Drug Information

Drug ID:  NPD7411
Drug Name:  LY-210073
Molecular Formula:  C30H28O8
Canonical SMILES:  COc1ccc(cc1)/C=C/CCCCOc1ccc2c(c1CCC(=O)O)oc1c(c2=O)cc(cc1)C(=O)O
Standard InCHI:  InChI=1S/C30H28O8/c1-36-21-10-7-19(8-11-21)6-4-2-3-5-17-37-25-15-12-23-28(33)24-18-20(30(34)35)9-14-26(24)38-29(23)22(25)13-16-27(31)32/h4,6-12,14-15,18H,2-3,5,13,16-17H2,1H3,(H,31,32)(H,34,35)/b6-4+
Standard InCHIKey:  MTTBGOLFCYOWSV-GQCTYLIASA-N
Max Developmental Stage:  Suspended
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7411

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 0.9384 NPC228779
High Similarity 0.9384 NPC470132
High Similarity 0.9384 NPC470131
High Similarity 0.9384 NPC470134
High Similarity 0.9384 NPC473078
High Similarity 0.9384 NPC470133
High Similarity 0.9384 NPC109183
High Similarity 0.9329 NPC78835
High Similarity 0.9329 NPC204561
High Similarity 0.9329 NPC317715
High Similarity 0.9329 NPC316960
High Similarity 0.9329 NPC309512
High Similarity 0.9329 NPC148945
High Similarity 0.9315 NPC39045
High Similarity 0.9315 NPC470135
High Similarity 0.9315 NPC470136
High Similarity 0.9247 NPC221432
High Similarity 0.9247 NPC164980
High Similarity 0.9247 NPC169591
High Similarity 0.9247 NPC39329
High Similarity 0.9247 NPC175504
High Similarity 0.9247 NPC149026
High Similarity 0.9247 NPC310130
High Similarity 0.9247 NPC75049
High Similarity 0.9247 NPC143896
High Similarity 0.9247 NPC257097
High Similarity 0.9247 NPC150408
High Similarity 0.9247 NPC68104
High Similarity 0.9247 NPC91560
High Similarity 0.9241 NPC3188
High Similarity 0.9211 NPC471787
High Similarity 0.9195 NPC19238
High Similarity 0.9195 NPC104236
High Similarity 0.9195 NPC164205
High Similarity 0.9195 NPC3642
High Similarity 0.9189 NPC110303
High Similarity 0.9189 NPC23728
High Similarity 0.9184 NPC209040
High Similarity 0.9184 NPC236766
High Similarity 0.9184 NPC473015
High Similarity 0.9184 NPC473013
High Similarity 0.9184 NPC469953
High Similarity 0.9184 NPC278175
High Similarity 0.9184 NPC197252
High Similarity 0.9184 NPC257236
High Similarity 0.9178 NPC37496
High Similarity 0.9178 NPC107572
High Similarity 0.9178 NPC78
High Similarity 0.9178 NPC166482
High Similarity 0.9178 NPC40833
High Similarity 0.9178 NPC328164
High Similarity 0.9178 NPC166934
High Similarity 0.9178 NPC306829
High Similarity 0.9178 NPC177354
High Similarity 0.9178 NPC148757
High Similarity 0.9178 NPC76372
High Similarity 0.9178 NPC125855
High Similarity 0.9178 NPC76338
High Similarity 0.9178 NPC167624
High Similarity 0.9178 NPC1089
High Similarity 0.9178 NPC147145
High Similarity 0.9178 NPC66515
High Similarity 0.9178 NPC220998
High Similarity 0.9178 NPC32739
High Similarity 0.9178 NPC10937
High Similarity 0.9178 NPC265040
High Similarity 0.9178 NPC227579
High Similarity 0.9178 NPC228504
High Similarity 0.9178 NPC324436
High Similarity 0.9178 NPC223500
High Similarity 0.9178 NPC296917
High Similarity 0.9178 NPC194432
High Similarity 0.9178 NPC64915
High Similarity 0.9178 NPC324134
High Similarity 0.9178 NPC182852
High Similarity 0.9178 NPC161506
High Similarity 0.9172 NPC307990
High Similarity 0.9172 NPC16455
High Similarity 0.9172 NPC69769
High Similarity 0.9133 NPC151973
High Similarity 0.9128 NPC122894
High Similarity 0.9128 NPC132592
High Similarity 0.9128 NPC160821
High Similarity 0.9122 NPC214774
High Similarity 0.9122 NPC20488
High Similarity 0.9122 NPC301276
High Similarity 0.9122 NPC312973
High Similarity 0.9122 NPC267375
High Similarity 0.9122 NPC54577
High Similarity 0.9122 NPC246948
High Similarity 0.9122 NPC142405
High Similarity 0.9122 NPC470647
High Similarity 0.9122 NPC83357
High Similarity 0.9122 NPC25844
