Drug Information

Drug ID:  NPD6671
Drug Name:  
Molecular Formula:  C26H38O2
Canonical SMILES:  C/C(=CCCC1(C)CCc2c(O1)ccc(c2)O)/CC/C=C(/CCC=C(C)C)C
Standard InCHI:  InChI=1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+
Standard InCHIKey:  GJJVAFUKOBZPCB-ZGRPYONQSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD6671

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 0.9725 NPC69539
High Similarity 0.9636 NPC187993
High Similarity 0.9636 NPC238176
High Similarity 0.9537 NPC474920
High Similarity 0.9464 NPC51341
High Similarity 0.9464 NPC32152
High Similarity 0.9455 NPC473718
High Similarity 0.9381 NPC232295
High Similarity 0.9381 NPC474131
High Similarity 0.9298 NPC45663
High Similarity 0.9292 NPC471449
High Similarity 0.9217 NPC168707
High Similarity 0.9217 NPC48623
High Similarity 0.9204 NPC283616
High Similarity 0.9138 NPC46586
High Similarity 0.9138 NPC204535
High Similarity 0.9074 NPC233320
High Similarity 0.906 NPC474130
High Similarity 0.9035 NPC139047
High Similarity 0.8983 NPC190086
High Similarity 0.8983 NPC248557
High Similarity 0.8983 NPC61685
High Similarity 0.8983 NPC276962
High Similarity 0.8983 NPC474237
High Similarity 0.8966 NPC473875
High Similarity 0.8919 NPC275627
High Similarity 0.886 NPC290470
High Similarity 0.886 NPC154256
High Similarity 0.8843 NPC47288
High Similarity 0.8824 NPC147896
High Similarity 0.8814 NPC302211
High Similarity 0.8739 NPC261992
High Similarity 0.8729 NPC476165
High Similarity 0.8699 NPC475880
High Similarity 0.8696 NPC236070
High Similarity 0.8696 NPC242580
High Similarity 0.8696 NPC126759
High Similarity 0.8692 NPC129373
High Similarity 0.8692 NPC48730
High Similarity 0.8692 NPC248396
High Similarity 0.8673 NPC98372
High Similarity 0.8655 NPC188997
High Similarity 0.8644 NPC475529
High Similarity 0.8644 NPC218753
High Similarity 0.8629 NPC153019
High Similarity 0.8618 NPC271832
High Similarity 0.8618 NPC59654
High Similarity 0.8609 NPC301321
High Similarity 0.8607 NPC95034
High Similarity 0.8607 NPC142087
High Similarity 0.8598 NPC260775
High Similarity 0.8571 NPC475839
High Similarity 0.8548 NPC196621
High Similarity 0.8537 NPC176590
High Similarity 0.8532 NPC108497
High Similarity 0.8525 NPC476006
High Similarity 0.8519 NPC130756
High Similarity 0.8519 NPC70677
High Similarity 0.8519 NPC12931
High Similarity 0.8505 NPC152097
High Similarity 0.8505 NPC475078
Intermediate Similarity 0.8492 NPC211352
Intermediate Similarity 0.8487 NPC129176
Intermediate Similarity 0.8482 NPC241549
Intermediate Similarity 0.8482 NPC75440
Intermediate Similarity 0.848 NPC474143
Intermediate Similarity 0.848 NPC474246
Intermediate Similarity 0.8475 NPC137294
Intermediate Similarity 0.8475 NPC85895
Intermediate Similarity 0.8468 NPC155072
Intermediate Similarity 0.8443 NPC476254
Intermediate Similarity 0.8443 NPC131397
Intermediate Similarity 0.8443 NPC133407
Intermediate Similarity 0.8443 NPC252962
Intermediate Similarity 0.8443 NPC28476
Intermediate Similarity 0.844 NPC477685
Intermediate Similarity 0.844 NPC80800
Intermediate Similarity 0.843 NPC96940
Intermediate Similarity 0.8413 NPC289624
Intermediate Similarity 0.8413 NPC27578
Intermediate Similarity 0.8403 NPC14177
Intermediate Similarity 0.8376 NPC163398
Intermediate Similarity 0.8347 NPC74137
Intermediate Similarity 0.8333 NPC212559
Intermediate Similarity 0.8333 NPC470161
Intermediate Similarity 0.8333 NPC96423
Intermediate Similarity 0.832 NPC97326
Intermediate Similarity 0.8305 NPC69261
Intermediate Similarity 0.8305 NPC33270
Intermediate Similarity 0.8304 NPC30416
Intermediate Similarity 0.8304 NPC469913
Intermediate Similarity 0.8304 NPC113457
Intermediate Similarity 0.8304 NPC53740
Intermediate Similarity 0.8295 NPC474610
Intermediate Similarity 0.8291 NPC808
Intermediate Similarity 0.8288 NPC130817
Intermediate Similarity 0.8276 NPC141003
Intermediate Similarity 0.8276 NPC35344
Intermediate Similarity 0.8268 NPC317601
Intermediate Similarity 0.8268 NPC329427
Intermediate Similarity 0.8268 NPC118253
Intermediate Similarity 0.8264 NPC212965
Intermediate Similarity 0.8261 NPC54373
Intermediate Similarity 0.8254 NPC220935
Intermediate Similarity 0.824 NPC38604
