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:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3173

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 NPC5413
High Similarity 1.0 NPC149821
High Similarity 0.9778 NPC207292
High Similarity 0.9375 NPC92114
High Similarity 0.9348 NPC91495
High Similarity 0.9333 NPC117572
High Similarity 0.9184 NPC70387
High Similarity 0.9184 NPC139029
High Similarity 0.9184 NPC36061
High Similarity 0.9184 NPC294548
High Similarity 0.9184 NPC1813
High Similarity 0.9184 NPC321062
High Similarity 0.9167 NPC28205
High Similarity 0.9167 NPC284212
High Similarity 0.9 NPC88966
High Similarity 0.9 NPC154245
High Similarity 0.9 NPC87564
High Similarity 0.9 NPC261831
High Similarity 0.9 NPC424
High Similarity 0.9 NPC32467
High Similarity 0.9 NPC6095
High Similarity 0.9 NPC25417
High Similarity 0.9 NPC290563
High Similarity 0.9 NPC85813
High Similarity 0.9 NPC281972
High Similarity 0.898 NPC281245
High Similarity 0.8958 NPC59051
High Similarity 0.8824 NPC274290
High Similarity 0.8824 NPC473863
High Similarity 0.8776 NPC48162
High Similarity 0.8654 NPC187777
High Similarity 0.8654 NPC18951
High Similarity 0.8654 NPC179764
High Similarity 0.8654 NPC477201
High Similarity 0.8571 NPC224227
Intermediate Similarity 0.8491 NPC225929
Intermediate Similarity 0.8478 NPC270796
Intermediate Similarity 0.8462 NPC54766
Intermediate Similarity 0.84 NPC262968
Intermediate Similarity 0.8333 NPC42304
Intermediate Similarity 0.8302 NPC325977
Intermediate Similarity 0.8269 NPC322461
Intermediate Similarity 0.8235 NPC129458
Intermediate Similarity 0.8182 NPC329550
Intermediate Similarity 0.8182 NPC106851
Intermediate Similarity 0.8182 NPC274927
Intermediate Similarity 0.8163 NPC180534
Intermediate Similarity 0.8077 NPC139545
Intermediate Similarity 0.8077 NPC225066
Intermediate Similarity 0.8077 NPC10081
Intermediate Similarity 0.8077 NPC39633
Intermediate Similarity 0.8077 NPC309606
Intermediate Similarity 0.8036 NPC122521
Intermediate Similarity 0.8036 NPC243532
Intermediate Similarity 0.8036 NPC251042
Intermediate Similarity 0.8036 NPC235242
Intermediate Similarity 0.8036 NPC174447
Intermediate Similarity 0.8 NPC163345
Intermediate Similarity 0.8 NPC267817
Intermediate Similarity 0.7963 NPC327388
Intermediate Similarity 0.7925 NPC137538
Intermediate Similarity 0.7895 NPC201939
Intermediate Similarity 0.7895 NPC40082
Intermediate Similarity 0.7885 NPC303765
Intermediate Similarity 0.7885 NPC18357
Intermediate Similarity 0.7818 NPC323436
Intermediate Similarity 0.7818 NPC323498
Intermediate Similarity 0.7818 NPC211752
Intermediate Similarity 0.7818 NPC323597
Intermediate Similarity 0.7778 NPC223677
Intermediate Similarity 0.7778 NPC45626
Intermediate Similarity 0.7778 NPC52264
Intermediate Similarity 0.7778 NPC228473
Intermediate Similarity 0.7778 NPC10316
Intermediate Similarity 0.7778 NPC28779
Intermediate Similarity 0.7778 NPC200845
Intermediate Similarity 0.7778 NPC128061
Intermediate Similarity 0.7736 NPC71761
Intermediate Similarity 0.7719 NPC327112
Intermediate Similarity 0.7719 NPC328311
Intermediate Similarity 0.7692 NPC470412
Intermediate Similarity 0.7692 NPC470410
Intermediate Similarity 0.7692 NPC178586
Intermediate Similarity 0.7679 NPC329819
Intermediate Similarity 0.7679 NPC34416
Intermediate Similarity 0.7627 NPC328089
Intermediate Similarity 0.7627 NPC470320
Intermediate Similarity 0.7627 NPC68343
Intermediate Similarity 0.7593 NPC87394
Intermediate Similarity 0.7586 NPC320305
Intermediate Similarity 0.7586 NPC174560
Intermediate Similarity 0.7586 NPC321838
Intermediate Similarity 0.7586 NPC328776
Intermediate Similarity 0.7586 NPC125312
Intermediate Similarity 0.7547 NPC216407
Intermediate Similarity 0.7544 NPC329249
Intermediate Similarity 0.75 NPC317881
Intermediate Similarity 0.75 NPC255863
Intermediate Similarity 0.75 NPC245947
