Drug Information

Drug ID:  NPD8379
Drug Name:  
Molecular Formula:  C43H66O15
Canonical SMILES:  CC(=O)OC1CC(OC2C(O)CC(OC2C)OC2C(O)CC(OC2C)OC2CCC3(C(C2)CCC2C3CC(O)C3(C2(O)CCC3C2=CC(=O)OC2)C)C)OC(C1O)C
Standard InCHI:  InChI=1S/C43H66O15/c1-20-38(49)32(55-23(4)44)18-37(52-20)58-40-22(3)54-36(17-31(40)46)57-39-21(2)53-35(16-30(39)45)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(47)42(6)27(10-12-43(28,42)50)24-13-34(48)51-19-24/h13,20-22,25-33,35-40,45-47,49-50H,7-12,14-19H2,1-6H3
Standard InCHIKey:  HWKJSYYYURVNQU-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD8379

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 NPC173555
High Similarity 1.0 NPC314535
High Similarity 0.991 NPC72260
High Similarity 0.991 NPC475556
High Similarity 0.991 NPC475629
High Similarity 0.9823 NPC208193
High Similarity 0.9823 NPC308262
High Similarity 0.9823 NPC117445
High Similarity 0.9821 NPC474908
High Similarity 0.9821 NPC475590
High Similarity 0.9821 NPC120390
High Similarity 0.9821 NPC475419
High Similarity 0.982 NPC469756
High Similarity 0.982 NPC55532
High Similarity 0.982 NPC32177
High Similarity 0.982 NPC236973
High Similarity 0.982 NPC30483
High Similarity 0.982 NPC470897
High Similarity 0.982 NPC292467
High Similarity 0.9735 NPC74259
High Similarity 0.9735 NPC264336
High Similarity 0.9735 NPC193893
High Similarity 0.9735 NPC474423
High Similarity 0.9732 NPC474466
High Similarity 0.9732 NPC475136
High Similarity 0.9646 NPC475219
High Similarity 0.9646 NPC231518
High Similarity 0.9646 NPC40749
High Similarity 0.9643 NPC329905
High Similarity 0.964 NPC84987
High Similarity 0.964 NPC196429
High Similarity 0.964 NPC158344
High Similarity 0.964 NPC309034
High Similarity 0.964 NPC157376
High Similarity 0.964 NPC471354
High Similarity 0.964 NPC473852
High Similarity 0.964 NPC50305
High Similarity 0.964 NPC99728
High Similarity 0.964 NPC471355
High Similarity 0.964 NPC471351
High Similarity 0.964 NPC77319
High Similarity 0.964 NPC244402
High Similarity 0.964 NPC87250
High Similarity 0.964 NPC142066
High Similarity 0.964 NPC27507
High Similarity 0.964 NPC474418
High Similarity 0.964 NPC93883
High Similarity 0.964 NPC243196
High Similarity 0.964 NPC34390
High Similarity 0.964 NPC471353
High Similarity 0.9554 NPC83287
High Similarity 0.955 NPC193382
High Similarity 0.955 NPC5311
High Similarity 0.955 NPC99620
High Similarity 0.955 NPC199428
High Similarity 0.955 NPC310341
High Similarity 0.9469 NPC304260
High Similarity 0.9469 NPC44899
High Similarity 0.9469 NPC5883
High Similarity 0.9469 NPC29639
High Similarity 0.9464 NPC152615
High Similarity 0.9459 NPC84949
High Similarity 0.9459 NPC471633
High Similarity 0.9459 NPC69576
High Similarity 0.9459 NPC31354
High Similarity 0.9386 NPC107607
High Similarity 0.9381 NPC218093
High Similarity 0.9298 NPC81222
High Similarity 0.9298 NPC291820
High Similarity 0.9292 NPC290693
High Similarity 0.9292 NPC203862
High Similarity 0.9237 NPC329784
High Similarity 0.9237 NPC240070
High Similarity 0.9217 NPC135369
High Similarity 0.9098 NPC329636
High Similarity 0.9083 NPC188234
High Similarity 0.9083 NPC232785
High Similarity 0.9083 NPC276838
High Similarity 0.9083 NPC140092
High Similarity 0.9083 NPC329986
High Similarity 0.9083 NPC125077
High Similarity 0.906 NPC115349
High Similarity 0.9043 NPC160888
High Similarity 0.9043 NPC475403
High Similarity 0.9024 NPC194716
High Similarity 0.9016 NPC477709
High Similarity 0.9016 NPC247190
High Similarity 0.9016 NPC116075
High Similarity 0.9016 NPC476221
High Similarity 0.9016 NPC32793
High Similarity 0.9016 NPC469749
High Similarity 0.9016 NPC146857
High Similarity 0.9009 NPC475030
High Similarity 0.8983 NPC27363
High Similarity 0.8966 NPC476085
