Drug Information

Drug ID:  NPD4225
Drug Name:  
Molecular Formula:  C20H30O5
Canonical SMILES:  OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2C/C=C/1[C@H](O)COC1=O)C
Standard InCHI:  InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
Standard InCHIKey:  BOJKULTULYSRAS-OTESTREVSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD4225

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 NPC124512
High Similarity 1.0 NPC159763
High Similarity 1.0 NPC278386
High Similarity 0.9674 NPC73911
High Similarity 0.9341 NPC72845
High Similarity 0.914 NPC57117
High Similarity 0.9121 NPC474396
High Similarity 0.9121 NPC79027
High Similarity 0.9121 NPC50488
High Similarity 0.8947 NPC242848
High Similarity 0.883 NPC53555
High Similarity 0.8791 NPC329692
High Similarity 0.8776 NPC303559
High Similarity 0.875 NPC264153
High Similarity 0.875 NPC473153
High Similarity 0.866 NPC474343
High Similarity 0.8632 NPC152778
High Similarity 0.8632 NPC162615
High Similarity 0.8632 NPC205034
High Similarity 0.8632 NPC139692
High Similarity 0.8617 NPC78973
High Similarity 0.8587 NPC131813
High Similarity 0.8571 NPC473154
High Similarity 0.8557 NPC234993
High Similarity 0.8557 NPC134072
High Similarity 0.8529 NPC67321
High Similarity 0.8529 NPC187435
High Similarity 0.8526 NPC472814
High Similarity 0.8526 NPC177037
High Similarity 0.8515 NPC296950
High Similarity 0.8515 NPC146731
Intermediate Similarity 0.8495 NPC473891
Intermediate Similarity 0.8485 NPC38855
Intermediate Similarity 0.8485 NPC474012
Intermediate Similarity 0.8485 NPC476299
Intermediate Similarity 0.8478 NPC476602
Intermediate Similarity 0.8476 NPC269530
Intermediate Similarity 0.8454 NPC183012
Intermediate Similarity 0.8447 NPC306265
Intermediate Similarity 0.8438 NPC472812
Intermediate Similarity 0.8421 NPC182136
Intermediate Similarity 0.8421 NPC310479
Intermediate Similarity 0.8416 NPC159533
Intermediate Similarity 0.8384 NPC316598
Intermediate Similarity 0.8367 NPC16967
Intermediate Similarity 0.8365 NPC475065
Intermediate Similarity 0.8351 NPC191521
Intermediate Similarity 0.835 NPC330011
Intermediate Similarity 0.835 NPC329048
Intermediate Similarity 0.8333 NPC140055
Intermediate Similarity 0.8333 NPC472811
Intermediate Similarity 0.8333 NPC470493
Intermediate Similarity 0.8333 NPC470492
Intermediate Similarity 0.8333 NPC20302
Intermediate Similarity 0.8333 NPC167606
Intermediate Similarity 0.8333 NPC312824
Intermediate Similarity 0.8333 NPC286528
Intermediate Similarity 0.8333 NPC183580
Intermediate Similarity 0.8318 NPC67259
Intermediate Similarity 0.8318 NPC147912
Intermediate Similarity 0.8317 NPC472815
Intermediate Similarity 0.8316 NPC82876
Intermediate Similarity 0.83 NPC47024
Intermediate Similarity 0.8298 NPC166857
Intermediate Similarity 0.8286 NPC235014
Intermediate Similarity 0.8283 NPC475709
Intermediate Similarity 0.8283 NPC287668
Intermediate Similarity 0.8269 NPC475418
Intermediate Similarity 0.8269 NPC473482
Intermediate Similarity 0.8269 NPC318363
Intermediate Similarity 0.8261 NPC311070
Intermediate Similarity 0.8261 NPC79945
Intermediate Similarity 0.8257 NPC50774
Intermediate Similarity 0.8257 NPC709
Intermediate Similarity 0.8252 NPC477125
Intermediate Similarity 0.8247 NPC115021
Intermediate Similarity 0.8235 NPC476237
Intermediate Similarity 0.8235 NPC471938
Intermediate Similarity 0.8229 NPC221111
Intermediate Similarity 0.8229 NPC280149
Intermediate Similarity 0.8229 NPC51486
Intermediate Similarity 0.8218 NPC308824
Intermediate Similarity 0.8211 NPC104560
Intermediate Similarity 0.82 NPC474440
Intermediate Similarity 0.819 NPC474243
Intermediate Similarity 0.8182 NPC264954
Intermediate Similarity 0.8173 NPC473284
Intermediate Similarity 0.8163 NPC470697
Intermediate Similarity 0.8155 NPC471937
Intermediate Similarity 0.8144 NPC186363
Intermediate Similarity 0.8144 NPC233345
Intermediate Similarity 0.8137 NPC471914
Intermediate Similarity 0.8137 NPC273668
Intermediate Similarity 0.8137 NPC283343
Intermediate Similarity 0.8137 NPC476081
Intermediate Similarity 0.8137 NPC258547
Intermediate Similarity 0.8125 NPC77001
Intermediate Similarity 0.8125 NPC253618
Intermediate Similarity 0.8119 NPC117685
Intermediate Similarity 0.8113 NPC478211
Intermediate Similarity 0.8113 NPC5103
