Drug Information

Drug ID:  NPD8132
Drug Name:  
Molecular Formula:  C38H60O11
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(=O)C)C[C@]3([C@H](C2(C)C)CCC2=C3CC[C@@]3([C@]2(C)CC(=O)[C@]([C@@H]3C(=O)O)(C)C(C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI:  InChI=1S/C38H60O11/c1-18(2)19(3)38(10)26(41)16-37(9)22-11-12-25-34(5,6)31(49-33-29(44)28(43)27(42)24(17-39)48-33)23(47-20(4)40)15-35(25,7)21(22)13-14-36(37,8)30(38)32(45)46/h18-19,23-25,27-31,33,39,42-44H,11-17H2,1-10H3,(H,45,46)/t19?,23-,24-,25+,27-,28+,29-,30-,31+,33+,35-,36+,37-,38+/m1/s1
Standard InCHIKey:  FBAPXRMZLULGNA-LEAUMUBASA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD8132

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 0.9327 NPC220984
High Similarity 0.932 NPC285576
High Similarity 0.9231 NPC137917
High Similarity 0.9151 NPC477253
High Similarity 0.9151 NPC125923
High Similarity 0.9151 NPC65590
High Similarity 0.9151 NPC64106
High Similarity 0.9151 NPC212968
High Similarity 0.9151 NPC116794
High Similarity 0.9143 NPC110139
High Similarity 0.9143 NPC7870
High Similarity 0.9143 NPC75747
High Similarity 0.9143 NPC78046
High Similarity 0.9143 NPC269095
High Similarity 0.9143 NPC68419
High Similarity 0.9143 NPC199457
High Similarity 0.9143 NPC102914
High Similarity 0.9143 NPC108709
High Similarity 0.9065 NPC271138
High Similarity 0.9065 NPC269315
High Similarity 0.9057 NPC190837
High Similarity 0.9057 NPC191763
High Similarity 0.9057 NPC179434
High Similarity 0.9048 NPC127853
High Similarity 0.9048 NPC306746
High Similarity 0.9048 NPC167383
High Similarity 0.9048 NPC204407
High Similarity 0.9048 NPC57362
High Similarity 0.9048 NPC237503
High Similarity 0.8991 NPC477252
High Similarity 0.8981 NPC475633
High Similarity 0.8972 NPC195132
High Similarity 0.8972 NPC37739
High Similarity 0.8972 NPC473383
High Similarity 0.8972 NPC471967
High Similarity 0.8972 NPC161434
High Similarity 0.8972 NPC139894
High Similarity 0.8972 NPC48249
High Similarity 0.8972 NPC256798
High Similarity 0.8972 NPC128925
High Similarity 0.8972 NPC46388
High Similarity 0.8962 NPC174679
High Similarity 0.8962 NPC164194
High Similarity 0.8962 NPC279554
High Similarity 0.8962 NPC476880
High Similarity 0.8962 NPC90856
High Similarity 0.8962 NPC476881
High Similarity 0.8962 NPC59804
High Similarity 0.8962 NPC270667
High Similarity 0.8962 NPC476884
High Similarity 0.8962 NPC136877
High Similarity 0.8962 NPC127056
High Similarity 0.8962 NPC476882
High Similarity 0.8962 NPC475296
High Similarity 0.8962 NPC476883
High Similarity 0.8962 NPC274507
High Similarity 0.8962 NPC476886
High Similarity 0.8962 NPC56713
High Similarity 0.8962 NPC29069
High Similarity 0.8962 NPC474589
High Similarity 0.8962 NPC476885
High Similarity 0.8962 NPC476887
High Similarity 0.8952 NPC177246
High Similarity 0.8952 NPC476123
High Similarity 0.8952 NPC28198
High Similarity 0.8952 NPC284807
High Similarity 0.8889 NPC163183
High Similarity 0.8889 NPC475208
High Similarity 0.8889 NPC150400
High Similarity 0.8889 NPC73318
High Similarity 0.8889 NPC189884
High Similarity 0.8889 NPC238935
High Similarity 0.8889 NPC96641
High Similarity 0.8889 NPC204458
High Similarity 0.8889 NPC134835
High Similarity 0.8889 NPC473343
High Similarity 0.8889 NPC138334
High Similarity 0.8889 NPC47063
High Similarity 0.8879 NPC285410
High Similarity 0.8879 NPC473481
High Similarity 0.8879 NPC250481
High Similarity 0.8879 NPC263827
High Similarity 0.8879 NPC477073
High Similarity 0.8879 NPC31839
High Similarity 0.8879 NPC108748
High Similarity 0.8879 NPC235841
High Similarity 0.8879 NPC297208
High Similarity 0.8879 NPC164419
High Similarity 0.8879 NPC30397
High Similarity 0.8879 NPC211798
High Similarity 0.8868 NPC477070
High Similarity 0.8868 NPC477069
High Similarity 0.8857 NPC283849
High Similarity 0.8857 NPC473538
