Drug Information

Drug ID:  NPD7902
Drug Name:  Carbenoxolone
Molecular Formula:  C34H50O7
Canonical SMILES:  O=C(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)CCC(=O)O
Standard InCHI:  InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1
Standard InCHIKey:  OBZHEBDUNPOCJG-WBXJDKIVSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7902

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 0.9667 NPC74751
High Similarity 0.9462 NPC471966
High Similarity 0.9355 NPC26413
High Similarity 0.9341 NPC272075
High Similarity 0.9341 NPC295643
High Similarity 0.9341 NPC214756
High Similarity 0.9333 NPC120840
High Similarity 0.9333 NPC113989
High Similarity 0.9247 NPC327179
High Similarity 0.9231 NPC105189
High Similarity 0.9231 NPC77099
High Similarity 0.9231 NPC233455
High Similarity 0.9231 NPC145067
High Similarity 0.9231 NPC285184
High Similarity 0.9231 NPC158030
High Similarity 0.9231 NPC4036
High Similarity 0.9231 NPC65120
High Similarity 0.9231 NPC60755
High Similarity 0.9231 NPC470590
High Similarity 0.9222 NPC30522
High Similarity 0.914 NPC139570
High Similarity 0.913 NPC86368
High Similarity 0.9121 NPC18872
High Similarity 0.9121 NPC210037
High Similarity 0.9121 NPC7260
High Similarity 0.9121 NPC120968
High Similarity 0.9121 NPC290614
High Similarity 0.9121 NPC291028
High Similarity 0.9121 NPC227467
High Similarity 0.9121 NPC273621
High Similarity 0.9121 NPC193750
High Similarity 0.9121 NPC474728
High Similarity 0.9121 NPC477872
High Similarity 0.9043 NPC98874
High Similarity 0.9032 NPC296164
High Similarity 0.9032 NPC78580
High Similarity 0.9032 NPC23621
High Similarity 0.9032 NPC184006
High Similarity 0.9022 NPC187722
High Similarity 0.9022 NPC38754
High Similarity 0.9011 NPC64872
High Similarity 0.9011 NPC25906
High Similarity 0.9011 NPC290972
High Similarity 0.9 NPC46912
High Similarity 0.9 NPC162107
High Similarity 0.8936 NPC148523
High Similarity 0.8936 NPC23241
High Similarity 0.8936 NPC474727
High Similarity 0.8936 NPC195715
High Similarity 0.8925 NPC229281
High Similarity 0.8925 NPC63118
High Similarity 0.8925 NPC118490
High Similarity 0.8925 NPC118519
High Similarity 0.8925 NPC202728
High Similarity 0.8925 NPC474436
High Similarity 0.8925 NPC158059
High Similarity 0.8925 NPC49776
High Similarity 0.8913 NPC130278
High Similarity 0.8901 NPC182797
High Similarity 0.8901 NPC40552
High Similarity 0.8901 NPC52169
High Similarity 0.8901 NPC246708
High Similarity 0.8889 NPC91525
High Similarity 0.8889 NPC10005
High Similarity 0.8889 NPC329943
High Similarity 0.8889 NPC9892
High Similarity 0.8866 NPC476888
High Similarity 0.8866 NPC233012
High Similarity 0.8866 NPC93744
High Similarity 0.8866 NPC54909
High Similarity 0.8854 NPC260149
High Similarity 0.8854 NPC58942
High Similarity 0.8854 NPC164349
High Similarity 0.8842 NPC157113
High Similarity 0.8842 NPC62516
High Similarity 0.8842 NPC230151
High Similarity 0.883 NPC159410
High Similarity 0.883 NPC191412
High Similarity 0.883 NPC114159
High Similarity 0.883 NPC6818
High Similarity 0.8817 NPC474525
High Similarity 0.8804 NPC274330
High Similarity 0.8804 NPC475049
High Similarity 0.8804 NPC270768
High Similarity 0.8804 NPC121798
High Similarity 0.8804 NPC198664
High Similarity 0.8804 NPC293048
High Similarity 0.8804 NPC127689
High Similarity 0.8804 NPC130520
High Similarity 0.8804 NPC470588
High Similarity 0.8804 NPC59263
High Similarity 0.8804 NPC61543
High Similarity 0.8804 NPC234346
High Similarity 0.8804 NPC143232
High Similarity 0.8804 NPC225585
High Similarity 0.8804 NPC263393
High Similarity 0.8791 NPC171203
High Similarity 0.8791 NPC18064
High Similarity 0.8791 NPC68160
