Drug Information

Drug ID:  NPD6167
Drug Name:  
Molecular Formula:  C25H22O10
Canonical SMILES:  OC[C@@H]1Oc2ccc(cc2O[C@H]1c1ccc(c(c1)OC)O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O
Standard InCHI:  InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
Standard InCHIKey:  SEBFKMXJBCUCAI-WAABAYLZSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD6167

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 NPC36
High Similarity 1.0 NPC58223
High Similarity 1.0 NPC7154
High Similarity 1.0 NPC36916
High Similarity 1.0 NPC125039
High Similarity 1.0 NPC72787
High Similarity 1.0 NPC7688
High Similarity 0.9679 NPC165970
High Similarity 0.9679 NPC305987
High Similarity 0.9679 NPC288131
High Similarity 0.9679 NPC66618
High Similarity 0.9679 NPC158188
High Similarity 0.9679 NPC84324
High Similarity 0.9679 NPC113163
High Similarity 0.9623 NPC14662
High Similarity 0.9623 NPC295082
High Similarity 0.962 NPC477840
High Similarity 0.9618 NPC477841
High Similarity 0.9615 NPC101731
High Similarity 0.956 NPC471213
High Similarity 0.9554 NPC142252
High Similarity 0.9554 NPC471499
High Similarity 0.9551 NPC172202
High Similarity 0.9551 NPC284127
High Similarity 0.9551 NPC476410
High Similarity 0.9548 NPC320825
High Similarity 0.9548 NPC250922
High Similarity 0.9548 NPC326037
High Similarity 0.9548 NPC13858
High Similarity 0.9503 NPC102277
High Similarity 0.9503 NPC279209
High Similarity 0.95 NPC260266
High Similarity 0.95 NPC243877
High Similarity 0.9494 NPC219927
High Similarity 0.9494 NPC476247
High Similarity 0.949 NPC470326
High Similarity 0.949 NPC287328
High Similarity 0.949 NPC282009
High Similarity 0.9487 NPC52530
High Similarity 0.9487 NPC471515
High Similarity 0.9487 NPC183851
High Similarity 0.9487 NPC63454
High Similarity 0.9487 NPC471479
High Similarity 0.9444 NPC186847
High Similarity 0.9444 NPC472454
High Similarity 0.9444 NPC257667
High Similarity 0.9441 NPC475212
High Similarity 0.9434 NPC472625
High Similarity 0.943 NPC472632
High Similarity 0.943 NPC289771
High Similarity 0.943 NPC173137
High Similarity 0.943 NPC26326
High Similarity 0.9427 NPC22192
High Similarity 0.9423 NPC471500
High Similarity 0.9419 NPC18727
High Similarity 0.9375 NPC224280
High Similarity 0.9375 NPC62261
High Similarity 0.9371 NPC474033
High Similarity 0.9371 NPC474034
High Similarity 0.9367 NPC174953
High Similarity 0.9367 NPC263449
High Similarity 0.9367 NPC470183
High Similarity 0.9363 NPC67876
High Similarity 0.9363 NPC472598
High Similarity 0.9363 NPC474055
High Similarity 0.9355 NPC61506
High Similarity 0.9355 NPC240476
High Similarity 0.9355 NPC246162
High Similarity 0.9355 NPC9743
High Similarity 0.9355 NPC36835
High Similarity 0.9355 NPC302950
High Similarity 0.9355 NPC219582
High Similarity 0.9355 NPC19721
High Similarity 0.9355 NPC260491
High Similarity 0.9355 NPC236637
High Similarity 0.9321 NPC270578
High Similarity 0.9321 NPC52382
High Similarity 0.9317 NPC236934
High Similarity 0.9317 NPC5778
High Similarity 0.9317 NPC477517
High Similarity 0.9308 NPC471211
High Similarity 0.9308 NPC474038
High Similarity 0.9308 NPC112418
High Similarity 0.9308 NPC472634
High Similarity 0.9308 NPC471212
High Similarity 0.9308 NPC471210
High Similarity 0.9308 NPC308992
High Similarity 0.9304 NPC473990
High Similarity 0.9304 NPC53545
High Similarity 0.9304 NPC117418
High Similarity 0.9299 NPC195796
High Similarity 0.9299 NPC291878
High Similarity 0.9299 NPC35038
High Similarity 0.9299 NPC278778
High Similarity 0.9295 NPC27532
High Similarity 0.9295 NPC325028
High Similarity 0.9295 NPC256346
High Similarity 0.9295 NPC246328
High Similarity 0.9264 NPC177731
