Drug Information

Drug ID:  NPD7808
Drug Name:  Troxerutin
Molecular Formula:  C33H42O19
Canonical SMILES:  OCCOc1cc(O)c2c(c1)oc(c(c2=O)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)c1ccc(c(c1)OCCO)OCCO
Standard InCHI:  InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1
Standard InCHIKey:  IYVFNTXFRYQLRP-VVSTWUKXSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7808

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 0.9939 NPC48984
High Similarity 0.9878 NPC251417
High Similarity 0.9878 NPC89052
High Similarity 0.9877 NPC16194
High Similarity 0.9877 NPC19108
High Similarity 0.9877 NPC220173
High Similarity 0.9877 NPC476472
High Similarity 0.9877 NPC473327
High Similarity 0.9877 NPC294815
High Similarity 0.9818 NPC192539
High Similarity 0.9817 NPC14187
High Similarity 0.9817 NPC292019
High Similarity 0.9817 NPC122467
High Similarity 0.9817 NPC219043
High Similarity 0.9817 NPC202908
High Similarity 0.9758 NPC173837
High Similarity 0.9755 NPC134532
High Similarity 0.9755 NPC203259
High Similarity 0.9755 NPC26230
High Similarity 0.9755 NPC471725
High Similarity 0.9755 NPC176740
High Similarity 0.9755 NPC155877
High Similarity 0.9755 NPC471748
High Similarity 0.9755 NPC60735
High Similarity 0.9755 NPC33054
High Similarity 0.9699 NPC241423
High Similarity 0.9699 NPC473682
High Similarity 0.9699 NPC110941
High Similarity 0.9699 NPC470443
High Similarity 0.9699 NPC126784
High Similarity 0.9699 NPC473571
High Similarity 0.9699 NPC470444
High Similarity 0.9697 NPC473862
High Similarity 0.9697 NPC471669
High Similarity 0.9697 NPC89127
High Similarity 0.9693 NPC255157
High Similarity 0.9693 NPC95866
High Similarity 0.9693 NPC254855
High Similarity 0.9693 NPC29958
High Similarity 0.9693 NPC136042
High Similarity 0.9693 NPC67326
High Similarity 0.9693 NPC285197
High Similarity 0.9693 NPC67105
High Similarity 0.9693 NPC259896
High Similarity 0.9693 NPC156869
High Similarity 0.9643 NPC21359
High Similarity 0.9643 NPC470720
High Similarity 0.9643 NPC470451
High Similarity 0.9643 NPC460984
High Similarity 0.9643 NPC470455
High Similarity 0.9643 NPC470717
High Similarity 0.9643 NPC470713
High Similarity 0.9643 NPC25946
High Similarity 0.9636 NPC198199
High Similarity 0.9634 NPC180918
High Similarity 0.9632 NPC209296
High Similarity 0.9632 NPC225434
High Similarity 0.9632 NPC86008
High Similarity 0.9632 NPC219904
High Similarity 0.9632 NPC223747
High Similarity 0.9632 NPC227508
High Similarity 0.9632 NPC120099
High Similarity 0.9632 NPC203050
High Similarity 0.9632 NPC195257
High Similarity 0.9586 NPC295625
High Similarity 0.9586 NPC470719
High Similarity 0.9586 NPC473554
High Similarity 0.9583 NPC470445
High Similarity 0.9583 NPC162394
High Similarity 0.9583 NPC473072
High Similarity 0.9583 NPC241781
High Similarity 0.9583 NPC470447
High Similarity 0.9583 NPC156785
High Similarity 0.9583 NPC470718
High Similarity 0.9583 NPC470449
High Similarity 0.9583 NPC470446
High Similarity 0.9578 NPC169733
High Similarity 0.9578 NPC65563
High Similarity 0.9578 NPC8573
High Similarity 0.9578 NPC470949
High Similarity 0.9573 NPC206123
High Similarity 0.9571 NPC275454
High Similarity 0.9571 NPC127546
High Similarity 0.9571 NPC317489
High Similarity 0.9571 NPC325555
High Similarity 0.9571 NPC173637
High Similarity 0.9571 NPC223424
High Similarity 0.9571 NPC265530
High Similarity 0.9571 NPC52550
High Similarity 0.9571 NPC84362
High Similarity 0.9571 NPC226304
High Similarity 0.9568 NPC475497
High Similarity 0.9568 NPC15358
High Similarity 0.9568 NPC284277
High Similarity 0.9568 NPC475366
High Similarity 0.9527 NPC249560