Intermediate Similarity 0.75 NPC326268
Intermediate Similarity 0.75 NPC323045
Intermediate Similarity 0.75 NPC318420
Intermediate Similarity 0.75 NPC136164
Intermediate Similarity 0.75 NPC320642
Intermediate Similarity 0.7451 NPC216130
Intermediate Similarity 0.7414 NPC81896
Intermediate Similarity 0.7414 NPC321919
Intermediate Similarity 0.7358 NPC470411
Intermediate Similarity 0.7333 NPC226592
Intermediate Similarity 0.7308 NPC207815
Intermediate Similarity 0.7288 NPC477829
Intermediate Similarity 0.7288 NPC113293
Intermediate Similarity 0.7258 NPC26500
Intermediate Similarity 0.7258 NPC22101
Intermediate Similarity 0.7258 NPC99619
Intermediate Similarity 0.7258 NPC127091
Intermediate Similarity 0.7258 NPC148192
Intermediate Similarity 0.7258 NPC330426
Intermediate Similarity 0.7258 NPC49863
Intermediate Similarity 0.7258 NPC104537
Intermediate Similarity 0.7258 NPC271921
Intermediate Similarity 0.7241 NPC322002
Intermediate Similarity 0.7222 NPC161366
Intermediate Similarity 0.7222 NPC477779
Intermediate Similarity 0.7213 NPC323477
Intermediate Similarity 0.7167 NPC322457
Intermediate Similarity 0.7143 NPC67367
Intermediate Similarity 0.7143 NPC476614
Intermediate Similarity 0.7143 NPC48218
Intermediate Similarity 0.7143 NPC473559
Intermediate Similarity 0.7143 NPC474672
Intermediate Similarity 0.7143 NPC477984
Intermediate Similarity 0.7143 NPC141481
Intermediate Similarity 0.7143 NPC324981
Intermediate Similarity 0.7119 NPC229252
Intermediate Similarity 0.7119 NPC143857
Intermediate Similarity 0.7097 NPC308294
Intermediate Similarity 0.7097 NPC142423
Intermediate Similarity 0.7097 NPC328653
Intermediate Similarity 0.7049 NPC234767
Intermediate Similarity 0.7037 NPC477458
Intermediate Similarity 0.7037 NPC477777
Intermediate Similarity 0.7031 NPC143396
Intermediate Similarity 0.7031 NPC317583
Intermediate Similarity 0.7021 NPC155880
Intermediate Similarity 0.7021 NPC92863
Remote Similarity 0.6984 NPC60120
Remote Similarity 0.6984 NPC475443
Remote Similarity 0.6984 NPC473829
Remote Similarity 0.6949 NPC318306
Remote Similarity 0.6935 NPC476657
Remote Similarity 0.6935 NPC476654
Remote Similarity 0.6935 NPC476655
Remote Similarity 0.6923 NPC476660
Remote Similarity 0.6923 NPC42526
Remote Similarity 0.6909 NPC170167
Remote Similarity 0.6885 NPC54925
Remote Similarity 0.6885 NPC477707
Remote Similarity 0.6875 NPC53302
Remote Similarity 0.6825 NPC476656
Remote Similarity 0.6825 NPC476659
Remote Similarity 0.6818 NPC126061
Remote Similarity 0.6786 NPC217188
Remote Similarity 0.6786 NPC284224
Remote Similarity 0.678 NPC469373
Remote Similarity 0.678 NPC325734
Remote Similarity 0.6769 NPC236208
Remote Similarity 0.6769 NPC473772
Remote Similarity 0.6731 NPC172042
Remote Similarity 0.6731 NPC76976
Remote Similarity 0.6731 NPC239754
Remote Similarity 0.6727 NPC244452
Remote Similarity 0.6724 NPC324224
Remote Similarity 0.6724 NPC472808
Remote Similarity 0.6719 NPC25298
Remote Similarity 0.6719 NPC478100
Remote Similarity 0.6719 NPC478097
Remote Similarity 0.6716 NPC325627
Remote Similarity 0.6667 NPC478095
Remote Similarity 0.6667 NPC252978
Remote Similarity 0.6667 NPC478098
Remote Similarity 0.6667 NPC67183
Remote Similarity 0.6667 NPC175342
Remote Similarity 0.6667 NPC73245
Remote Similarity 0.6667 NPC318766
Remote Similarity 0.6667 NPC322186
Remote Similarity 0.6667 NPC34873
Remote Similarity 0.6667 NPC478099
Remote Similarity 0.6667 NPC40434
Remote Similarity 0.6667 NPC474127
Remote Similarity 0.6618 NPC103958
Remote Similarity 0.6618 NPC92558
Remote Similarity 0.6618 NPC55527
Remote Similarity 0.6618 NPC476046
Remote Similarity 0.6618 NPC3753
Remote Similarity 0.6618 NPC241854
Remote Similarity 0.6618 NPC237591
Remote Similarity 0.6618 NPC283908
Remote Similarity 0.6618 NPC474321
Remote Similarity 0.6618 NPC183503

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