Drug Information

Drug ID:  NPD8328
Drug Name:  Glycyrrhizin
Molecular Formula:  C42H62O16
Canonical SMILES:  O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C
Standard InCHI:  InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1
Standard InCHIKey:  LPLVUJXQOOQHMX-QWBHMCJMSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8328

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 NPC202666
High Similarity 1.0 NPC262199
High Similarity 1.0 NPC471961
High Similarity 1.0 NPC471964
High Similarity 1.0 NPC14617
High Similarity 0.9912 NPC471965
High Similarity 0.9912 NPC247315
High Similarity 0.9912 NPC471962
High Similarity 0.9912 NPC471963
High Similarity 0.9826 NPC285091
High Similarity 0.9737 NPC162574
High Similarity 0.9649 NPC301449
High Similarity 0.9649 NPC64715
High Similarity 0.9649 NPC159309
High Similarity 0.9649 NPC114484
High Similarity 0.9649 NPC86222
High Similarity 0.9649 NPC222580
High Similarity 0.9649 NPC223301
High Similarity 0.9649 NPC11242
High Similarity 0.9649 NPC171544
High Similarity 0.9649 NPC31838
High Similarity 0.9649 NPC297263
High Similarity 0.9649 NPC62725
High Similarity 0.9649 NPC22956
High Similarity 0.9649 NPC104372
High Similarity 0.9646 NPC473884
High Similarity 0.9646 NPC475171
High Similarity 0.9646 NPC214484
High Similarity 0.9646 NPC472949
High Similarity 0.9646 NPC208381
High Similarity 0.9646 NPC39211
High Similarity 0.9646 NPC180550
High Similarity 0.9646 NPC469945
High Similarity 0.9646 NPC35405
High Similarity 0.9646 NPC6377
High Similarity 0.9646 NPC11551
High Similarity 0.9646 NPC309780
High Similarity 0.9646 NPC114441
High Similarity 0.9646 NPC157868
High Similarity 0.9565 NPC475591
High Similarity 0.9565 NPC187290
High Similarity 0.9565 NPC107966
High Similarity 0.9565 NPC21691
High Similarity 0.9565 NPC249848
High Similarity 0.9565 NPC80986
High Similarity 0.9565 NPC10607
High Similarity 0.9565 NPC40775
High Similarity 0.9565 NPC4749
High Similarity 0.9565 NPC235438
High Similarity 0.9565 NPC236870
High Similarity 0.9565 NPC213952
High Similarity 0.9561 NPC118440
High Similarity 0.9561 NPC236657
High Similarity 0.9558 NPC286347
High Similarity 0.9487 NPC181066
High Similarity 0.9487 NPC469947
High Similarity 0.9483 NPC258617
High Similarity 0.9483 NPC281148
High Similarity 0.9483 NPC30735
High Similarity 0.9483 NPC283417
High Similarity 0.9483 NPC235405
High Similarity 0.9483 NPC200049
High Similarity 0.9483 NPC302543
High Similarity 0.9483 NPC2370
High Similarity 0.9483 NPC44716
High Similarity 0.9483 NPC257211
High Similarity 0.9478 NPC31193
High Similarity 0.9478 NPC75417
High Similarity 0.9478 NPC187618
High Similarity 0.9478 NPC242840
High Similarity 0.9478 NPC302887
High Similarity 0.9474 NPC192791
High Similarity 0.9469 NPC224121
High Similarity 0.9412 NPC477196
High Similarity 0.9402 NPC160452
High Similarity 0.9402 NPC470477
High Similarity 0.9402 NPC33068
High Similarity 0.9397 NPC131469
High Similarity 0.9397 NPC313110
High Similarity 0.9391 NPC294112
High Similarity 0.9386 NPC109588
High Similarity 0.9333 NPC477197
High Similarity 0.9328 NPC477193
High Similarity 0.9328 NPC477191
High Similarity 0.9328 NPC477192
High Similarity 0.9328 NPC475281
High Similarity 0.9328 NPC477075
High Similarity 0.9328 NPC477194
High Similarity 0.9328 NPC477078
High Similarity 0.9328 NPC329923
High Similarity 0.9322 NPC470218
High Similarity 0.9322 NPC284449
High Similarity 0.9322 NPC475368
High Similarity 0.9316 NPC478066
High Similarity 0.9304 NPC473401
High Similarity 0.9256 NPC476776
High Similarity 0.9256 NPC477195
High Similarity 0.925 NPC470913
