Drug Information

Drug ID:  NPD5402
Drug Name:  
Molecular Formula:  C23H16O11
Canonical SMILES:  OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1ccc2c(c1)c(=O)cc(o2)C(=O)O
Standard InCHI:  InChI=1S/C23H16O11/c24-11(9-31-12-4-5-16-13(6-12)14(25)7-19(33-16)22(27)28)10-32-17-2-1-3-18-21(17)15(26)8-20(34-18)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)
Standard InCHIKey:  FSINDHDHRQZTPH-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD5402

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 0.8846 NPC473241
High Similarity 0.8841 NPC115760
High Similarity 0.8841 NPC101191
High Similarity 0.8841 NPC49344
High Similarity 0.8841 NPC210094
High Similarity 0.8841 NPC264735
High Similarity 0.8841 NPC237435
High Similarity 0.8841 NPC135277
High Similarity 0.8841 NPC43211
High Similarity 0.8827 NPC280493
High Similarity 0.8805 NPC282169
High Similarity 0.8797 NPC57072
High Similarity 0.8797 NPC231475
High Similarity 0.8788 NPC472385
High Similarity 0.8788 NPC198324
High Similarity 0.8782 NPC260604
High Similarity 0.8782 NPC299435
High Similarity 0.8773 NPC155763
High Similarity 0.8773 NPC235260
High Similarity 0.8773 NPC20505
High Similarity 0.875 NPC27942
High Similarity 0.8734 NPC474401
High Similarity 0.8734 NPC476026
High Similarity 0.8734 NPC474398
High Similarity 0.8734 NPC474441
High Similarity 0.8727 NPC477848
High Similarity 0.8726 NPC276059
High Similarity 0.8726 NPC34725
High Similarity 0.8726 NPC237560
High Similarity 0.8726 NPC122623
High Similarity 0.8726 NPC241774
High Similarity 0.872 NPC190003
High Similarity 0.872 NPC175107
High Similarity 0.8712 NPC138927
High Similarity 0.8696 NPC127415
High Similarity 0.869 NPC36138
High Similarity 0.8688 NPC224530
High Similarity 0.8688 NPC85707
High Similarity 0.8688 NPC259957
High Similarity 0.8688 NPC112418
High Similarity 0.8688 NPC216496
High Similarity 0.8688 NPC48093
High Similarity 0.8688 NPC129217
High Similarity 0.8688 NPC159579
High Similarity 0.8679 NPC288669
High Similarity 0.8679 NPC261004
High Similarity 0.8679 NPC7846
High Similarity 0.8679 NPC130894
High Similarity 0.8679 NPC300943
High Similarity 0.8679 NPC4481
High Similarity 0.8679 NPC152166
High Similarity 0.8679 NPC18772
High Similarity 0.8679 NPC22472
High Similarity 0.8679 NPC9609
High Similarity 0.8679 NPC176300
High Similarity 0.8679 NPC253634
High Similarity 0.8679 NPC19687
High Similarity 0.8679 NPC204854
High Similarity 0.8679 NPC18607
High Similarity 0.8679 NPC143828
High Similarity 0.8679 NPC115798
High Similarity 0.8679 NPC193842
High Similarity 0.8679 NPC25495
High Similarity 0.8679 NPC105242
High Similarity 0.8679 NPC191459
High Similarity 0.8675 NPC211532
High Similarity 0.8675 NPC144097
High Similarity 0.8675 NPC296018
High Similarity 0.8675 NPC233994
High Similarity 0.8675 NPC472382
High Similarity 0.8675 NPC61904
High Similarity 0.8675 NPC154741
High Similarity 0.8675 NPC472380
High Similarity 0.8675 NPC268533
High Similarity 0.8675 NPC472384
High Similarity 0.8671 NPC178854
High Similarity 0.8671 NPC257277
High Similarity 0.8667 NPC42773
High Similarity 0.8667 NPC45522
High Similarity 0.8667 NPC169977
High Similarity 0.8667 NPC101026
High Similarity 0.8667 NPC4390
High Similarity 0.8667 NPC21666
High Similarity 0.8667 NPC476374
High Similarity 0.8667 NPC24043
High Similarity 0.8662 NPC230439
High Similarity 0.8662 NPC279281
High Similarity 0.8662 NPC299761
High Similarity 0.8662 NPC92153
High Similarity 0.8662 NPC268193
High Similarity 0.8659 NPC282987
High Similarity 0.8659 NPC245014
High Similarity 0.8659 NPC84265
High Similarity 0.8659 NPC244776
High Similarity 0.8659 NPC116864
High Similarity 0.865 NPC295082
High Similarity 0.8642 NPC205824
