Drug Information

Drug ID:  NPD6651
Drug Name:  
Molecular Formula:  C26H34O8
Canonical SMILES:  CCCC(=O)c1c(O)c(CC2(C)C(=C(C)C(=C(C2=O)C(=O)C(CC)C)O)O)c(c(c1OC)C)O
Standard InCHI:  InChI=1S/C26H34O8/c1-8-10-16(27)17-22(31)15(20(29)13(4)23(17)34-7)11-26(6)24(32)14(5)21(30)18(25(26)33)19(28)12(3)9-2/h12,29-32H,8-11H2,1-7H3
Standard InCHIKey:  NQGCBDWQKDAGTK-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD6651

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 0.9474 NPC477056
High Similarity 0.9474 NPC477055
High Similarity 0.9457 NPC279566
High Similarity 0.938 NPC186628
High Similarity 0.9242 NPC16197
High Similarity 0.9197 NPC325346
High Similarity 0.9167 NPC215875
High Similarity 0.9167 NPC15834
High Similarity 0.9124 NPC316911
High Similarity 0.9124 NPC316560
High Similarity 0.9111 NPC255801
High Similarity 0.9111 NPC322301
High Similarity 0.9058 NPC321148
High Similarity 0.9058 NPC323884
High Similarity 0.9058 NPC326193
High Similarity 0.9058 NPC321629
High Similarity 0.9055 NPC66252
High Similarity 0.9044 NPC180501
High Similarity 0.9044 NPC54820
High Similarity 0.9044 NPC268178
High Similarity 0.9023 NPC285054
High Similarity 0.9015 NPC324482
High Similarity 0.8986 NPC111201
High Similarity 0.8978 NPC270913
High Similarity 0.8947 NPC27490
High Similarity 0.8939 NPC84772
High Similarity 0.8923 NPC328983
High Similarity 0.8913 NPC164697
High Similarity 0.8913 NPC289660
High Similarity 0.8913 NPC82920
High Similarity 0.8889 NPC103842
High Similarity 0.8872 NPC250057
High Similarity 0.8864 NPC230818
High Similarity 0.8864 NPC73203
High Similarity 0.8855 NPC329205
High Similarity 0.8855 NPC316625
High Similarity 0.8849 NPC476508
High Similarity 0.8846 NPC290466
High Similarity 0.8841 NPC240305
High Similarity 0.8832 NPC153979
High Similarity 0.8824 NPC13575
High Similarity 0.8824 NPC156092
High Similarity 0.8824 NPC101752
High Similarity 0.8786 NPC297600
High Similarity 0.8777 NPC11056
High Similarity 0.8768 NPC248995
High Similarity 0.8768 NPC254168
High Similarity 0.8768 NPC219584
High Similarity 0.8768 NPC272844
High Similarity 0.8768 NPC470083
High Similarity 0.8759 NPC12165
High Similarity 0.8759 NPC1486
High Similarity 0.8759 NPC186838
High Similarity 0.8759 NPC156910
High Similarity 0.8759 NPC98115
High Similarity 0.8759 NPC168105
High Similarity 0.8759 NPC477244
High Similarity 0.8759 NPC150399
High Similarity 0.8759 NPC174999
High Similarity 0.8759 NPC477243
High Similarity 0.8759 NPC41461
High Similarity 0.8759 NPC25287
High Similarity 0.8759 NPC473770
High Similarity 0.8759 NPC66349
High Similarity 0.8759 NPC477242
High Similarity 0.8759 NPC475131
High Similarity 0.8759 NPC473509
High Similarity 0.8759 NPC249606
High Similarity 0.8759 NPC274109
High Similarity 0.8741 NPC103105
High Similarity 0.8722 NPC69235
High Similarity 0.8722 NPC212379
High Similarity 0.8705 NPC477956
High Similarity 0.8705 NPC241975
High Similarity 0.8705 NPC19476
High Similarity 0.8696 NPC474624
High Similarity 0.8696 NPC317119
High Similarity 0.8696 NPC131782
High Similarity 0.8696 NPC138047
High Similarity 0.8696 NPC472419
High Similarity 0.8686 NPC131039
High Similarity 0.8676 NPC159623
High Similarity 0.8676 NPC294593
High Similarity 0.8676 NPC82225
High Similarity 0.8676 NPC20560
High Similarity 0.8676 NPC144051
High Similarity 0.8676 NPC18877
High Similarity 0.8676 NPC28753
High Similarity 0.8676 NPC204960
High Similarity 0.8667 NPC185624
High Similarity 0.8662 NPC328623
High Similarity 0.8647 NPC475553
High Similarity 0.8647 NPC164894
High Similarity 0.8643 NPC265178
High Similarity 0.8643 NPC471587
High Similarity 0.8643 NPC477272
High Similarity 0.8633 NPC183639
High Similarity 0.8633 NPC470672