Intermediate Similarity 0.8108 NPC474370
Intermediate Similarity 0.8105 NPC181103
Intermediate Similarity 0.81 NPC253826
Intermediate Similarity 0.81 NPC205143
Intermediate Similarity 0.8095 NPC181994
Intermediate Similarity 0.8095 NPC38948
Intermediate Similarity 0.8095 NPC37628
Intermediate Similarity 0.8091 NPC478206
Intermediate Similarity 0.8091 NPC478205
Intermediate Similarity 0.8091 NPC186525
Intermediate Similarity 0.8091 NPC108581
Intermediate Similarity 0.8085 NPC35933
Intermediate Similarity 0.8081 NPC276110
Intermediate Similarity 0.8081 NPC476519
Intermediate Similarity 0.8081 NPC209355
Intermediate Similarity 0.8077 NPC88349
Intermediate Similarity 0.8073 NPC470075
Intermediate Similarity 0.8073 NPC64318
Intermediate Similarity 0.8061 NPC469645
Intermediate Similarity 0.8061 NPC469692
Intermediate Similarity 0.8058 NPC156681
Intermediate Similarity 0.8058 NPC72842
Intermediate Similarity 0.8058 NPC475050
Intermediate Similarity 0.8058 NPC99510
Intermediate Similarity 0.8058 NPC120321
Intermediate Similarity 0.8056 NPC122056
Intermediate Similarity 0.8056 NPC477126
Intermediate Similarity 0.8056 NPC478212
Intermediate Similarity 0.8043 NPC159148
Intermediate Similarity 0.8043 NPC170303
Intermediate Similarity 0.8039 NPC473160
Intermediate Similarity 0.8037 NPC100329
Intermediate Similarity 0.8037 NPC474315
Intermediate Similarity 0.8037 NPC247031
Intermediate Similarity 0.8037 NPC132790
Intermediate Similarity 0.8037 NPC97939
Intermediate Similarity 0.8036 NPC67569
Intermediate Similarity 0.8021 NPC472809
Intermediate Similarity 0.8021 NPC472810
Intermediate Similarity 0.802 NPC478056
Intermediate Similarity 0.802 NPC216478
Intermediate Similarity 0.802 NPC278008
Intermediate Similarity 0.802 NPC218107
Intermediate Similarity 0.8019 NPC42662
Intermediate Similarity 0.8019 NPC206618
Intermediate Similarity 0.8 NPC195366
Intermediate Similarity 0.8 NPC114743
Intermediate Similarity 0.8 NPC301666
Intermediate Similarity 0.8 NPC175145
Intermediate Similarity 0.8 NPC53396
Intermediate Similarity 0.8 NPC88009
Intermediate Similarity 0.8 NPC475176
Intermediate Similarity 0.8 NPC202833
Intermediate Similarity 0.8 NPC98249
Intermediate Similarity 0.8 NPC78966
Intermediate Similarity 0.8 NPC131665
Intermediate Similarity 0.8 NPC165632
Intermediate Similarity 0.8 NPC473656
Intermediate Similarity 0.8 NPC255387
Intermediate Similarity 0.8 NPC469684
Intermediate Similarity 0.8 NPC58662
Intermediate Similarity 0.8 NPC284732
Intermediate Similarity 0.8 NPC473968
Intermediate Similarity 0.8 NPC475069
Intermediate Similarity 0.8 NPC478204
Intermediate Similarity 0.7982 NPC8369
Intermediate Similarity 0.798 NPC121825
Intermediate Similarity 0.798 NPC24861
Intermediate Similarity 0.798 NPC470255
Intermediate Similarity 0.7979 NPC96055
Intermediate Similarity 0.7965 NPC153700
Intermediate Similarity 0.7965 NPC470265
Intermediate Similarity 0.7965 NPC88326
Intermediate Similarity 0.7965 NPC23786
Intermediate Similarity 0.7963 NPC470063
Intermediate Similarity 0.7963 NPC69291
Intermediate Similarity 0.7963 NPC476801
Intermediate Similarity 0.7961 NPC164551
Intermediate Similarity 0.7961 NPC472552
Intermediate Similarity 0.7961 NPC58329
Intermediate Similarity 0.7961 NPC109195
Intermediate Similarity 0.7961 NPC155332
Intermediate Similarity 0.7961 NPC475038
Intermediate Similarity 0.7961 NPC32577
Intermediate Similarity 0.7961 NPC114540
Intermediate Similarity 0.7961 NPC295791
Intermediate Similarity 0.7959 NPC303697
Intermediate Similarity 0.7959 NPC329842
Intermediate Similarity 0.7944 NPC29133
Intermediate Similarity 0.7944 NPC478209
Intermediate Similarity 0.7941 NPC474190
Intermediate Similarity 0.7941 NPC473510
Intermediate Similarity 0.7941 NPC476303
Intermediate Similarity 0.7941 NPC251680
Intermediate Similarity 0.7938 NPC168131
Intermediate Similarity 0.7938 NPC174342
Intermediate Similarity 0.7938 NPC218927
Intermediate Similarity 0.7938 NPC206001
Intermediate Similarity 0.7938 NPC246028

Drug Structure

External Identifiers

TTD   DNAP001442
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5318517
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  350.21
ALogP  -0.3281
MLogP  3.11
XLogP  2.913
HDA  5
HBD  3
Rotatable Bonds  8
TPSA  86.99
RO5 Violation  0