Drug Information

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

  Structural Similarity Between NPASS Natural Products and NPD2801

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.


  Similar Natural Products

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

Drug Structure

External Identifiers

TTD   DNAP001644
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5273755
ChEBI  
CAS Number  

Drug Properties

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