High Similarity 0.8818 NPC300419
High Similarity 0.8796 NPC109079
High Similarity 0.8796 NPC79718
High Similarity 0.8796 NPC80843
High Similarity 0.8796 NPC475504
High Similarity 0.8796 NPC139044
High Similarity 0.8796 NPC104071
High Similarity 0.8796 NPC475516
High Similarity 0.8796 NPC10320
High Similarity 0.8796 NPC292677
High Similarity 0.8796 NPC104400
High Similarity 0.8796 NPC469946
High Similarity 0.8796 NPC324875
High Similarity 0.8796 NPC276093
High Similarity 0.8796 NPC257468
High Similarity 0.8796 NPC233003
High Similarity 0.8796 NPC101744
High Similarity 0.8796 NPC473373
High Similarity 0.8796 NPC1046
High Similarity 0.8796 NPC471383
High Similarity 0.8796 NPC102439
High Similarity 0.8785 NPC129340
High Similarity 0.8785 NPC242611
High Similarity 0.8774 NPC195708
High Similarity 0.8762 NPC475611
High Similarity 0.8739 NPC109588
High Similarity 0.8739 NPC18233
High Similarity 0.8739 NPC276758
High Similarity 0.8727 NPC471384
High Similarity 0.8727 NPC160415
High Similarity 0.8727 NPC291903
High Similarity 0.8727 NPC37134
High Similarity 0.8727 NPC58448
High Similarity 0.8727 NPC161674
High Similarity 0.8716 NPC46665
High Similarity 0.8716 NPC477074
High Similarity 0.8716 NPC174720
High Similarity 0.8716 NPC251309
High Similarity 0.8716 NPC251263
High Similarity 0.8716 NPC473826
High Similarity 0.8716 NPC114287
High Similarity 0.8716 NPC151543
High Similarity 0.8716 NPC309714
High Similarity 0.8716 NPC166422
High Similarity 0.8716 NPC219180
High Similarity 0.8716 NPC258885
High Similarity 0.8716 NPC133818
High Similarity 0.8716 NPC323341
High Similarity 0.8716 NPC475287
High Similarity 0.8716 NPC192600
High Similarity 0.8716 NPC475467
High Similarity 0.8716 NPC241909
High Similarity 0.8716 NPC295823
High Similarity 0.8716 NPC155410
High Similarity 0.8716 NPC124296
High Similarity 0.8716 NPC114304
High Similarity 0.8692 NPC265655
High Similarity 0.8679 NPC293512
High Similarity 0.8661 NPC473401
High Similarity 0.8649 NPC471547
High Similarity 0.8649 NPC473824
High Similarity 0.8649 NPC475119
High Similarity 0.8649 NPC68175
High Similarity 0.8649 NPC309433
High Similarity 0.8649 NPC136768
High Similarity 0.8649 NPC110633
High Similarity 0.8649 NPC473405
High Similarity 0.8649 NPC148417
High Similarity 0.8636 NPC475486
High Similarity 0.8636 NPC236638
High Similarity 0.8636 NPC79643
High Similarity 0.8636 NPC475160
High Similarity 0.8636 NPC67857
High Similarity 0.8636 NPC294453
High Similarity 0.8636 NPC475140
High Similarity 0.8636 NPC60557
High Similarity 0.8636 NPC102088
High Similarity 0.8636 NPC57484
High Similarity 0.8636 NPC123199
High Similarity 0.8636 NPC293330
High Similarity 0.8636 NPC70809
High Similarity 0.8636 NPC471385
High Similarity 0.8636 NPC164389
High Similarity 0.8636 NPC261506
High Similarity 0.8636 NPC298034
High Similarity 0.8636 NPC202828
High Similarity 0.8636 NPC224381
High Similarity 0.8636 NPC305981
High Similarity 0.8636 NPC76972
High Similarity 0.8636 NPC227551
High Similarity 0.8636 NPC41061
High Similarity 0.8636 NPC469782
High Similarity 0.8636 NPC65105
High Similarity 0.8636 NPC54636
High Similarity 0.8636 NPC4328
High Similarity 0.8636 NPC476068
High Similarity 0.8636 NPC309907
High Similarity 0.8636 NPC473882
High Similarity 0.8636 NPC161717
High Similarity 0.8636 NPC250247
High Similarity 0.8636 NPC100639
High Similarity 0.8636 NPC471550
High Similarity 0.8636 NPC43550
High Similarity 0.8636 NPC119592
High Similarity 0.8636 NPC204414
High Similarity 0.8636 NPC71065

Drug Structure

External Identifiers

TTD   DIB016322
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   3081238
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  692.41
ALogP  0.1575
MLogP  4.43
XLogP  4.653
HDA  11
HBD  5
Rotatable Bonds  23
TPSA  180.05
RO5 Violation  1