Drug Information

Drug ID:  NPD7054
Drug Name:  Diosmin
Molecular Formula:  C28H32O15
Canonical SMILES:  COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI:  InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
Standard InCHIKey:  GZSOSUNBTXMUFQ-YFAPSIMESA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7054

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 NPC195257
High Similarity 1.0 NPC209296
High Similarity 0.9874 NPC86008
High Similarity 0.9873 NPC115674
High Similarity 0.9873 NPC210073
High Similarity 0.9814 NPC204693
High Similarity 0.9814 NPC208668
High Similarity 0.9812 NPC79056
High Similarity 0.9812 NPC231194
High Similarity 0.9812 NPC177731
High Similarity 0.9812 NPC44328
High Similarity 0.9812 NPC51326
High Similarity 0.9812 NPC105095
High Similarity 0.981 NPC22832
High Similarity 0.981 NPC284277
High Similarity 0.981 NPC475366
High Similarity 0.981 NPC475497
High Similarity 0.981 NPC311830
High Similarity 0.9753 NPC16194
High Similarity 0.9753 NPC220173
High Similarity 0.9753 NPC19108
High Similarity 0.9753 NPC476472
High Similarity 0.9753 NPC294815
High Similarity 0.9753 NPC198199
High Similarity 0.9753 NPC473327
High Similarity 0.9752 NPC180918
High Similarity 0.9752 NPC256760
High Similarity 0.975 NPC293629
High Similarity 0.975 NPC43587
High Similarity 0.9748 NPC236934
High Similarity 0.9748 NPC8856
High Similarity 0.9748 NPC5778
High Similarity 0.9747 NPC222936
High Similarity 0.9747 NPC309025
High Similarity 0.9747 NPC270335
High Similarity 0.9747 NPC243930
High Similarity 0.9747 NPC88023
High Similarity 0.9747 NPC19709
High Similarity 0.9747 NPC284960
High Similarity 0.9747 NPC191306
High Similarity 0.9689 NPC67105
High Similarity 0.9689 NPC150767
High Similarity 0.9689 NPC95866
High Similarity 0.9689 NPC285197
High Similarity 0.9689 NPC78734
High Similarity 0.9688 NPC229729
High Similarity 0.9686 NPC15358
High Similarity 0.9684 NPC189142
High Similarity 0.9684 NPC473043
High Similarity 0.9684 NPC77660
High Similarity 0.9634 NPC89052
High Similarity 0.9634 NPC173837
High Similarity 0.9634 NPC120952
High Similarity 0.9634 NPC251417
High Similarity 0.963 NPC471725
High Similarity 0.963 NPC3583
High Similarity 0.963 NPC26230
High Similarity 0.963 NPC60735
High Similarity 0.963 NPC134532
High Similarity 0.963 NPC155877
High Similarity 0.963 NPC261254
High Similarity 0.963 NPC471748
High Similarity 0.963 NPC259152
High Similarity 0.963 NPC203259
High Similarity 0.963 NPC176740
High Similarity 0.963 NPC33054
High Similarity 0.9627 NPC219904
High Similarity 0.9627 NPC229687
High Similarity 0.9627 NPC223747
High Similarity 0.9627 NPC226294
High Similarity 0.9627 NPC227508
High Similarity 0.9627 NPC201292
High Similarity 0.9627 NPC120099
High Similarity 0.9627 NPC58053
High Similarity 0.9627 NPC475942
High Similarity 0.9627 NPC45638
High Similarity 0.9627 NPC105283
High Similarity 0.9627 NPC186807
High Similarity 0.9627 NPC93337
High Similarity 0.9627 NPC225434
High Similarity 0.9627 NPC469931
High Similarity 0.9627 NPC203050
High Similarity 0.9627 NPC105025
High Similarity 0.9625 NPC197285
High Similarity 0.9625 NPC21100
High Similarity 0.9623 NPC29830
High Similarity 0.9623 NPC168822
High Similarity 0.962 NPC182045
High Similarity 0.9576 NPC126784
High Similarity 0.9576 NPC470444
High Similarity 0.9576 NPC470443
High Similarity 0.9576 NPC110941
High Similarity 0.9576 NPC192539
High Similarity 0.9576 NPC241423
High Similarity 0.9576 NPC473571
High Similarity 0.9576 NPC473682
High Similarity 0.9573 NPC169733
High Similarity 0.9573 NPC292019
High Similarity 0.9573 NPC202908
High Similarity 0.9573 NPC122467
