Drug Information

Drug ID:  NPD3173
Drug Name:  Gamolenic Acid
Molecular Formula:  C18H30O2
Canonical SMILES:  CCCCC/C=CC/C=CC/C=CCCCCC(=O)O
Standard InCHI:  "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-"
Standard InCHIKey:  VZCCETWTMQHEPK-QNEBEIHSSA-N
Max Developmental Stage:  Phase 4
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3173

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 1.0 NPC460
High Similarity 1.0 NPC611740
High Similarity 1.0 NPC249669
High Similarity 1.0 NPC469006
High Similarity 0.931 NPC321062
High Similarity 0.931 NPC178996
High Similarity 0.9 NPC285196
High Similarity 0.9 NPC217649
High Similarity 0.9 NPC196907
High Similarity 0.9 NPC5326
High Similarity 0.9 NPC8793
High Similarity 0.9 NPC135194
High Similarity 0.9 NPC154245
High Similarity 0.9 NPC268221
High Similarity 0.9 NPC609529
High Similarity 0.9 NPC611009
High Similarity 0.9 NPC136785
High Similarity 0.9 NPC189438
High Similarity 0.9 NPC290319
High Similarity 0.9 NPC6095
High Similarity 0.9 NPC538337
High Similarity 0.9 NPC556477
High Similarity 0.9 NPC562589
High Similarity 0.8667 NPC82981
High Similarity 0.8667 NPC140737
High Similarity 0.8667 NPC257196
High Similarity 0.8667 NPC180280
High Similarity 0.8667 NPC160851
High Similarity 0.8667 NPC605597
High Similarity 0.8667 NPC543154
High Similarity 0.8667 NPC564154
High Similarity 0.8667 NPC569873
High Similarity 0.8621 NPC92114
High Similarity 0.8621 NPC515911
Intermediate Similarity 0.8438 NPC491247
Intermediate Similarity 0.8387 NPC109093
Intermediate Similarity 0.8387 NPC102413
Intermediate Similarity 0.8387 NPC201215
Intermediate Similarity 0.8387 NPC59051
Intermediate Similarity 0.8387 NPC290178
Intermediate Similarity 0.8387 NPC524264
Intermediate Similarity 0.8387 NPC527088
Intermediate Similarity 0.8387 NPC530618
Intermediate Similarity 0.8387 NPC556123
Intermediate Similarity 0.8387 NPC566793
Intermediate Similarity 0.8333 NPC149821
Intermediate Similarity 0.8333 NPC233203
Intermediate Similarity 0.8333 NPC491237
Intermediate Similarity 0.8333 NPC517736
Intermediate Similarity 0.8333 NPC532272
Intermediate Similarity 0.8333 NPC541608
Intermediate Similarity 0.8065 NPC70387
Intermediate Similarity 0.8065 NPC536243
Intermediate Similarity 0.8065 NPC570606
Intermediate Similarity 0.8 NPC199379
Intermediate Similarity 0.8 NPC36881
Intermediate Similarity 0.8 NPC289536
Intermediate Similarity 0.8 NPC604933
Intermediate Similarity 0.8 NPC43360
Intermediate Similarity 0.8 NPC143827
Intermediate Similarity 0.8 NPC36061
Intermediate Similarity 0.8 NPC69510
Intermediate Similarity 0.8 NPC28878
Intermediate Similarity 0.8 NPC77272
Intermediate Similarity 0.8 NPC189634
Intermediate Similarity 0.8 NPC120649
Intermediate Similarity 0.8 NPC237837
Intermediate Similarity 0.8 NPC257978
Intermediate Similarity 0.8 NPC290563
Intermediate Similarity 0.8 NPC139029
Intermediate Similarity 0.8 NPC139588
Intermediate Similarity 0.8 NPC109266
Intermediate Similarity 0.8 NPC16311
Intermediate Similarity 0.8 NPC236592
Intermediate Similarity 0.8 NPC48918
Intermediate Similarity 0.8 NPC115124
Intermediate Similarity 0.8 NPC281972
Intermediate Similarity 0.8 NPC151250
Intermediate Similarity 0.8 NPC288651
Intermediate Similarity 0.8 NPC126750
Intermediate Similarity 0.8 NPC182767
Intermediate Similarity 0.8 NPC187347
Intermediate Similarity 0.8 NPC236119
Intermediate Similarity 0.8 NPC237641
Intermediate Similarity 0.8 NPC240731
Intermediate Similarity 0.8 NPC611845
Intermediate Similarity 0.8 NPC114627
Intermediate Similarity 0.8 NPC220352
Intermediate Similarity 0.8 NPC269301
Intermediate Similarity 0.8 NPC308088
Intermediate Similarity 0.8 NPC261874
Intermediate Similarity 0.8 NPC87564
Intermediate Similarity 0.8 NPC247835
Intermediate Similarity 0.8 NPC13059
Intermediate Similarity 0.8 NPC166441
Intermediate Similarity 0.8 NPC195102
Intermediate Similarity 0.8 NPC208674
Intermediate Similarity 0.8 NPC40071
Intermediate Similarity 0.8 NPC311512
Intermediate Similarity 0.8 NPC299515
Intermediate Similarity 0.8 NPC179894
Intermediate Similarity 0.8 NPC143716
Intermediate Similarity 0.8 NPC492690