High Similarity 0.8966 NPC195560
High Similarity 0.8966 NPC229962
High Similarity 0.8966 NPC473633
High Similarity 0.8957 NPC20979
High Similarity 0.8957 NPC476690
High Similarity 0.8957 NPC100048
High Similarity 0.8952 NPC329675
High Similarity 0.8934 NPC93416
High Similarity 0.8919 NPC38217
High Similarity 0.8919 NPC472988
High Similarity 0.8917 NPC471357
High Similarity 0.8917 NPC471356
High Similarity 0.8917 NPC117702
High Similarity 0.8917 NPC469757
High Similarity 0.8917 NPC179412
High Similarity 0.8917 NPC146456
High Similarity 0.8898 NPC43842
High Similarity 0.8889 NPC50689
High Similarity 0.8889 NPC198325
High Similarity 0.8889 NPC233391
High Similarity 0.8889 NPC470312
High Similarity 0.8889 NPC207243
High Similarity 0.8879 NPC10366
High Similarity 0.887 NPC207637
High Similarity 0.8852 NPC159338
High Similarity 0.8852 NPC253456
High Similarity 0.8852 NPC16569
High Similarity 0.885 NPC65167
High Similarity 0.885 NPC114188
High Similarity 0.8839 NPC43976
High Similarity 0.8839 NPC296761
High Similarity 0.8839 NPC154085
High Similarity 0.8839 NPC125361
High Similarity 0.8839 NPC51925
High Similarity 0.8833 NPC179261
High Similarity 0.8833 NPC250556
High Similarity 0.8833 NPC469750
High Similarity 0.8829 NPC234160
High Similarity 0.8824 NPC202261
High Similarity 0.8824 NPC106589
High Similarity 0.8824 NPC257207
High Similarity 0.8824 NPC295133
High Similarity 0.8803 NPC153085
High Similarity 0.8803 NPC268326
High Similarity 0.88 NPC59288
High Similarity 0.878 NPC19124
High Similarity 0.878 NPC42670
High Similarity 0.8772 NPC112274
High Similarity 0.877 NPC469753
High Similarity 0.877 NPC469755
High Similarity 0.877 NPC471352
High Similarity 0.877 NPC197707
High Similarity 0.877 NPC10823
High Similarity 0.877 NPC471361
High Similarity 0.877 NPC251866
High Similarity 0.877 NPC180079
High Similarity 0.877 NPC70542
High Similarity 0.877 NPC17896
High Similarity 0.877 NPC9499
High Similarity 0.877 NPC284406
High Similarity 0.877 NPC469754
High Similarity 0.877 NPC471360
High Similarity 0.877 NPC471359
High Similarity 0.877 NPC89514
High Similarity 0.877 NPC219085
High Similarity 0.877 NPC6108
High Similarity 0.877 NPC469751
High Similarity 0.877 NPC91
High Similarity 0.877 NPC471358
High Similarity 0.877 NPC86159
High Similarity 0.877 NPC469752
High Similarity 0.8739 NPC473199
High Similarity 0.8718 NPC475357
High Similarity 0.871 NPC225385
High Similarity 0.871 NPC298783
High Similarity 0.871 NPC157817
High Similarity 0.871 NPC104585
High Similarity 0.871 NPC142756
High Similarity 0.8707 NPC148965
High Similarity 0.8707 NPC63609
High Similarity 0.8707 NPC146652
High Similarity 0.8696 NPC144068
High Similarity 0.8696 NPC51154
High Similarity 0.8684 NPC472987
High Similarity 0.8684 NPC13190
High Similarity 0.8684 NPC473021
High Similarity 0.8673 NPC157530
High Similarity 0.8673 NPC14630
High Similarity 0.8673 NPC250089
High Similarity 0.8661 NPC231340
High Similarity 0.8661 NPC473469
High Similarity 0.8632 NPC477807
High Similarity 0.8621 NPC11548
High Similarity 0.8609 NPC216595
High Similarity 0.8609 NPC475354
High Similarity 0.8609 NPC473567
High Similarity 0.8596 NPC170974
High Similarity 0.8596 NPC191439
High Similarity 0.8596 NPC103627
High Similarity 0.8584 NPC295980
High Similarity 0.8584 NPC220427
High Similarity 0.8583 NPC471082
High Similarity 0.8571 NPC269627
High Similarity 0.8571 NPC476127
High Similarity 0.8571 NPC194842

Drug Structure

External Identifiers

TTD   DNAP001594
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   417452
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  822.44
ALogP  -3.2991
MLogP  4.54
XLogP  2.485
HDA  15
HBD  5
Rotatable Bonds  20
TPSA  209.13
RO5 Violation  1