Drug Information

Drug ID:  NPD5123
Drug Name:  
Molecular Formula:  C22H26O5
Canonical SMILES:  CCCc1cc(=O)oc2c1c1OC(C)(C)C=Cc1c1c2C(O)C(C(O1)C)C
Standard InCHI:  InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3
Standard InCHIKey:  NIDRYBLTWYFCFV-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD5123

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 NPC205797
High Similarity 1.0 NPC241165
High Similarity 1.0 NPC142563
High Similarity 1.0 NPC291551
High Similarity 1.0 NPC1220
High Similarity 1.0 NPC141822
High Similarity 0.9688 NPC469965
High Similarity 0.9618 NPC35501
High Similarity 0.9618 NPC144512
High Similarity 0.9618 NPC47040
High Similarity 0.9618 NPC137262
High Similarity 0.9618 NPC37428
High Similarity 0.9618 NPC278600
High Similarity 0.9603 NPC293642
High Similarity 0.9603 NPC139595
High Similarity 0.9603 NPC60704
High Similarity 0.9237 NPC469955
High Similarity 0.9237 NPC469952
High Similarity 0.9213 NPC202594
High Similarity 0.9213 NPC232692
High Similarity 0.9179 NPC279573
High Similarity 0.9091 NPC31849
High Similarity 0.9058 NPC469701
High Similarity 0.9055 NPC50720
High Similarity 0.9044 NPC195357
High Similarity 0.9044 NPC152771
High Similarity 0.9044 NPC287286
High Similarity 0.9037 NPC211110
High Similarity 0.9023 NPC131950
High Similarity 0.9015 NPC469956
High Similarity 0.8976 NPC150214
High Similarity 0.8971 NPC312881
High Similarity 0.8963 NPC184861
High Similarity 0.8963 NPC153818
High Similarity 0.8963 NPC225106
High Similarity 0.8963 NPC232246
High Similarity 0.8963 NPC294456
High Similarity 0.8963 NPC281014
High Similarity 0.8963 NPC212124
High Similarity 0.8939 NPC37009
High Similarity 0.8939 NPC66430
High Similarity 0.8923 NPC258567
High Similarity 0.8923 NPC224774
High Similarity 0.8923 NPC121740
High Similarity 0.8921 NPC106126
High Similarity 0.8921 NPC108994
High Similarity 0.8906 NPC143725
High Similarity 0.8897 NPC151946
High Similarity 0.8889 NPC78746
High Similarity 0.8889 NPC188380
High Similarity 0.8889 NPC224543
High Similarity 0.8889 NPC26954
High Similarity 0.8889 NPC38099
High Similarity 0.8881 NPC180716
High Similarity 0.8881 NPC326600
High Similarity 0.8881 NPC204353
High Similarity 0.8881 NPC62366
High Similarity 0.8881 NPC224475
High Similarity 0.8881 NPC213173
High Similarity 0.8881 NPC50896
High Similarity 0.8872 NPC194277
High Similarity 0.8864 NPC113098
High Similarity 0.8864 NPC32463
High Similarity 0.8855 NPC469453
High Similarity 0.8855 NPC185066
High Similarity 0.8837 NPC291899
High Similarity 0.8832 NPC71903
High Similarity 0.8824 NPC155963
High Similarity 0.8815 NPC86892
High Similarity 0.8815 NPC472424
High Similarity 0.8815 NPC281241
High Similarity 0.8815 NPC472525
High Similarity 0.8815 NPC471909
High Similarity 0.8815 NPC471625
High Similarity 0.8806 NPC318400
High Similarity 0.8806 NPC207002
High Similarity 0.8806 NPC167111
High Similarity 0.8806 NPC471910
High Similarity 0.8806 NPC83535
High Similarity 0.8806 NPC133956
High Similarity 0.8806 NPC296624
High Similarity 0.8797 NPC272650
High Similarity 0.8797 NPC267336
High Similarity 0.8797 NPC29734
High Similarity 0.8786 NPC43716
High Similarity 0.8786 NPC101255
High Similarity 0.8786 NPC475719
High Similarity 0.8779 NPC243688
High Similarity 0.8779 NPC289316
High Similarity 0.8768 NPC138149
High Similarity 0.8768 NPC170812
High Similarity 0.875 NPC149320
High Similarity 0.875 NPC128529
High Similarity 0.875 NPC160727
High Similarity 0.875 NPC471630
High Similarity 0.875 NPC55615
High Similarity 0.875 NPC476455
High Similarity 0.875 NPC177281
High Similarity 0.875 NPC283019
High Similarity 0.8741 NPC267412
High Similarity 0.8741 NPC287182