High Similarity 0.925 NPC88311
High Similarity 0.925 NPC472267
High Similarity 0.925 NPC477077
High Similarity 0.925 NPC477076
High Similarity 0.925 NPC252657
High Similarity 0.925 NPC273878
High Similarity 0.925 NPC244296
High Similarity 0.925 NPC269484
High Similarity 0.925 NPC47995
High Similarity 0.925 NPC470912
High Similarity 0.925 NPC11577
High Similarity 0.925 NPC82380
High Similarity 0.925 NPC141600
High Similarity 0.925 NPC1314
High Similarity 0.925 NPC470518
High Similarity 0.925 NPC9470
High Similarity 0.925 NPC115656
High Similarity 0.925 NPC107536
High Similarity 0.925 NPC252289
High Similarity 0.925 NPC305793
High Similarity 0.925 NPC280029
High Similarity 0.925 NPC97918
High Similarity 0.925 NPC265841
High Similarity 0.925 NPC477079
High Similarity 0.9237 NPC30188
High Similarity 0.9237 NPC177820
High Similarity 0.9237 NPC23275
High Similarity 0.9231 NPC275343
High Similarity 0.9211 NPC291903
High Similarity 0.9211 NPC37134
High Similarity 0.918 NPC476779
High Similarity 0.9174 NPC134914
High Similarity 0.9174 NPC262796
High Similarity 0.9174 NPC476774
High Similarity 0.9174 NPC45346
High Similarity 0.9174 NPC25998
High Similarity 0.9174 NPC301639
High Similarity 0.9174 NPC264566
High Similarity 0.9174 NPC476780
High Similarity 0.9174 NPC478155
High Similarity 0.9174 NPC329993
High Similarity 0.9174 NPC478065
High Similarity 0.9174 NPC478064
High Similarity 0.9174 NPC475377
High Similarity 0.9174 NPC476775
High Similarity 0.9174 NPC172374
High Similarity 0.9174 NPC173435
High Similarity 0.9174 NPC271610
High Similarity 0.9174 NPC475167
High Similarity 0.9174 NPC476074
High Similarity 0.9167 NPC470475
High Similarity 0.913 NPC309433
High Similarity 0.913 NPC300419
High Similarity 0.913 NPC475119
High Similarity 0.913 NPC473824
High Similarity 0.9123 NPC475486
High Similarity 0.9123 NPC164389
High Similarity 0.9115 NPC1046
High Similarity 0.9115 NPC80843
High Similarity 0.9115 NPC471967
High Similarity 0.9106 NPC476778
High Similarity 0.9106 NPC476777
High Similarity 0.9098 NPC478154
High Similarity 0.9098 NPC277212
High Similarity 0.9098 NPC178264
High Similarity 0.9098 NPC192765
High Similarity 0.9098 NPC46823
High Similarity 0.9098 NPC478153
High Similarity 0.9098 NPC312650
High Similarity 0.9098 NPC478150
High Similarity 0.9098 NPC30279
High Similarity 0.9098 NPC478152
High Similarity 0.9098 NPC473918
High Similarity 0.9098 NPC71391
High Similarity 0.9076 NPC469842
High Similarity 0.9076 NPC469841
High Similarity 0.9052 NPC105800
High Similarity 0.9052 NPC232237
High Similarity 0.9043 NPC75287
High Similarity 0.9043 NPC476992
High Similarity 0.9043 NPC288205
High Similarity 0.9043 NPC26626
High Similarity 0.9043 NPC305267
High Similarity 0.9043 NPC51465
High Similarity 0.9035 NPC475208
High Similarity 0.9035 NPC238935
High Similarity 0.9035 NPC62696
High Similarity 0.9035 NPC293038
High Similarity 0.9032 NPC279915
High Similarity 0.9032 NPC110700
High Similarity 0.9027 NPC31839
High Similarity 0.9024 NPC225791
High Similarity 0.9024 NPC478151
High Similarity 0.9008 NPC470476
High Similarity 0.8983 NPC194310
High Similarity 0.8983 NPC258815
High Similarity 0.8983 NPC169727
High Similarity 0.8983 NPC131841
High Similarity 0.8983 NPC241310
High Similarity 0.8983 NPC412
High Similarity 0.8983 NPC258789
High Similarity 0.8983 NPC47567

Drug Structure

External Identifiers

TTD   DNC010571
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   14982
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  822.40
ALogP  -1.6063
MLogP  4.32
XLogP  4.414
HDA  16
HBD  8
Rotatable Bonds  22
TPSA  267.04
RO5 Violation  2