Drug Information

Drug ID:  NPD1242
Drug Name:  Resveratrol
Molecular Formula:  C14H12O3
Canonical SMILES:  Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O
Standard InCHI:  InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
Standard InCHIKey:  LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD1242

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 NPC248573
High Similarity 1.0 NPC161571
High Similarity 1.0 NPC275053
High Similarity 0.9785 NPC291789
High Similarity 0.9688 NPC30506
High Similarity 0.9588 NPC292452
High Similarity 0.9479 NPC143659
High Similarity 0.9479 NPC100340
High Similarity 0.9394 NPC176527
High Similarity 0.93 NPC114392
High Similarity 0.93 NPC34864
High Similarity 0.93 NPC105727
High Similarity 0.93 NPC58427
High Similarity 0.9286 NPC102216
High Similarity 0.9286 NPC241891
High Similarity 0.9208 NPC202647
High Similarity 0.9192 NPC134829
High Similarity 0.9149 NPC295295
High Similarity 0.91 NPC109691
High Similarity 0.91 NPC118286
High Similarity 0.91 NPC302681
High Similarity 0.91 NPC248904
High Similarity 0.91 NPC39664
High Similarity 0.91 NPC470700
High Similarity 0.91 NPC39097
High Similarity 0.9091 NPC119860
High Similarity 0.9029 NPC268032
High Similarity 0.9029 NPC476632
High Similarity 0.9029 NPC90520
High Similarity 0.9029 NPC296920
High Similarity 0.9029 NPC4493
High Similarity 0.9029 NPC165770
High Similarity 0.9029 NPC225679
High Similarity 0.901 NPC54844
High Similarity 0.9 NPC474839
High Similarity 0.9 NPC246056
High Similarity 0.898 NPC166761
High Similarity 0.898 NPC10588
High Similarity 0.8958 NPC274678
High Similarity 0.8942 NPC43525
High Similarity 0.8942 NPC280606
High Similarity 0.8942 NPC166995
High Similarity 0.8922 NPC174981
High Similarity 0.8889 NPC284011
High Similarity 0.8889 NPC72947
High Similarity 0.8878 NPC80027
High Similarity 0.8857 NPC117846
High Similarity 0.8835 NPC19808
High Similarity 0.8835 NPC33728
High Similarity 0.88 NPC24404
High Similarity 0.88 NPC302219
High Similarity 0.88 NPC53051
High Similarity 0.88 NPC222522
High Similarity 0.88 NPC71002
High Similarity 0.88 NPC168303
High Similarity 0.88 NPC313030
High Similarity 0.88 NPC242342
High Similarity 0.88 NPC94351
High Similarity 0.88 NPC85479
High Similarity 0.88 NPC106396
High Similarity 0.88 NPC146798
High Similarity 0.88 NPC249828
High Similarity 0.8774 NPC107240
High Similarity 0.8774 NPC228287
High Similarity 0.8774 NPC180508
High Similarity 0.875 NPC94045
High Similarity 0.8738 NPC63698
High Similarity 0.8738 NPC61885
High Similarity 0.87 NPC137415
High Similarity 0.87 NPC11280
High Similarity 0.87 NPC147310
High Similarity 0.87 NPC166313
High Similarity 0.87 NPC294186
High Similarity 0.87 NPC24407
High Similarity 0.87 NPC192032
High Similarity 0.8667 NPC224527
High Similarity 0.8646 NPC45040
High Similarity 0.8614 NPC168393
High Similarity 0.8611 NPC141090
High Similarity 0.8611 NPC203113
High Similarity 0.86 NPC223393
High Similarity 0.8586 NPC32674
High Similarity 0.8571 NPC475018
High Similarity 0.8532 NPC474933
High Similarity 0.8532 NPC195466
High Similarity 0.8532 NPC470760
High Similarity 0.8529 NPC218879
High Similarity 0.8529 NPC244513
High Similarity 0.8529 NPC227458
High Similarity 0.8519 NPC472893
High Similarity 0.8505 NPC261343
Intermediate Similarity 0.8495 NPC265146
Intermediate Similarity 0.8491 NPC255068
Intermediate Similarity 0.8485 NPC292730
Intermediate Similarity 0.8485 NPC82664
Intermediate Similarity 0.8485 NPC132271
Intermediate Similarity 0.8485 NPC216520
Intermediate Similarity 0.8469 NPC128062
Intermediate Similarity 0.8469 NPC151715
Intermediate Similarity 0.8469 NPC76938
Intermediate Similarity 0.8462 NPC61033
Intermediate Similarity 0.8462 NPC158253
Intermediate Similarity 0.8462 NPC204901
Intermediate Similarity 0.8462 NPC305603
Intermediate Similarity 0.8462 NPC232523
Intermediate Similarity 0.8455 NPC144343
Intermediate Similarity 0.8447 NPC37802
Intermediate Similarity 0.844 NPC115808
Intermediate Similarity 0.8426 NPC22610
Intermediate Similarity 0.8426 NPC276737
