Similarity | 0.9667 | NPC162869 |
High Similarity | 0.9667 | NPC7973 |
High Similarity | 0.9667 | NPC156057 |
High Similarity | 0.9667 | NPC305663 |
High Similarity | 0.9664 | NPC2928 |
High Similarity | 0.9664 | NPC32557 |
High Similarity | 0.9664 | NPC189960 |
High Similarity | 0.9662 | NPC301123 |
High Similarity | 0.9662 | NPC120537 |
High Similarity | 0.9662 | NPC199100 |
High Similarity | 0.9662 | NPC180234 |
High Similarity | 0.966 | NPC45873 |
High Similarity | 0.9658 | NPC195202 |
High Similarity | 0.9658 | NPC120464 |
High Similarity | 0.9605 | NPC258331 |
High Similarity | 0.9603 | NPC193842 |
High Similarity | 0.96 | NPC68093 |
High Similarity | 0.96 | NPC191146 |
High Similarity | 0.96 | NPC55619 |
High Similarity | 0.96 | NPC268161 |
High Similarity | 0.96 | NPC200388 |
High Similarity | 0.96 | NPC100916 |
High Similarity | 0.96 | NPC235165 |
High Similarity | 0.96 | NPC178854 |
High Similarity | 0.96 | NPC265511 |
High Similarity | 0.96 | NPC255106 |
High Similarity | 0.9597 | NPC167091 |
High Similarity | 0.9597 | NPC124714 |
High Similarity | 0.9597 | NPC271779 |
High Similarity | 0.9597 | NPC236223 |
High Similarity | 0.9597 | NPC292214 |
High Similarity | 0.9597 | NPC78326 |
High Similarity | 0.9597 | NPC270620 |
High Similarity | 0.9597 | NPC280937 |
High Similarity | 0.9597 | NPC206238 |
High Similarity | 0.9597 | NPC472915 |
High Similarity | 0.9597 | NPC88645 |
High Similarity | 0.9597 | NPC179126 |
High Similarity | 0.9595 | NPC117579 |
High Similarity | 0.9595 | NPC225731 |
High Similarity | 0.9595 | NPC252933 |
High Similarity | 0.9595 | NPC200740 |
High Similarity | 0.9595 | NPC125062 |
High Similarity | 0.9595 | NPC54394 |
High Similarity | 0.9592 | NPC102003 |
High Similarity | 0.9592 | NPC92722 |
High Similarity | 0.9589 | NPC33265 |
High Similarity | 0.9589 | NPC130230 |
High Similarity | 0.9589 | NPC30647 |
High Similarity | 0.9589 | NPC61871 |
High Similarity | 0.9589 | NPC55557 |
High Similarity | 0.9589 | NPC12200 |
High Similarity | 0.9589 | NPC108406 |
High Similarity | 0.9589 | NPC62536 |
High Similarity | 0.9589 | NPC275772 |
High Similarity | 0.9589 | NPC239312 |
High Similarity | 0.9542 | NPC472448 |
High Similarity | 0.9542 | NPC83922 |
High Similarity | 0.9539 | NPC246478 |
High Similarity | 0.9539 | NPC204290 |
High Similarity | 0.9536 | NPC241904 |
High Similarity | 0.9536 | NPC476981 |
High Similarity | 0.9536 | NPC469584 |
High Similarity | 0.9536 | NPC262286 |
High Similarity | 0.9536 | NPC36852 |
High Similarity | 0.9536 | NPC210084 |
TTD   | DNAP001644 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 5273755 |
ChEBI   | |
CAS Number   |
Molecular Weight   | 344.09 |
ALogP   | -1.5796 |
MLogP   | 2.67 |
XLogP   | 1.198 |
HDA   | 1 |
HBD   | 2 |
Rotatable Bonds   | 9 |
TPSA   | 94.45 |
RO5 Violation   | 0 |