Drug Information

Drug ID:  NPD7507
Drug Name:  Peruvoside
Molecular Formula:  C30H44O9
Canonical SMILES:  CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)O[C@H]([C@@H]1O)C
Standard InCHI:  InChI=1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28+,29+,30-/m0/s1
Standard InCHIKey:  PMTSPAGBAFCORP-HBUONDEYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7507

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 NPC250556
High Similarity 1.0 NPC469750
High Similarity 0.9914 NPC471356
High Similarity 0.9914 NPC179412
High Similarity 0.9826 NPC27363
High Similarity 0.9746 NPC70542
High Similarity 0.9746 NPC10823
High Similarity 0.9746 NPC180079
High Similarity 0.9746 NPC329986
High Similarity 0.9746 NPC86159
High Similarity 0.9746 NPC188234
High Similarity 0.9746 NPC469755
High Similarity 0.9746 NPC469751
High Similarity 0.9746 NPC284406
High Similarity 0.9746 NPC125077
High Similarity 0.9746 NPC251866
High Similarity 0.9746 NPC469753
High Similarity 0.9746 NPC89514
High Similarity 0.9746 NPC276838
High Similarity 0.9746 NPC232785
High Similarity 0.9746 NPC6108
High Similarity 0.9746 NPC140092
High Similarity 0.9746 NPC471360
High Similarity 0.9746 NPC197707
High Similarity 0.9746 NPC471358
High Similarity 0.9746 NPC219085
High Similarity 0.9746 NPC469754
High Similarity 0.9746 NPC469752
High Similarity 0.9746 NPC471361
High Similarity 0.9746 NPC471352
High Similarity 0.9746 NPC471359
High Similarity 0.9746 NPC17896
High Similarity 0.9746 NPC9499
High Similarity 0.9664 NPC159338
High Similarity 0.9664 NPC253456
High Similarity 0.9664 NPC16569
High Similarity 0.9583 NPC42670
High Similarity 0.9583 NPC19124
High Similarity 0.9583 NPC93416
High Similarity 0.958 NPC91
High Similarity 0.9576 NPC329784
High Similarity 0.9576 NPC146456
High Similarity 0.9576 NPC469757
High Similarity 0.9576 NPC240070
High Similarity 0.9576 NPC117702
High Similarity 0.9576 NPC471357
High Similarity 0.9504 NPC32793
High Similarity 0.9504 NPC298783
High Similarity 0.9504 NPC225385
High Similarity 0.9504 NPC104585
High Similarity 0.9504 NPC247190
High Similarity 0.9504 NPC477709
High Similarity 0.9504 NPC476221
High Similarity 0.9504 NPC157817
High Similarity 0.9504 NPC146857
High Similarity 0.9504 NPC469749
High Similarity 0.9504 NPC116075
High Similarity 0.9426 NPC329636
High Similarity 0.935 NPC194716
High Similarity 0.9344 NPC142756
High Similarity 0.9333 NPC311534
High Similarity 0.9274 NPC59288
High Similarity 0.9274 NPC329675
High Similarity 0.9231 NPC470312
High Similarity 0.9217 NPC99620
High Similarity 0.9217 NPC5311
High Similarity 0.9217 NPC199428
High Similarity 0.9217 NPC310341
High Similarity 0.9217 NPC193382
High Similarity 0.9187 NPC88668
High Similarity 0.9138 NPC27507
High Similarity 0.9138 NPC99728
High Similarity 0.9138 NPC50305
High Similarity 0.9138 NPC473852
High Similarity 0.9138 NPC77319
High Similarity 0.9138 NPC87250
High Similarity 0.9138 NPC243196
High Similarity 0.9138 NPC93883
High Similarity 0.9138 NPC471353
High Similarity 0.9138 NPC158344
High Similarity 0.9138 NPC309034
High Similarity 0.9138 NPC34390
High Similarity 0.9138 NPC142066
High Similarity 0.9138 NPC471351
High Similarity 0.9138 NPC471355
High Similarity 0.9138 NPC152615
High Similarity 0.9138 NPC244402
High Similarity 0.9138 NPC196429
High Similarity 0.9138 NPC84987
High Similarity 0.9138 NPC474418
High Similarity 0.9138 NPC471354
High Similarity 0.9138 NPC157376
High Similarity 0.913 NPC84949
High Similarity 0.913 NPC471633
High Similarity 0.913 NPC31354
High Similarity 0.913 NPC69576
High Similarity 0.906 NPC83287
High Similarity 0.904 NPC171619
High Similarity 0.8983 NPC470897
High Similarity 0.8983 NPC44899