High Similarity 0.9527 NPC223860
High Similarity 0.9527 NPC275977
High Similarity 0.9527 NPC148710
High Similarity 0.9524 NPC473071
High Similarity 0.9524 NPC473073
High Similarity 0.9521 NPC120952
High Similarity 0.9521 NPC477895
High Similarity 0.9518 NPC253685
High Similarity 0.9518 NPC294629
High Similarity 0.9515 NPC153755
High Similarity 0.9512 NPC52382
High Similarity 0.9512 NPC293629
High Similarity 0.9512 NPC270578
High Similarity 0.9509 NPC179950
High Similarity 0.9509 NPC118284
High Similarity 0.9509 NPC135599
High Similarity 0.9509 NPC115674
High Similarity 0.9509 NPC56077
High Similarity 0.9509 NPC276222
High Similarity 0.9509 NPC253662
High Similarity 0.9509 NPC21100
High Similarity 0.9509 NPC203145
High Similarity 0.9509 NPC308404
High Similarity 0.9509 NPC476470
High Similarity 0.9509 NPC12013
High Similarity 0.9509 NPC477613
High Similarity 0.9509 NPC186816
High Similarity 0.9509 NPC328940
High Similarity 0.9509 NPC88789
High Similarity 0.9509 NPC197285
High Similarity 0.9509 NPC189564
High Similarity 0.9509 NPC32641
High Similarity 0.9509 NPC113968
High Similarity 0.9509 NPC221342
High Similarity 0.9509 NPC274618
High Similarity 0.9509 NPC142142
High Similarity 0.9509 NPC277174
High Similarity 0.9509 NPC145038
High Similarity 0.9509 NPC256188
High Similarity 0.9509 NPC210073
High Similarity 0.9509 NPC73855
High Similarity 0.9509 NPC8856
High Similarity 0.9509 NPC281131
High Similarity 0.9509 NPC11432
High Similarity 0.9506 NPC88023
High Similarity 0.9506 NPC243930
High Similarity 0.9506 NPC309025
High Similarity 0.9471 NPC104910
High Similarity 0.9471 NPC33083
High Similarity 0.9471 NPC474093
High Similarity 0.9461 NPC255799
High Similarity 0.9458 NPC101026
High Similarity 0.9458 NPC42773
High Similarity 0.9458 NPC4390
High Similarity 0.9458 NPC45522
High Similarity 0.9458 NPC25724
High Similarity 0.9458 NPC21666
High Similarity 0.9458 NPC24043
High Similarity 0.9458 NPC208668
High Similarity 0.9458 NPC169977
High Similarity 0.9458 NPC204693
High Similarity 0.9455 NPC244776
High Similarity 0.9455 NPC105095
High Similarity 0.9455 NPC116864
High Similarity 0.9455 NPC51326
High Similarity 0.9455 NPC44328
High Similarity 0.9455 NPC177731
High Similarity 0.9455 NPC79056
High Similarity 0.9455 NPC231194
High Similarity 0.9451 NPC160156
High Similarity 0.9451 NPC92565
High Similarity 0.9448 NPC289667
High Similarity 0.9448 NPC292929
High Similarity 0.9448 NPC311830
High Similarity 0.9448 NPC277205
High Similarity 0.9448 NPC22832
High Similarity 0.9448 NPC19388
High Similarity 0.9448 NPC287889
High Similarity 0.9448 NPC135358
High Similarity 0.9448 NPC55786
High Similarity 0.9448 NPC240431
High Similarity 0.9448 NPC76831
High Similarity 0.9444 NPC240306
High Similarity 0.9415 NPC64755
High Similarity 0.9415 NPC30011
High Similarity 0.9415 NPC97817
High Similarity 0.9415 NPC475179
High Similarity 0.9415 NPC72554
High Similarity 0.9405 NPC139571
High Similarity 0.9405 NPC217520
High Similarity 0.9401 NPC264735
High Similarity 0.9401 NPC102028
High Similarity 0.9398 NPC175107
High Similarity 0.9398 NPC256760
High Similarity 0.9398 NPC190003
High Similarity 0.9398 NPC3583
High Similarity 0.9398 NPC476405
High Similarity 0.9398 NPC259152
High Similarity 0.9398 NPC245452
High Similarity 0.9398 NPC117260
High Similarity 0.9394 NPC5319
High Similarity 0.9394 NPC105283
High Similarity 0.9394 NPC476180
High Similarity 0.9394 NPC43587

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  742.23
ALogP  -6.5317
MLogP  3
XLogP  -2.187
HDA  14
HBD  10
Rotatable Bonds  26
TPSA  293.21
RO5 Violation  3