High Similarity 0.9122 NPC195621
High Similarity 0.9122 NPC67805
High Similarity 0.9122 NPC176229
High Similarity 0.9122 NPC476153
High Similarity 0.9122 NPC88964
High Similarity 0.9122 NPC215885
High Similarity 0.9122 NPC475052
High Similarity 0.9122 NPC2416
High Similarity 0.9122 NPC111786
High Similarity 0.9116 NPC185276
High Similarity 0.9116 NPC81697
High Similarity 0.9116 NPC316816
High Similarity 0.9116 NPC125894
High Similarity 0.9116 NPC223812
High Similarity 0.9116 NPC85162
High Similarity 0.9116 NPC107177
High Similarity 0.9116 NPC214166
High Similarity 0.9116 NPC166138
High Similarity 0.9116 NPC18585
High Similarity 0.9116 NPC38219
High Similarity 0.9116 NPC478086
High Similarity 0.9116 NPC278249
High Similarity 0.9116 NPC77794
High Similarity 0.9116 NPC106985
High Similarity 0.911 NPC279650
High Similarity 0.911 NPC312391
High Similarity 0.911 NPC258630
High Similarity 0.911 NPC17170
High Similarity 0.911 NPC248372
High Similarity 0.911 NPC110038
High Similarity 0.911 NPC324386
High Similarity 0.911 NPC213322
High Similarity 0.911 NPC4743
High Similarity 0.911 NPC14871
High Similarity 0.911 NPC96408
High Similarity 0.911 NPC110969
High Similarity 0.911 NPC166689
High Similarity 0.911 NPC156190
High Similarity 0.911 NPC103362
High Similarity 0.9103 NPC275903
High Similarity 0.9073 NPC209142
High Similarity 0.9073 NPC178484
High Similarity 0.9073 NPC312549
High Similarity 0.9067 NPC214493
High Similarity 0.906 NPC201731
High Similarity 0.906 NPC180477
High Similarity 0.906 NPC283234
High Similarity 0.906 NPC473077
High Similarity 0.906 NPC140120
High Similarity 0.906 NPC97716
High Similarity 0.906 NPC296998
High Similarity 0.906 NPC104406
High Similarity 0.906 NPC237635
High Similarity 0.906 NPC24673
High Similarity 0.906 NPC79469
High Similarity 0.9054 NPC131579
High Similarity 0.9054 NPC124780
High Similarity 0.9054 NPC110776
High Similarity 0.9054 NPC473014
High Similarity 0.9054 NPC87486
High Similarity 0.9054 NPC319752
High Similarity 0.9054 NPC131568
High Similarity 0.9054 NPC271590
High Similarity 0.9054 NPC235217
High Similarity 0.9054 NPC271288
High Similarity 0.9048 NPC266725
High Similarity 0.9048 NPC36181
High Similarity 0.9048 NPC144499
High Similarity 0.9048 NPC11561
High Similarity 0.9048 NPC226636
High Similarity 0.9041 NPC110228
High Similarity 0.9041 NPC159275
High Similarity 0.9041 NPC6407
High Similarity 0.9041 NPC129853
High Similarity 0.9041 NPC188243
High Similarity 0.9041 NPC172986
High Similarity 0.9041 NPC241100
High Similarity 0.9041 NPC270883
High Similarity 0.9041 NPC76445
High Similarity 0.9041 NPC150522
High Similarity 0.9041 NPC261227
High Similarity 0.9041 NPC284550
High Similarity 0.9034 NPC112789
High Similarity 0.9034 NPC251681
High Similarity 0.9034 NPC124269
High Similarity 0.9034 NPC280284
High Similarity 0.9034 NPC19622
High Similarity 0.9034 NPC243528
High Similarity 0.9034 NPC99333
High Similarity 0.9034 NPC188947
High Similarity 0.9032 NPC114147
High Similarity 0.9026 NPC324358
High Similarity 0.9026 NPC318527
High Similarity 0.9026 NPC322459
High Similarity 0.9026 NPC323627
High Similarity 0.9013 NPC115601
High Similarity 0.9013 NPC208011
High Similarity 0.9013 NPC39154
High Similarity 0.9013 NPC174086
High Similarity 0.9013 NPC78324
High Similarity 0.9 NPC6511
High Similarity 0.9 NPC266572
High Similarity 0.9 NPC161191
High Similarity 0.9 NPC39195
High Similarity 0.8993 NPC285630
High Similarity 0.8993 NPC470322

Drug Structure

External Identifiers

TTD   DIB002106
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  516.18
ALogP  -0.8472
MLogP  3.88
XLogP  6.198
HDA  5
HBD  2
Rotatable Bonds  15
TPSA  119.36
RO5 Violation  2