High Similarity 0.8983 NPC292467
High Similarity 0.8983 NPC304260
High Similarity 0.8983 NPC469756
High Similarity 0.8983 NPC30483
High Similarity 0.8983 NPC29639
High Similarity 0.8983 NPC329905
High Similarity 0.8983 NPC55532
High Similarity 0.8983 NPC236973
High Similarity 0.8983 NPC5883
High Similarity 0.8983 NPC32177
High Similarity 0.8974 NPC203862
High Similarity 0.8974 NPC290693
High Similarity 0.8968 NPC62172
High Similarity 0.8968 NPC289700
High Similarity 0.8952 NPC155529
High Similarity 0.8908 NPC475629
High Similarity 0.8908 NPC474466
High Similarity 0.8908 NPC475556
High Similarity 0.8908 NPC475136
High Similarity 0.8908 NPC72260
High Similarity 0.8889 NPC196931
High Similarity 0.8871 NPC173347
High Similarity 0.8833 NPC120390
High Similarity 0.8833 NPC173555
High Similarity 0.8833 NPC40749
High Similarity 0.8833 NPC474908
High Similarity 0.8833 NPC475590
High Similarity 0.8833 NPC475219
High Similarity 0.8833 NPC475419
High Similarity 0.8833 NPC231518
High Similarity 0.8833 NPC314535
High Similarity 0.8828 NPC75616
High Similarity 0.8803 NPC477580
High Similarity 0.88 NPC471855
High Similarity 0.876 NPC193893
High Similarity 0.876 NPC28532
High Similarity 0.876 NPC115349
High Similarity 0.876 NPC264336
High Similarity 0.876 NPC474423
High Similarity 0.876 NPC74259
High Similarity 0.874 NPC158350
High Similarity 0.8739 NPC218093
High Similarity 0.8729 NPC138372
High Similarity 0.8729 NPC469794
High Similarity 0.8729 NPC72772
High Similarity 0.8729 NPC106228
High Similarity 0.8689 NPC117445
High Similarity 0.8689 NPC308262
High Similarity 0.8689 NPC208193
High Similarity 0.8672 NPC127656
High Similarity 0.8667 NPC81222
High Similarity 0.8667 NPC19028
High Similarity 0.8667 NPC9674
High Similarity 0.8667 NPC477071
High Similarity 0.8667 NPC291820
High Similarity 0.8655 NPC474483
High Similarity 0.8644 NPC472274
High Similarity 0.8644 NPC178289
High Similarity 0.864 NPC471407
High Similarity 0.8595 NPC281840
High Similarity 0.8595 NPC107607
High Similarity 0.8583 NPC45475
High Similarity 0.8571 NPC471816
High Similarity 0.8559 NPC260665
High Similarity 0.8548 NPC174367
High Similarity 0.8548 NPC47113
High Similarity 0.8537 NPC41129
High Similarity 0.8534 NPC475030
High Similarity 0.8525 NPC202051
High Similarity 0.8512 NPC153085
High Similarity 0.8512 NPC268326
Intermediate Similarity 0.8492 NPC231529
Intermediate Similarity 0.848 NPC287423
Intermediate Similarity 0.848 NPC298841
Intermediate Similarity 0.848 NPC42399
Intermediate Similarity 0.8468 NPC318135
Intermediate Similarity 0.8448 NPC177524
Intermediate Similarity 0.8448 NPC392
Intermediate Similarity 0.8448 NPC219900
Intermediate Similarity 0.8448 NPC230888
Intermediate Similarity 0.8443 NPC472004
Intermediate Similarity 0.8443 NPC476150
Intermediate Similarity 0.8443 NPC476127
Intermediate Similarity 0.843 NPC473617
Intermediate Similarity 0.843 NPC239293
Intermediate Similarity 0.843 NPC473828
Intermediate Similarity 0.8413 NPC473620
Intermediate Similarity 0.8413 NPC477490
Intermediate Similarity 0.8413 NPC473888
Intermediate Similarity 0.8413 NPC114306
Intermediate Similarity 0.8413 NPC245094
Intermediate Similarity 0.8403 NPC178981
Intermediate Similarity 0.8403 NPC102619
Intermediate Similarity 0.8403 NPC477944
Intermediate Similarity 0.8397 NPC79250
Intermediate Similarity 0.8397 NPC290746
Intermediate Similarity 0.839 NPC263827
Intermediate Similarity 0.839 NPC250481
Intermediate Similarity 0.839 NPC285410
Intermediate Similarity 0.8387 NPC473979

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  548.30
ALogP  -1.7053
MLogP  3.77
XLogP  1.494
HDA  9
HBD  3
Rotatable Bonds  11
TPSA  131.75
RO5 Violation  0