Intermediate Similarity 0.8 NPC496486
Intermediate Similarity 0.8 NPC505823
Intermediate Similarity 0.8 NPC506628
Intermediate Similarity 0.8 NPC513275
Intermediate Similarity 0.8 NPC521052
Intermediate Similarity 0.8 NPC523352
Intermediate Similarity 0.8 NPC528311
Intermediate Similarity 0.8 NPC540165
Intermediate Similarity 0.8 NPC545437
Intermediate Similarity 0.8 NPC547298
Intermediate Similarity 0.8 NPC556218
Intermediate Similarity 0.8 NPC559001
Intermediate Similarity 0.8 NPC560800
Intermediate Similarity 0.8 NPC564209
Intermediate Similarity 0.8 NPC579146
Intermediate Similarity 0.8 NPC583873
Intermediate Similarity 0.8 NPC586506
Intermediate Similarity 0.8 NPC591503
Intermediate Similarity 0.8 NPC593138
Intermediate Similarity 0.8 NPC593584
Intermediate Similarity 0.7812 NPC611104
Intermediate Similarity 0.7812 NPC88966
Intermediate Similarity 0.7812 NPC25417
Intermediate Similarity 0.7812 NPC16772
Intermediate Similarity 0.7812 NPC1813
Intermediate Similarity 0.7812 NPC510275
Intermediate Similarity 0.7812 NPC512604
Intermediate Similarity 0.7812 NPC554343
Intermediate Similarity 0.7812 NPC563245
Intermediate Similarity 0.7812 NPC568126
Intermediate Similarity 0.7812 NPC577682
Intermediate Similarity 0.7812 NPC607840
Intermediate Similarity 0.7778 NPC513532
Intermediate Similarity 0.7742 NPC212428
Intermediate Similarity 0.7742 NPC207292
Intermediate Similarity 0.7742 NPC499783
Intermediate Similarity 0.7742 NPC502005
Intermediate Similarity 0.7742 NPC528434
Intermediate Similarity 0.7742 NPC551062
Intermediate Similarity 0.7742 NPC590561
Intermediate Similarity 0.7667 NPC185019
Intermediate Similarity 0.7667 NPC104729
Intermediate Similarity 0.7667 NPC605284
Intermediate Similarity 0.7667 NPC219485
Intermediate Similarity 0.7667 NPC524105
Intermediate Similarity 0.7667 NPC525990
Intermediate Similarity 0.7667 NPC546242
Intermediate Similarity 0.7667 NPC547234
Intermediate Similarity 0.7667 NPC580229
Intermediate Similarity 0.7667 NPC589256
Intermediate Similarity 0.7667 NPC596787
Intermediate Similarity 0.75 NPC162181
Intermediate Similarity 0.75 NPC548862
Intermediate Similarity 0.75 NPC547997
Intermediate Similarity 0.75 NPC589137
Intermediate Similarity 0.7429 NPC545041
Intermediate Similarity 0.7419 NPC88489
Intermediate Similarity 0.7419 NPC87433
Intermediate Similarity 0.7419 NPC10068
Intermediate Similarity 0.7419 NPC32319
Intermediate Similarity 0.7419 NPC137351
Intermediate Similarity 0.7419 NPC322636
Intermediate Similarity 0.7419 NPC12154
Intermediate Similarity 0.7419 NPC509648
Intermediate Similarity 0.7419 NPC514527
Intermediate Similarity 0.7419 NPC520433
Intermediate Similarity 0.7419 NPC523776
Intermediate Similarity 0.7419 NPC544158
Intermediate Similarity 0.7419 NPC550526
Intermediate Similarity 0.7419 NPC584501
Intermediate Similarity 0.7297 NPC184700
Intermediate Similarity 0.7273 NPC509785
Intermediate Similarity 0.7273 NPC547781
Intermediate Similarity 0.7222 NPC504707
Intermediate Similarity 0.7188 NPC159505
Intermediate Similarity 0.7188 NPC604573
Intermediate Similarity 0.7188 NPC151297
Intermediate Similarity 0.7188 NPC594571
Intermediate Similarity 0.7188 NPC610610
Intermediate Similarity 0.7188 NPC510520
Intermediate Similarity 0.7188 NPC543857
Intermediate Similarity 0.7188 NPC569679
Intermediate Similarity 0.7188 NPC577318
Intermediate Similarity 0.7188 NPC608694
Intermediate Similarity 0.7097 NPC539210
Intermediate Similarity 0.7097 NPC549532
Intermediate Similarity 0.7027 NPC319142
Intermediate Similarity 0.7027 NPC542064
Intermediate Similarity 0.7 NPC560948
Remote Similarity 0.697 NPC162870
Remote Similarity 0.697 NPC13115
Remote Similarity 0.697 NPC20408
Remote Similarity 0.697 NPC492359
Remote Similarity 0.697 NPC528126
Remote Similarity 0.6923 NPC557531
Remote Similarity 0.6923 NPC574403
Remote Similarity 0.6875 NPC20120

Drug Structure

External Identifiers

TTD   DNAP001500
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5280933
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  278.22
ALogP  0.4457
MLogP  3.22
XLogP  7.538
HDA  2
HBD  1
Rotatable Bonds  15
TPSA  37.3
RO5 Violation  2