Drug Information

Drug ID:  NPD7410
Drug Name:  
Molecular Formula:  C30H28O8
Canonical SMILES:  O=C(c1c(O)c(Cc2c(O)c(C)c(c(c2O)C(=O)C)O)c(c2c1OC(C)(C)C=C2)O)/C=C/c1ccccc1
Standard InCHI:  InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+
Standard InCHIKey:  DEZFNHCVIZBHBI-ZHACJKMWSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7410

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 NPC257236
High Similarity 1.0 NPC278175
High Similarity 0.9643 NPC38219
High Similarity 0.964 NPC205006
High Similarity 0.964 NPC14871
High Similarity 0.964 NPC147688
High Similarity 0.964 NPC156590
High Similarity 0.964 NPC64908
High Similarity 0.964 NPC118840
High Similarity 0.9571 NPC11561
High Similarity 0.9571 NPC78803
High Similarity 0.9571 NPC214236
High Similarity 0.9571 NPC217083
High Similarity 0.9571 NPC226636
High Similarity 0.9571 NPC62840
High Similarity 0.9571 NPC299080
High Similarity 0.9571 NPC59739
High Similarity 0.9571 NPC293852
High Similarity 0.9568 NPC235239
High Similarity 0.9568 NPC261227
High Similarity 0.9568 NPC475680
High Similarity 0.9568 NPC270883
High Similarity 0.9568 NPC172986
High Similarity 0.9568 NPC305355
High Similarity 0.9514 NPC151973
High Similarity 0.9507 NPC228779
High Similarity 0.9504 NPC219915
High Similarity 0.95 NPC103362
High Similarity 0.95 NPC110969
High Similarity 0.9496 NPC220062
High Similarity 0.9496 NPC96565
High Similarity 0.9496 NPC216978
High Similarity 0.9496 NPC301217
High Similarity 0.9496 NPC303633
High Similarity 0.9496 NPC217186
High Similarity 0.9496 NPC55018
High Similarity 0.9496 NPC53181
High Similarity 0.9441 NPC23728
High Similarity 0.9441 NPC104406
High Similarity 0.9441 NPC24673
High Similarity 0.9441 NPC201731
High Similarity 0.9441 NPC110303
High Similarity 0.9441 NPC97716
High Similarity 0.9441 NPC237635
High Similarity 0.9441 NPC180477
High Similarity 0.9441 NPC79469
High Similarity 0.9437 NPC469953
High Similarity 0.9437 NPC234629
High Similarity 0.9437 NPC311741
High Similarity 0.9433 NPC144499
High Similarity 0.9429 NPC241100
High Similarity 0.9429 NPC150522
High Similarity 0.9429 NPC69769
High Similarity 0.9429 NPC159275
High Similarity 0.9424 NPC272844
High Similarity 0.9424 NPC201395
High Similarity 0.9424 NPC248995
High Similarity 0.9424 NPC254168
High Similarity 0.9375 NPC266572
High Similarity 0.9375 NPC6511
High Similarity 0.9375 NPC132592
High Similarity 0.9375 NPC160821
High Similarity 0.9371 NPC470131
High Similarity 0.9371 NPC57470
High Similarity 0.9371 NPC312973
High Similarity 0.9371 NPC88964
High Similarity 0.9371 NPC470647
High Similarity 0.9371 NPC142405
High Similarity 0.9371 NPC470134
High Similarity 0.9371 NPC475052
High Similarity 0.9371 NPC83357
High Similarity 0.9371 NPC473078
High Similarity 0.9371 NPC246948
High Similarity 0.9371 NPC301276
High Similarity 0.9371 NPC220418
High Similarity 0.9371 NPC214774
High Similarity 0.9371 NPC54577
High Similarity 0.9371 NPC109183
High Similarity 0.9371 NPC470133
High Similarity 0.9371 NPC111786
High Similarity 0.9371 NPC195621
High Similarity 0.9371 NPC20488
High Similarity 0.9371 NPC176229
High Similarity 0.9371 NPC67805
High Similarity 0.9371 NPC267375
High Similarity 0.9371 NPC470132
High Similarity 0.9366 NPC18585
High Similarity 0.9366 NPC106985
High Similarity 0.9366 NPC166138
High Similarity 0.9362 NPC282300
High Similarity 0.9357 NPC18260
High Similarity 0.9357 NPC240305
High Similarity 0.9357 NPC78913
High Similarity 0.931 NPC291746
High Similarity 0.931 NPC37208
High Similarity 0.931 NPC288840
High Similarity 0.931 NPC221868
High Similarity 0.9306 NPC297886
High Similarity 0.9306 NPC140120