High Similarity 0.8741 NPC47163
High Similarity 0.8741 NPC195343
High Similarity 0.8741 NPC84894
High Similarity 0.8741 NPC319859
High Similarity 0.8741 NPC164269
High Similarity 0.8741 NPC127888
High Similarity 0.8741 NPC18804
High Similarity 0.8741 NPC198381
High Similarity 0.8741 NPC166672
High Similarity 0.8741 NPC74655
High Similarity 0.8741 NPC100986
High Similarity 0.8741 NPC260265
High Similarity 0.8705 NPC93640
High Similarity 0.8705 NPC20631
High Similarity 0.8702 NPC163248
High Similarity 0.8702 NPC471826
High Similarity 0.8692 NPC73413
High Similarity 0.8692 NPC27671
High Similarity 0.8692 NPC201667
High Similarity 0.8686 NPC131198
High Similarity 0.8667 NPC163557
High Similarity 0.8662 NPC471764
High Similarity 0.8662 NPC87950
High Similarity 0.8652 NPC85624
High Similarity 0.8647 NPC168710
High Similarity 0.8643 NPC201820
High Similarity 0.8636 NPC149796
High Similarity 0.8626 NPC471828
High Similarity 0.8626 NPC244495
High Similarity 0.8626 NPC471827
High Similarity 0.8626 NPC93219
High Similarity 0.8615 NPC273772
High Similarity 0.8615 NPC173350
High Similarity 0.8615 NPC290605
High Similarity 0.8615 NPC472518
High Similarity 0.8615 NPC154176
High Similarity 0.8615 NPC109675
High Similarity 0.8603 NPC98179
High Similarity 0.8603 NPC253574
High Similarity 0.8601 NPC285748
High Similarity 0.8601 NPC169510
High Similarity 0.8601 NPC177995
High Similarity 0.8601 NPC474108
High Similarity 0.8593 NPC14248
High Similarity 0.8582 NPC80170
High Similarity 0.8582 NPC471824
High Similarity 0.8571 NPC472519
High Similarity 0.8561 NPC276212
High Similarity 0.855 NPC111347
High Similarity 0.854 NPC33986
High Similarity 0.8538 NPC248429
High Similarity 0.8538 NPC13007
High Similarity 0.8538 NPC96286
High Similarity 0.8538 NPC257188
High Similarity 0.8531 NPC296377
High Similarity 0.8529 NPC469449
High Similarity 0.8529 NPC2363
High Similarity 0.8529 NPC222036
High Similarity 0.8529 NPC7526
High Similarity 0.8529 NPC77196
High Similarity 0.8521 NPC226722
High Similarity 0.8521 NPC295696
High Similarity 0.8519 NPC244888
High Similarity 0.8519 NPC68205
High Similarity 0.8519 NPC118683
High Similarity 0.8519 NPC164804
High Similarity 0.8519 NPC293203
High Similarity 0.8519 NPC250727
High Similarity 0.8519 NPC211413
High Similarity 0.8511 NPC229916
High Similarity 0.8511 NPC470555
High Similarity 0.8507 NPC134360
High Similarity 0.85 NPC279851
High Similarity 0.85 NPC472520
Intermediate Similarity 0.8489 NPC470209
Intermediate Similarity 0.8485 NPC168259
Intermediate Similarity 0.8485 NPC285040
Intermediate Similarity 0.8485 NPC188022
Intermediate Similarity 0.8485 NPC17809
Intermediate Similarity 0.8485 NPC102540
Intermediate Similarity 0.8485 NPC103420
Intermediate Similarity 0.8483 NPC164205
Intermediate Similarity 0.8483 NPC103116
Intermediate Similarity 0.8483 NPC104236
Intermediate Similarity 0.8483 NPC19238
Intermediate Similarity 0.8473 NPC315807
Intermediate Similarity 0.8467 NPC225696
Intermediate Similarity 0.8467 NPC198154
Intermediate Similarity 0.8467 NPC307412
Intermediate Similarity 0.8467 NPC115335
Intermediate Similarity 0.8467 NPC55149
Intermediate Similarity 0.8467 NPC296915
Intermediate Similarity 0.8467 NPC97834
Intermediate Similarity 0.8467 NPC223008
Intermediate Similarity 0.8462 NPC52247
Intermediate Similarity 0.8462 NPC187868
Intermediate Similarity 0.8456 NPC19157
Intermediate Similarity 0.8451 NPC471763
Intermediate Similarity 0.844 NPC221173

Drug Structure

External Identifiers

TTD   DIB016345
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  370.18
ALogP  0.2774
MLogP  3.33
XLogP  3.505
HDA  2
HBD  1
Rotatable Bonds  8
TPSA  64.99
RO5 Violation  0