High Similarity 0.9573 NPC89127
High Similarity 0.9573 NPC255799
High Similarity 0.9573 NPC48984
High Similarity 0.9573 NPC219043
High Similarity 0.9573 NPC14187
High Similarity 0.9573 NPC471669
High Similarity 0.9571 NPC472993
High Similarity 0.9571 NPC51774
High Similarity 0.9571 NPC25724
High Similarity 0.9571 NPC236191
High Similarity 0.9571 NPC239549
High Similarity 0.9568 NPC255157
High Similarity 0.9568 NPC206123
High Similarity 0.9568 NPC21190
High Similarity 0.9568 NPC254855
High Similarity 0.9568 NPC67326
High Similarity 0.9568 NPC29958
High Similarity 0.9568 NPC183357
High Similarity 0.9568 NPC156869
High Similarity 0.9568 NPC259896
High Similarity 0.9568 NPC218488
High Similarity 0.9568 NPC22195
High Similarity 0.9568 NPC136042
High Similarity 0.9565 NPC84362
High Similarity 0.9565 NPC52550
High Similarity 0.9565 NPC58716
High Similarity 0.9565 NPC226304
High Similarity 0.9565 NPC317489
High Similarity 0.9565 NPC275454
High Similarity 0.9565 NPC127546
High Similarity 0.9565 NPC265530
High Similarity 0.9565 NPC477502
High Similarity 0.9565 NPC173637
High Similarity 0.9565 NPC45400
High Similarity 0.9565 NPC146792
High Similarity 0.9565 NPC45618
High Similarity 0.9565 NPC325555
High Similarity 0.9565 NPC223424
High Similarity 0.9563 NPC277205
High Similarity 0.956 NPC300537
High Similarity 0.956 NPC127782
High Similarity 0.9557 NPC110349
High Similarity 0.9512 NPC102028
High Similarity 0.9512 NPC294629
High Similarity 0.9512 NPC142996
High Similarity 0.9509 NPC475155
High Similarity 0.9509 NPC117260
High Similarity 0.9509 NPC254540
High Similarity 0.9509 NPC153755
High Similarity 0.9509 NPC211594
High Similarity 0.9509 NPC172807
High Similarity 0.9509 NPC235575
High Similarity 0.9509 NPC476405
High Similarity 0.9509 NPC205076
High Similarity 0.9509 NPC301683
High Similarity 0.9509 NPC48773
High Similarity 0.9509 NPC267254
High Similarity 0.9509 NPC307518
High Similarity 0.9506 NPC61791
High Similarity 0.9506 NPC170675
High Similarity 0.9506 NPC52382
High Similarity 0.9506 NPC270578
High Similarity 0.9506 NPC95855
High Similarity 0.9506 NPC210042
High Similarity 0.9506 NPC472381
High Similarity 0.9506 NPC471457
High Similarity 0.9506 NPC472383
High Similarity 0.9506 NPC112755
High Similarity 0.9503 NPC179950
High Similarity 0.9503 NPC99957
High Similarity 0.9503 NPC88789
High Similarity 0.9503 NPC56077
High Similarity 0.9503 NPC276222
High Similarity 0.9503 NPC253662
High Similarity 0.9503 NPC308404
High Similarity 0.9503 NPC73855
High Similarity 0.9503 NPC118284
High Similarity 0.9503 NPC135599
High Similarity 0.9503 NPC328940
High Similarity 0.9503 NPC113968
High Similarity 0.9503 NPC274618
High Similarity 0.9503 NPC277174
High Similarity 0.9503 NPC181616
High Similarity 0.9503 NPC145038
High Similarity 0.9503 NPC281131
High Similarity 0.95 NPC88043
High Similarity 0.9494 NPC473634
High Similarity 0.9494 NPC138811
High Similarity 0.9494 NPC22062
High Similarity 0.9461 NPC473072
High Similarity 0.9461 NPC470449
High Similarity 0.9461 NPC470447
High Similarity 0.9461 NPC470445
High Similarity 0.9461 NPC470446
High Similarity 0.9458 NPC471030
High Similarity 0.9455 NPC473862
High Similarity 0.9455 NPC65563
High Similarity 0.9455 NPC8573
High Similarity 0.9455 NPC470949
High Similarity 0.9451 NPC101026

Drug Structure

External Identifiers

TTD   DIB015075
DrugBank   DB08995
ChEMBL   CHEMBL231884
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D07858
PubChem CID  
ChEBI   4631
CAS Number  520-27-4

Drug Properties

Molecular Weight  608.17
ALogP  -4.9301
MLogP  2.89
XLogP  -0.819
HDA  10
HBD  8
Rotatable Bonds  17
TPSA  234.29
RO5 Violation  1