High Similarity 0.8642 NPC470457
High Similarity 0.8642 NPC129264
High Similarity 0.8642 NPC19240
High Similarity 0.8642 NPC85751
High Similarity 0.8639 NPC470416
High Similarity 0.8634 NPC471745
High Similarity 0.8631 NPC222674
High Similarity 0.8625 NPC130955
High Similarity 0.8625 NPC471976
High Similarity 0.8625 NPC471744
High Similarity 0.8623 NPC253521
High Similarity 0.8623 NPC113836
High Similarity 0.8623 NPC476773
High Similarity 0.8623 NPC37668
High Similarity 0.8623 NPC35167
High Similarity 0.8616 NPC472438
High Similarity 0.8616 NPC93376
High Similarity 0.8616 NPC29841
High Similarity 0.8616 NPC78302
High Similarity 0.8616 NPC110070
High Similarity 0.8616 NPC235215
High Similarity 0.8616 NPC305663
High Similarity 0.8616 NPC7973
High Similarity 0.8616 NPC227192
High Similarity 0.8616 NPC75215
High Similarity 0.8616 NPC189179
High Similarity 0.8616 NPC203891
High Similarity 0.8616 NPC176665
High Similarity 0.8616 NPC224137
High Similarity 0.8616 NPC163524
High Similarity 0.8616 NPC470402
High Similarity 0.8616 NPC135391
High Similarity 0.8616 NPC101830
High Similarity 0.8616 NPC133671
High Similarity 0.8616 NPC78263
High Similarity 0.8616 NPC54802
High Similarity 0.8616 NPC197304
High Similarity 0.8616 NPC287979
High Similarity 0.8616 NPC77672
High Similarity 0.8614 NPC223426
High Similarity 0.8614 NPC214621
High Similarity 0.8614 NPC34267
High Similarity 0.8614 NPC81042
High Similarity 0.8614 NPC253685
High Similarity 0.8608 NPC32557
High Similarity 0.8608 NPC470681
High Similarity 0.8608 NPC214138
High Similarity 0.8608 NPC111341
High Similarity 0.8608 NPC304745
High Similarity 0.8608 NPC189960
High Similarity 0.8606 NPC211594
High Similarity 0.8606 NPC289396
High Similarity 0.8606 NPC212038
High Similarity 0.8606 NPC172807
High Similarity 0.8606 NPC81332
High Similarity 0.8606 NPC254540
High Similarity 0.8606 NPC117260
High Similarity 0.8606 NPC476405
High Similarity 0.8606 NPC262580
High Similarity 0.8606 NPC271848
High Similarity 0.8606 NPC153755
High Similarity 0.8606 NPC476370
High Similarity 0.8599 NPC134677
High Similarity 0.8599 NPC215811
High Similarity 0.859 NPC164527
High Similarity 0.859 NPC201547
High Similarity 0.859 NPC259058
High Similarity 0.859 NPC213382
High Similarity 0.8589 NPC276222
High Similarity 0.8589 NPC308404
High Similarity 0.8589 NPC207575
High Similarity 0.8589 NPC179950
High Similarity 0.8589 NPC274618
High Similarity 0.8589 NPC118284
High Similarity 0.8589 NPC145038
High Similarity 0.8589 NPC281131
High Similarity 0.8589 NPC88789
High Similarity 0.8589 NPC56077
High Similarity 0.8589 NPC13481
High Similarity 0.8589 NPC253662
High Similarity 0.8581 NPC218569
High Similarity 0.858 NPC470459
High Similarity 0.858 NPC470447
High Similarity 0.858 NPC470449
High Similarity 0.858 NPC470446
High Similarity 0.858 NPC80068
High Similarity 0.858 NPC107987
High Similarity 0.858 NPC470445
High Similarity 0.858 NPC121703
High Similarity 0.8571 NPC217950
High Similarity 0.8571 NPC308992
High Similarity 0.8571 NPC289771
High Similarity 0.8571 NPC3629
High Similarity 0.8563 NPC472991
High Similarity 0.8563 NPC472992
High Similarity 0.8563 NPC65563
High Similarity 0.8563 NPC470949
High Similarity 0.8563 NPC8573
High Similarity 0.8562 NPC41121
High Similarity 0.8562 NPC472459
High Similarity 0.8562 NPC320283
High Similarity 0.8562 NPC43761
High Similarity 0.8562 NPC111929

Drug Structure

External Identifiers

TTD   DAP000819
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   27686
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  468.07
ALogP  -2.2825
MLogP  2.78
XLogP  1.7
HDA  7
HBD  3
Rotatable Bonds  11
TPSA  165.89
RO5 Violation  0