High Similarity 0.9264 NPC79056
High Similarity 0.9264 NPC285197
High Similarity 0.9264 NPC231194
High Similarity 0.9264 NPC51326
High Similarity 0.9264 NPC476365
High Similarity 0.9264 NPC105095
High Similarity 0.9264 NPC95866
High Similarity 0.9264 NPC67105
High Similarity 0.9264 NPC44328
High Similarity 0.9259 NPC160156
High Similarity 0.9259 NPC92565
High Similarity 0.9255 NPC234052
High Similarity 0.925 NPC471745
High Similarity 0.925 NPC472635
High Similarity 0.9245 NPC192686
High Similarity 0.9245 NPC118256
High Similarity 0.9245 NPC471744
High Similarity 0.9245 NPC475784
High Similarity 0.9245 NPC119209
High Similarity 0.9245 NPC472630
High Similarity 0.9245 NPC472631
High Similarity 0.9241 NPC162869
High Similarity 0.9241 NPC156057
High Similarity 0.9241 NPC471209
High Similarity 0.9241 NPC474208
High Similarity 0.9241 NPC475267
High Similarity 0.9241 NPC474836
High Similarity 0.9241 NPC27337
High Similarity 0.9241 NPC48208
High Similarity 0.9241 NPC291508
High Similarity 0.9236 NPC200761
High Similarity 0.9236 NPC470327
High Similarity 0.9236 NPC45849
High Similarity 0.9236 NPC321779
High Similarity 0.9236 NPC477503
High Similarity 0.9231 NPC472912
High Similarity 0.9226 NPC338131
High Similarity 0.9217 NPC217520
High Similarity 0.9217 NPC139571
High Similarity 0.9212 NPC294629
High Similarity 0.9212 NPC16194
High Similarity 0.9212 NPC220173
High Similarity 0.9212 NPC476472
High Similarity 0.9212 NPC473327
High Similarity 0.9212 NPC19108
High Similarity 0.9212 NPC294815
High Similarity 0.9207 NPC33054
High Similarity 0.9207 NPC155877
High Similarity 0.9207 NPC26230
High Similarity 0.9207 NPC471725
High Similarity 0.9207 NPC256760
High Similarity 0.9207 NPC203259
High Similarity 0.9207 NPC81332
High Similarity 0.9207 NPC471748
High Similarity 0.9207 NPC262580
High Similarity 0.9207 NPC134532
High Similarity 0.9207 NPC212038
High Similarity 0.9207 NPC289396
High Similarity 0.9207 NPC60735
High Similarity 0.9207 NPC67134
High Similarity 0.9207 NPC47140
High Similarity 0.9207 NPC176740
High Similarity 0.9207 NPC271848
High Similarity 0.9202 NPC203050
High Similarity 0.9202 NPC326877
High Similarity 0.9202 NPC188079
High Similarity 0.9202 NPC120099
High Similarity 0.9202 NPC43587
High Similarity 0.9202 NPC223747
High Similarity 0.9202 NPC177480
High Similarity 0.9202 NPC293629
High Similarity 0.9202 NPC225434
High Similarity 0.9202 NPC227508
High Similarity 0.9202 NPC195257
High Similarity 0.9202 NPC229687
High Similarity 0.9202 NPC107627
High Similarity 0.9202 NPC209296
High Similarity 0.9202 NPC219904
High Similarity 0.9198 NPC224851
High Similarity 0.9198 NPC21100
High Similarity 0.9198 NPC197285
High Similarity 0.9198 NPC115674
High Similarity 0.9198 NPC210073
High Similarity 0.9193 NPC29830
High Similarity 0.9187 NPC134783
High Similarity 0.9182 NPC55738
High Similarity 0.9182 NPC123544
High Similarity 0.9182 NPC152904
High Similarity 0.9177 NPC201837
High Similarity 0.9177 NPC235165
High Similarity 0.9177 NPC470328
High Similarity 0.9177 NPC208152
High Similarity 0.9177 NPC209614
High Similarity 0.9177 NPC255106
High Similarity 0.9177 NPC474638
High Similarity 0.9177 NPC472626
High Similarity 0.9177 NPC78492
High Similarity 0.9172 NPC192083
High Similarity 0.9172 NPC213896
High Similarity 0.9172 NPC141212
High Similarity 0.9172 NPC236223

Drug Structure

External Identifiers

TTD   DCL000199
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   1548994
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  482.12
ALogP  -3.3761
MLogP  3.11
XLogP  0.66
HDA  3
HBD  5
Rotatable Bonds  10
TPSA  155.14
RO5 Violation  0