Intermediate Similarity 0.8404 NPC175313
Intermediate Similarity 0.8404 NPC150837
Intermediate Similarity 0.8404 NPC248817
Intermediate Similarity 0.8396 NPC224870
Intermediate Similarity 0.8384 NPC26244
Intermediate Similarity 0.8384 NPC32714
Intermediate Similarity 0.8381 NPC95344
Intermediate Similarity 0.8378 NPC217174
Intermediate Similarity 0.8378 NPC226629
Intermediate Similarity 0.8365 NPC201662
Intermediate Similarity 0.8365 NPC67250
Intermediate Similarity 0.8365 NPC164576
Intermediate Similarity 0.8365 NPC12640
Intermediate Similarity 0.8365 NPC99836
Intermediate Similarity 0.8364 NPC277588
Intermediate Similarity 0.8351 NPC300478
Intermediate Similarity 0.835 NPC474603
Intermediate Similarity 0.835 NPC471511
Intermediate Similarity 0.835 NPC12987
Intermediate Similarity 0.8349 NPC167934
Intermediate Similarity 0.8349 NPC246760
Intermediate Similarity 0.8349 NPC808
Intermediate Similarity 0.8349 NPC53906
Intermediate Similarity 0.8349 NPC84999
Intermediate Similarity 0.8333 NPC23804
Intermediate Similarity 0.8333 NPC27974
Intermediate Similarity 0.8333 NPC104216
Intermediate Similarity 0.8317 NPC92730
Intermediate Similarity 0.8316 NPC197783
Intermediate Similarity 0.8304 NPC247364
Intermediate Similarity 0.8304 NPC232084
Intermediate Similarity 0.8304 NPC10932
Intermediate Similarity 0.8304 NPC223451
Intermediate Similarity 0.8304 NPC61516
Intermediate Similarity 0.8304 NPC69006
Intermediate Similarity 0.8304 NPC474565
Intermediate Similarity 0.8304 NPC472071
Intermediate Similarity 0.8302 NPC186385
Intermediate Similarity 0.8302 NPC299568
Intermediate Similarity 0.8302 NPC82016
Intermediate Similarity 0.83 NPC473388
Intermediate Similarity 0.8298 NPC124436
Intermediate Similarity 0.8273 NPC150624
Intermediate Similarity 0.8269 NPC239291
Intermediate Similarity 0.8241 NPC473521
Intermediate Similarity 0.8235 NPC294741
Intermediate Similarity 0.8235 NPC213730
Intermediate Similarity 0.823 NPC248363
Intermediate Similarity 0.823 NPC166759
Intermediate Similarity 0.823 NPC102639
Intermediate Similarity 0.823 NPC24125
Intermediate Similarity 0.8229 NPC184169
Intermediate Similarity 0.8229 NPC23167
Intermediate Similarity 0.8224 NPC242178
Intermediate Similarity 0.8218 NPC201967
Intermediate Similarity 0.8218 NPC156313
Intermediate Similarity 0.8218 NPC109955
Intermediate Similarity 0.8218 NPC225464
Intermediate Similarity 0.8214 NPC191866
Intermediate Similarity 0.82 NPC107522
Intermediate Similarity 0.82 NPC313650
Intermediate Similarity 0.8198 NPC244816
Intermediate Similarity 0.8198 NPC470759
Intermediate Similarity 0.8198 NPC50521
Intermediate Similarity 0.8198 NPC221549
Intermediate Similarity 0.8198 NPC33270
Intermediate Similarity 0.8198 NPC69261
Intermediate Similarity 0.8198 NPC15860
Intermediate Similarity 0.8198 NPC219070
Intermediate Similarity 0.8198 NPC127894
Intermediate Similarity 0.819 NPC54765
Intermediate Similarity 0.8182 NPC464
Intermediate Similarity 0.8182 NPC185541
Intermediate Similarity 0.8173 NPC327811
Intermediate Similarity 0.8173 NPC12278
Intermediate Similarity 0.8173 NPC254965
Intermediate Similarity 0.8172 NPC270094
Intermediate Similarity 0.8165 NPC263753
Intermediate Similarity 0.8163 NPC300017
Intermediate Similarity 0.8163 NPC312304
Intermediate Similarity 0.8163 NPC192
Intermediate Similarity 0.8158 NPC237667
Intermediate Similarity 0.8158 NPC476633
Intermediate Similarity 0.8155 NPC91461
Intermediate Similarity 0.8155 NPC12221
Intermediate Similarity 0.8155 NPC7686
Intermediate Similarity 0.8155 NPC40258
Intermediate Similarity 0.8144 NPC25493
Intermediate Similarity 0.8144 NPC113460
Intermediate Similarity 0.8144 NPC19680

Drug Structure

External Identifiers

TTD   DCL000234; DNC001205
DrugBank   DB02709
ChEMBL   CHEMBL165
IUPHAR/BPS  
PharmaGKB   PA165291843
KEGG Drug  
PubChem CID   445154
ChEBI   45713
CAS Number  501-36-0

Drug Properties

Molecular Weight  228.08
ALogP  -0.9131
MLogP  2.67
XLogP  3.436
HDA  0
HBD  3
Rotatable Bonds  5
TPSA  60.69
RO5 Violation  0