High Similarity 0.8633 NPC251681
High Similarity 0.8633 NPC199458
High Similarity 0.8633 NPC131130
High Similarity 0.8633 NPC474504
High Similarity 0.8633 NPC470669
High Similarity 0.8633 NPC243528
High Similarity 0.8633 NPC471620
High Similarity 0.8633 NPC470668
High Similarity 0.8633 NPC474487
High Similarity 0.8633 NPC470671
High Similarity 0.8633 NPC21350
High Similarity 0.8623 NPC470983
High Similarity 0.8623 NPC470982
High Similarity 0.8613 NPC125920
High Similarity 0.8613 NPC164136
High Similarity 0.8613 NPC144027
High Similarity 0.8613 NPC286336
High Similarity 0.8613 NPC236974
High Similarity 0.8605 NPC229649
High Similarity 0.8592 NPC307895
High Similarity 0.8592 NPC470553
High Similarity 0.8582 NPC126534
High Similarity 0.8582 NPC157497
High Similarity 0.8582 NPC40118
High Similarity 0.8582 NPC285659
High Similarity 0.8582 NPC81337
High Similarity 0.8582 NPC282300
High Similarity 0.8582 NPC232021
High Similarity 0.8571 NPC283429
High Similarity 0.8571 NPC470211
High Similarity 0.8571 NPC472366
High Similarity 0.8571 NPC217186
High Similarity 0.8571 NPC128428
High Similarity 0.8571 NPC53181
High Similarity 0.8571 NPC472343
High Similarity 0.8571 NPC23257
High Similarity 0.8571 NPC305518
High Similarity 0.8571 NPC139554
High Similarity 0.8561 NPC23870
High Similarity 0.8551 NPC60667
High Similarity 0.8551 NPC84699
High Similarity 0.854 NPC337373
High Similarity 0.854 NPC108113
High Similarity 0.854 NPC93756
High Similarity 0.854 NPC312318
High Similarity 0.854 NPC139813
High Similarity 0.854 NPC27643
High Similarity 0.854 NPC470984
High Similarity 0.854 NPC242294
High Similarity 0.854 NPC192304
High Similarity 0.854 NPC263670
High Similarity 0.854 NPC188646
High Similarity 0.854 NPC472365
High Similarity 0.854 NPC175098
High Similarity 0.854 NPC56031
High Similarity 0.8531 NPC118059
High Similarity 0.8531 NPC476055
High Similarity 0.8531 NPC470673
High Similarity 0.8531 NPC282957
High Similarity 0.8531 NPC235217
High Similarity 0.8531 NPC288910
High Similarity 0.8531 NPC133060
High Similarity 0.8531 NPC194949
High Similarity 0.8531 NPC470554
High Similarity 0.8531 NPC117716
High Similarity 0.8531 NPC473014
High Similarity 0.8531 NPC470674
High Similarity 0.8529 NPC475009
High Similarity 0.8529 NPC186097
High Similarity 0.8529 NPC475008
High Similarity 0.8521 NPC472344
High Similarity 0.8521 NPC470556
High Similarity 0.8521 NPC204469
High Similarity 0.8521 NPC226942
High Similarity 0.8521 NPC112829
High Similarity 0.8521 NPC470636
High Similarity 0.8521 NPC276565
High Similarity 0.8521 NPC96791
High Similarity 0.8519 NPC21378
High Similarity 0.8519 NPC470987
High Similarity 0.8514 NPC470344
High Similarity 0.8511 NPC253822
High Similarity 0.8511 NPC259166
High Similarity 0.8511 NPC80962
High Similarity 0.8511 NPC326109
High Similarity 0.8511 NPC204985
High Similarity 0.8511 NPC213659
High Similarity 0.8511 NPC48624
High Similarity 0.8511 NPC144118
High Similarity 0.8511 NPC159275
High Similarity 0.8511 NPC172250
High Similarity 0.8511 NPC215311
High Similarity 0.8511 NPC469818
High Similarity 0.8511 NPC241100
High Similarity 0.8511 NPC219917
High Similarity 0.85 NPC472368
Intermediate Similarity 0.8489 NPC470397
Intermediate Similarity 0.8489 NPC470985
Intermediate Similarity 0.8489 NPC187826
Intermediate Similarity 0.8489 NPC213603
Intermediate Similarity 0.8489 NPC24394
Intermediate Similarity 0.8489 NPC470398

Drug Structure

External Identifiers

TTD   DNAP001617
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   128292
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  474.23
ALogP  -0.477
MLogP  3.44
XLogP  2.994
HDA  5
HBD  4
Rotatable Bonds  20
TPSA  141.36
RO5 Violation  0