Drug Information

Drug ID:  NPD1810
Drug Name:  
Molecular Formula:  C15H24O5
Canonical SMILES:  O[C@H]1O[C@@H]2OC3(C)CC[C@@H]4[C@]2(C([C@H]1C)CC[C@H]4C)OO3
Standard InCHI:  InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11?,12+,13-,14?,15-/m1/s1
Standard InCHIKey:  BJDCWCLMFKKGEE-KWWHLYHASA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1810

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 NPC200167
High Similarity 1.0 NPC53868
High Similarity 1.0 NPC209666
High Similarity 1.0 NPC31046
High Similarity 0.9275 NPC5209
High Similarity 0.9275 NPC51956
High Similarity 0.9275 NPC29005
High Similarity 0.859 NPC67158
High Similarity 0.859 NPC128816
High Similarity 0.859 NPC30102
Intermediate Similarity 0.8421 NPC177343
Intermediate Similarity 0.8133 NPC166250
Intermediate Similarity 0.8101 NPC285480
Intermediate Similarity 0.8101 NPC30443
Intermediate Similarity 0.8101 NPC260977
Intermediate Similarity 0.8101 NPC45256
Intermediate Similarity 0.7949 NPC272841
Intermediate Similarity 0.7901 NPC241959
Intermediate Similarity 0.7895 NPC308489
Intermediate Similarity 0.7733 NPC471879
Intermediate Similarity 0.7711 NPC290612
Intermediate Similarity 0.7692 NPC107963
Intermediate Similarity 0.7619 NPC471410
Intermediate Similarity 0.7619 NPC471411
Intermediate Similarity 0.7558 NPC131466
Intermediate Similarity 0.7531 NPC60568
Intermediate Similarity 0.7531 NPC186588
Intermediate Similarity 0.7529 NPC140446
Intermediate Similarity 0.7529 NPC43912
Intermediate Similarity 0.75 NPC477577
Intermediate Similarity 0.747 NPC470070
Intermediate Similarity 0.7412 NPC268633
Intermediate Similarity 0.7412 NPC107603
Intermediate Similarity 0.7407 NPC170595
Intermediate Similarity 0.7386 NPC229801
Intermediate Similarity 0.7386 NPC307167
Intermediate Similarity 0.7386 NPC210759
Intermediate Similarity 0.7381 NPC474156
Intermediate Similarity 0.7356 NPC82955
Intermediate Similarity 0.7333 NPC477759
Intermediate Similarity 0.7333 NPC477760
Intermediate Similarity 0.7333 NPC179823
Intermediate Similarity 0.7333 NPC477758
Intermediate Similarity 0.7333 NPC477754
Intermediate Similarity 0.7333 NPC477761
Intermediate Similarity 0.7326 NPC472396
Intermediate Similarity 0.7308 NPC470660
Intermediate Similarity 0.7308 NPC470659
Intermediate Similarity 0.7303 NPC18724
Intermediate Similarity 0.7303 NPC470623
Intermediate Similarity 0.7303 NPC171741
Intermediate Similarity 0.7303 NPC224003
Intermediate Similarity 0.7303 NPC323231
Intermediate Similarity 0.7273 NPC261990
Intermediate Similarity 0.7273 NPC474249
Intermediate Similarity 0.7273 NPC65550
Intermediate Similarity 0.7273 NPC279329
Intermediate Similarity 0.725 NPC279575
Intermediate Similarity 0.7241 NPC281004
Intermediate Similarity 0.7222 NPC252253
Intermediate Similarity 0.7222 NPC253611
Intermediate Similarity 0.7222 NPC309866
Intermediate Similarity 0.7222 NPC267238
Intermediate Similarity 0.7222 NPC148593
Intermediate Similarity 0.7222 NPC77717
Intermediate Similarity 0.7222 NPC305418
Intermediate Similarity 0.7222 NPC45959
Intermediate Similarity 0.7222 NPC471373
Intermediate Similarity 0.72 NPC477752
Intermediate Similarity 0.72 NPC477756
Intermediate Similarity 0.72 NPC477764
Intermediate Similarity 0.72 NPC477751
Intermediate Similarity 0.7191 NPC473830
Intermediate Similarity 0.7191 NPC289361
Intermediate Similarity 0.7191 NPC204881
Intermediate Similarity 0.7191 NPC59006
Intermediate Similarity 0.7191 NPC36372
Intermediate Similarity 0.7191 NPC293609
Intermediate Similarity 0.7176 NPC18953
Intermediate Similarity 0.7176 NPC166279
Intermediate Similarity 0.7159 NPC473472
Intermediate Similarity 0.7159 NPC102725
Intermediate Similarity 0.7143 NPC471424
Intermediate Similarity 0.7143 NPC94582
Intermediate Similarity 0.7143 NPC477494
Intermediate Similarity 0.7143 NPC205129
Intermediate Similarity 0.7143 NPC92196
Intermediate Similarity 0.7143 NPC189575
Intermediate Similarity 0.7143 NPC106701
Intermediate Similarity 0.7143 NPC470611
Intermediate Similarity 0.7143 NPC471429
Intermediate Similarity 0.7143 NPC471425
Intermediate Similarity 0.7143 NPC57964
Intermediate Similarity 0.7111 NPC172838
Intermediate Similarity 0.7111 NPC277774
Intermediate Similarity 0.7111 NPC167644