High Similarity 0.8791 NPC130577
High Similarity 0.8791 NPC88716
High Similarity 0.8791 NPC98442
High Similarity 0.8791 NPC51700
High Similarity 0.8791 NPC242468
High Similarity 0.8791 NPC307426
High Similarity 0.8791 NPC142415
High Similarity 0.8791 NPC293564
High Similarity 0.8791 NPC102683
High Similarity 0.8776 NPC476890
High Similarity 0.8776 NPC40918
High Similarity 0.875 NPC476879
High Similarity 0.875 NPC259788
High Similarity 0.875 NPC476878
High Similarity 0.875 NPC158347
High Similarity 0.875 NPC89225
High Similarity 0.875 NPC255589
High Similarity 0.875 NPC473456
High Similarity 0.8737 NPC96916
High Similarity 0.8737 NPC274417
High Similarity 0.8723 NPC74855
High Similarity 0.8723 NPC136313
High Similarity 0.8723 NPC169343
High Similarity 0.8723 NPC307335
High Similarity 0.871 NPC46441
High Similarity 0.871 NPC126369
High Similarity 0.871 NPC111110
High Similarity 0.871 NPC470589
High Similarity 0.8696 NPC17733
High Similarity 0.8696 NPC474512
High Similarity 0.8696 NPC474845
High Similarity 0.8696 NPC473242
High Similarity 0.8696 NPC470629
High Similarity 0.8696 NPC224145
High Similarity 0.8696 NPC290690
High Similarity 0.8696 NPC181225
High Similarity 0.8687 NPC282233
High Similarity 0.8687 NPC476889
High Similarity 0.8687 NPC95585
High Similarity 0.8681 NPC137306
High Similarity 0.8681 NPC84121
High Similarity 0.8681 NPC325594
High Similarity 0.8681 NPC475862
High Similarity 0.8681 NPC72638
High Similarity 0.8681 NPC74363
High Similarity 0.8667 NPC96095
High Similarity 0.866 NPC478056
High Similarity 0.8646 NPC204961
High Similarity 0.8646 NPC167193
High Similarity 0.8646 NPC132824
High Similarity 0.8646 NPC73004
High Similarity 0.8646 NPC259733
High Similarity 0.8646 NPC116457
High Similarity 0.8646 NPC158371
High Similarity 0.8646 NPC173744
High Similarity 0.8646 NPC472806
High Similarity 0.8646 NPC207922
High Similarity 0.8632 NPC60692
High Similarity 0.8632 NPC263548
High Similarity 0.8632 NPC88116
High Similarity 0.8632 NPC231063
High Similarity 0.8632 NPC145667
High Similarity 0.8632 NPC91010
High Similarity 0.8632 NPC148964
High Similarity 0.8632 NPC32407
High Similarity 0.8632 NPC282395
High Similarity 0.8632 NPC269729
High Similarity 0.8632 NPC20235
High Similarity 0.8632 NPC299996
High Similarity 0.8632 NPC474529
High Similarity 0.8627 NPC310546
High Similarity 0.8617 NPC282616
High Similarity 0.8617 NPC966
High Similarity 0.8617 NPC6255
High Similarity 0.8617 NPC300351
High Similarity 0.8617 NPC52021
High Similarity 0.8617 NPC25299
High Similarity 0.8617 NPC160506
High Similarity 0.8617 NPC471588
High Similarity 0.8617 NPC306541
High Similarity 0.8617 NPC288833
High Similarity 0.8617 NPC228784
High Similarity 0.8617 NPC235884
High Similarity 0.8617 NPC155120
High Similarity 0.8617 NPC71074
High Similarity 0.8617 NPC84319
High Similarity 0.8617 NPC472149
High Similarity 0.8617 NPC324341
High Similarity 0.8602 NPC477973
High Similarity 0.8602 NPC161751
High Similarity 0.8602 NPC95246
High Similarity 0.8602 NPC474972
High Similarity 0.8602 NPC474700
High Similarity 0.8587 NPC73064
High Similarity 0.8571 NPC133954
High Similarity 0.8571 NPC191965
High Similarity 0.8571 NPC475392
High Similarity 0.8571 NPC475385
High Similarity 0.8571 NPC475202
High Similarity 0.8557 NPC9613
High Similarity 0.8557 NPC247139

Drug Structure

External Identifiers

TTD   DNC000388
DrugBank   DB02329
ChEMBL   CHEMBL499915
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  5697-56-3

Drug Properties

Molecular Weight  570.36
ALogP  1.8821
MLogP  4.43
XLogP  6.855
HDA  7
HBD  2
Rotatable Bonds  15
TPSA  117.97
RO5 Violation  1