Intermediate Similarity 0.824 NPC211179
Intermediate Similarity 0.824 NPC201419
Intermediate Similarity 0.8235 NPC190514
Intermediate Similarity 0.823 NPC320439
Intermediate Similarity 0.8226 NPC128321
Intermediate Similarity 0.822 NPC150624
Intermediate Similarity 0.8214 NPC470393
Intermediate Similarity 0.8214 NPC47284
Intermediate Similarity 0.8205 NPC470837
Intermediate Similarity 0.8197 NPC120638
Intermediate Similarity 0.8197 NPC474864
Intermediate Similarity 0.819 NPC228452
Intermediate Similarity 0.8189 NPC82503
Intermediate Similarity 0.8189 NPC472590
Intermediate Similarity 0.8182 NPC100108
Intermediate Similarity 0.8182 NPC277798
Intermediate Similarity 0.8175 NPC96719
Intermediate Similarity 0.8175 NPC16577
Intermediate Similarity 0.8175 NPC210655
Intermediate Similarity 0.8175 NPC472796
Intermediate Similarity 0.8175 NPC472795
Intermediate Similarity 0.8175 NPC222108
Intermediate Similarity 0.8175 NPC472797
Intermediate Similarity 0.8167 NPC184302
Intermediate Similarity 0.816 NPC46978
Intermediate Similarity 0.8158 NPC169450
Intermediate Similarity 0.8158 NPC201959
Intermediate Similarity 0.8151 NPC127894
Intermediate Similarity 0.8151 NPC86947
Intermediate Similarity 0.8151 NPC15860
Intermediate Similarity 0.8151 NPC470759
Intermediate Similarity 0.8151 NPC219070
Intermediate Similarity 0.8142 NPC326801
Intermediate Similarity 0.8136 NPC53906
Intermediate Similarity 0.8136 NPC283169
Intermediate Similarity 0.8136 NPC232165
Intermediate Similarity 0.8131 NPC306884
Intermediate Similarity 0.8131 NPC3358
Intermediate Similarity 0.8131 NPC94139
Intermediate Similarity 0.8131 NPC29373
Intermediate Similarity 0.8131 NPC162314
Intermediate Similarity 0.8131 NPC210497
Intermediate Similarity 0.8131 NPC147284
Intermediate Similarity 0.813 NPC248786
Intermediate Similarity 0.8125 NPC108875
Intermediate Similarity 0.8125 NPC12987
Intermediate Similarity 0.8125 NPC38079
Intermediate Similarity 0.8125 NPC474603
Intermediate Similarity 0.811 NPC325003
Intermediate Similarity 0.8108 NPC12221
Intermediate Similarity 0.8106 NPC473049
Intermediate Similarity 0.8106 NPC76312
Intermediate Similarity 0.8106 NPC472794
Intermediate Similarity 0.8106 NPC79372
Intermediate Similarity 0.8103 NPC195873
Intermediate Similarity 0.8103 NPC266932
Intermediate Similarity 0.8095 NPC81261
Intermediate Similarity 0.8095 NPC63179
Intermediate Similarity 0.8092 NPC476171
Intermediate Similarity 0.808 NPC26879
Intermediate Similarity 0.808 NPC112596
Intermediate Similarity 0.808 NPC283049
Intermediate Similarity 0.808 NPC50315
Intermediate Similarity 0.808 NPC230479
Intermediate Similarity 0.8077 NPC195022
Intermediate Similarity 0.8077 NPC327382
Intermediate Similarity 0.8077 NPC475011
Intermediate Similarity 0.807 NPC474352
Intermediate Similarity 0.8067 NPC114064
Intermediate Similarity 0.8065 NPC270030
Intermediate Similarity 0.8065 NPC140521
Intermediate Similarity 0.8062 NPC269528
Intermediate Similarity 0.8051 NPC87563
Intermediate Similarity 0.8051 NPC276737
Intermediate Similarity 0.8051 NPC22610
Intermediate Similarity 0.8051 NPC161696
Intermediate Similarity 0.8049 NPC150026
Intermediate Similarity 0.8049 NPC36016
Intermediate Similarity 0.8049 NPC476332
Intermediate Similarity 0.8049 NPC246967
Intermediate Similarity 0.8049 NPC135414
Intermediate Similarity 0.8049 NPC18128
Intermediate Similarity 0.8049 NPC100099
Intermediate Similarity 0.8049 NPC77789
Intermediate Similarity 0.8049 NPC49441
Intermediate Similarity 0.8049 NPC473464
Intermediate Similarity 0.8047 NPC160623
Intermediate Similarity 0.8047 NPC142530
Intermediate Similarity 0.8047 NPC469907
Intermediate Similarity 0.8045 NPC472791
Intermediate Similarity 0.8045 NPC472792
Intermediate Similarity 0.8036 NPC192596
Intermediate Similarity 0.8036 NPC12870
Intermediate Similarity 0.8036 NPC24327
Intermediate Similarity 0.8036 NPC269212

Drug Structure

External Identifiers

TTD   DIB014773
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   9929901
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  382.29
ALogP  4.39
MLogP  4.1
XLogP  7.821
HDA  0
HBD  1
Rotatable Bonds  15
TPSA  29.46
RO5 Violation  1