High Similarity 0.9306 NPC249942
High Similarity 0.9306 NPC14001
High Similarity 0.9306 NPC296998
High Similarity 0.9306 NPC283234
High Similarity 0.9306 NPC166757
High Similarity 0.9306 NPC473077
High Similarity 0.9301 NPC319752
High Similarity 0.9301 NPC470135
High Similarity 0.9301 NPC39045
High Similarity 0.9301 NPC209040
High Similarity 0.9301 NPC470136
High Similarity 0.9296 NPC200694
High Similarity 0.9296 NPC36181
High Similarity 0.9286 NPC243528
High Similarity 0.9286 NPC470669
High Similarity 0.9286 NPC251681
High Similarity 0.9286 NPC470668
High Similarity 0.9281 NPC13408
High Similarity 0.9247 NPC188403
High Similarity 0.9241 NPC244407
High Similarity 0.9241 NPC272194
High Similarity 0.9241 NPC469933
High Similarity 0.9241 NPC296869
High Similarity 0.9241 NPC208303
High Similarity 0.9241 NPC321623
High Similarity 0.9241 NPC161191
High Similarity 0.9241 NPC161864
High Similarity 0.9241 NPC189087
High Similarity 0.9236 NPC474161
High Similarity 0.9236 NPC477955
High Similarity 0.9236 NPC124729
High Similarity 0.9236 NPC476088
High Similarity 0.9231 NPC112791
High Similarity 0.9231 NPC9117
High Similarity 0.9231 NPC91560
High Similarity 0.9231 NPC188632
High Similarity 0.9231 NPC190637
High Similarity 0.9231 NPC310130
High Similarity 0.9231 NPC212932
High Similarity 0.9231 NPC478086
High Similarity 0.9231 NPC11700
High Similarity 0.9231 NPC75049
High Similarity 0.9231 NPC221432
High Similarity 0.9231 NPC87609
High Similarity 0.9231 NPC24821
High Similarity 0.9231 NPC39329
High Similarity 0.9231 NPC196459
High Similarity 0.9231 NPC94794
High Similarity 0.9231 NPC169591
High Similarity 0.9231 NPC293053
High Similarity 0.9231 NPC175504
High Similarity 0.9231 NPC214166
High Similarity 0.9231 NPC164980
High Similarity 0.9231 NPC143896
High Similarity 0.9231 NPC149026
High Similarity 0.9231 NPC68104
High Similarity 0.9231 NPC257097
High Similarity 0.9231 NPC316816
High Similarity 0.9231 NPC470296
High Similarity 0.9231 NPC150408
High Similarity 0.9225 NPC3188
High Similarity 0.9225 NPC110038
High Similarity 0.9225 NPC26238
High Similarity 0.9225 NPC248372
High Similarity 0.922 NPC283429
High Similarity 0.922 NPC23257
High Similarity 0.9214 NPC228661
High Similarity 0.9214 NPC157855
High Similarity 0.9214 NPC317119
High Similarity 0.9214 NPC250266
High Similarity 0.9214 NPC266597
High Similarity 0.9209 NPC151113
High Similarity 0.9209 NPC156092
High Similarity 0.9209 NPC101752
High Similarity 0.9195 NPC56049
High Similarity 0.9195 NPC54830
High Similarity 0.9189 NPC71061
High Similarity 0.9189 NPC303485
High Similarity 0.9189 NPC72425
High Similarity 0.9189 NPC290830
High Similarity 0.9189 NPC194593
High Similarity 0.9184 NPC111112
High Similarity 0.9184 NPC305965
High Similarity 0.9184 NPC138299
High Similarity 0.9184 NPC67322
High Similarity 0.9184 NPC222713
High Similarity 0.9178 NPC164205
High Similarity 0.9178 NPC10027
High Similarity 0.9178 NPC469932
High Similarity 0.9178 NPC104236
High Similarity 0.9178 NPC5173
High Similarity 0.9178 NPC3642
High Similarity 0.9178 NPC65775
High Similarity 0.9167 NPC178627
High Similarity 0.9167 NPC197252
High Similarity 0.9167 NPC236766
High Similarity 0.9167 NPC1886
High Similarity 0.9167 NPC326500
High Similarity 0.9167 NPC469935
High Similarity 0.9167 NPC473015
High Similarity 0.9167 NPC273538

Drug Structure

External Identifiers

TTD   DPR000101
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5281847
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  516.18
ALogP  -0.4521
MLogP  3.88
XLogP  5.124
HDA  2
HBD  5
Rotatable Bonds  15
TPSA  144.52
RO5 Violation  1