Intermediate Similarity 0.7111 NPC311246
Intermediate Similarity 0.7111 NPC144790
Intermediate Similarity 0.7111 NPC149400
Intermediate Similarity 0.7111 NPC137004
Intermediate Similarity 0.7111 NPC88962
Intermediate Similarity 0.7111 NPC473726
Intermediate Similarity 0.7089 NPC123122
Intermediate Similarity 0.7083 NPC185116
Intermediate Similarity 0.7079 NPC223143
Intermediate Similarity 0.7079 NPC473542
Intermediate Similarity 0.7065 NPC203434
Intermediate Similarity 0.7065 NPC142264
Intermediate Similarity 0.7065 NPC304011
Intermediate Similarity 0.7065 NPC139271
Intermediate Similarity 0.7065 NPC476510
Intermediate Similarity 0.7065 NPC238796
Intermediate Similarity 0.7065 NPC237071
Intermediate Similarity 0.7059 NPC474253
Intermediate Similarity 0.7059 NPC474284
Intermediate Similarity 0.7059 NPC474346
Intermediate Similarity 0.7059 NPC475820
Intermediate Similarity 0.7059 NPC213737
Intermediate Similarity 0.7045 NPC470872
Intermediate Similarity 0.7033 NPC175
Intermediate Similarity 0.7033 NPC312678
Intermediate Similarity 0.7033 NPC473774
Intermediate Similarity 0.7033 NPC30687
Intermediate Similarity 0.7033 NPC253268
Intermediate Similarity 0.7033 NPC475436
Intermediate Similarity 0.7033 NPC473851
Intermediate Similarity 0.7033 NPC473503
Intermediate Similarity 0.7033 NPC24960
Intermediate Similarity 0.7033 NPC477224
Intermediate Similarity 0.7033 NPC191915
Intermediate Similarity 0.7033 NPC179859
Intermediate Similarity 0.7033 NPC113500
Intermediate Similarity 0.7033 NPC178949
Intermediate Similarity 0.7033 NPC174024
Intermediate Similarity 0.7033 NPC151214
Intermediate Similarity 0.7033 NPC3538
Intermediate Similarity 0.7033 NPC131693
Intermediate Similarity 0.7033 NPC96736
Intermediate Similarity 0.7033 NPC291547
Intermediate Similarity 0.7011 NPC470836
Intermediate Similarity 0.7 NPC476668
Intermediate Similarity 0.7 NPC470151
Intermediate Similarity 0.7 NPC473637
Intermediate Similarity 0.7 NPC5632
Intermediate Similarity 0.7 NPC149966
Remote Similarity 0.6989 NPC477223
Remote Similarity 0.6989 NPC233649
Remote Similarity 0.6989 NPC470028
Remote Similarity 0.6989 NPC477222
Remote Similarity 0.6966 NPC20822
Remote Similarity 0.6957 NPC474399
Remote Similarity 0.6957 NPC473065
Remote Similarity 0.6957 NPC469710
Remote Similarity 0.6957 NPC473067
Remote Similarity 0.6957 NPC473064
Remote Similarity 0.6951 NPC476719
Remote Similarity 0.6951 NPC188793
Remote Similarity 0.6941 NPC2096
Remote Similarity 0.6941 NPC296734
Remote Similarity 0.6941 NPC208912
Remote Similarity 0.6932 NPC45833
Remote Similarity 0.6932 NPC62202
Remote Similarity 0.6932 NPC213658
Remote Similarity 0.6932 NPC161928
Remote Similarity 0.6932 NPC210658
Remote Similarity 0.6932 NPC110365
Remote Similarity 0.6923 NPC476669
Remote Similarity 0.6923 NPC48339
Remote Similarity 0.6923 NPC234352
Remote Similarity 0.6923 NPC297348
Remote Similarity 0.6923 NPC249204
Remote Similarity 0.6923 NPC477451
Remote Similarity 0.6923 NPC177834
Remote Similarity 0.6923 NPC477547
Remote Similarity 0.6923 NPC141769
Remote Similarity 0.6923 NPC250393
Remote Similarity 0.6923 NPC325828
Remote Similarity 0.6915 NPC471375
Remote Similarity 0.6915 NPC209798
Remote Similarity 0.6915 NPC471374
Remote Similarity 0.6914 NPC472950
Remote Similarity 0.6914 NPC472952
Remote Similarity 0.6905 NPC471216
Remote Similarity 0.6905 NPC471217
Remote Similarity 0.6897 NPC273290
Remote Similarity 0.6897 NPC232044
Remote Similarity 0.6897 NPC235402
Remote Similarity 0.6882 NPC252056
Remote Similarity 0.6882 NPC296936
Remote Similarity 0.6882 NPC473287
Remote Similarity 0.6882 NPC121453
Remote Similarity 0.6882 NPC148872
Remote Similarity 0.6882 NPC90583
Remote Similarity 0.6882 NPC472989
Remote Similarity 0.6854 NPC128475
Remote Similarity 0.6848 NPC222731
Remote Similarity 0.6848 NPC475325
Remote Similarity 0.6848 NPC217205
Remote Similarity 0.6848 NPC471464
Remote Similarity 0.6848 NPC291203

Drug Structure

External Identifiers

TTD   DAP001471
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   107770
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  284.16
ALogP  0.2487
MLogP  2.56
XLogP  2.815
HDA  5
HBD  1
Rotatable Bonds  4
TPSA  57.15
RO5 Violation  0