Drug Information

Drug ID:  NPD3817
Drug Name:  recoflavone (eye drops, xerophthalmia), Dong-A
Molecular Formula:  C20H18O8
Canonical SMILES:  COc1cc(OCC(=O)O)cc2c1c(=O)cc(o2)c1ccc(c(c1)OC)OC
Standard InCHI:  InChI=1S/C20H18O8/c1-24-14-5-4-11(6-16(14)25-2)15-9-13(21)20-17(26-3)7-12(8-18(20)28-15)27-10-19(22)23/h4-9H,10H2,1-3H3,(H,22,23)
Standard InCHIKey:  BCPQOBQIVJZOFL-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3817

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 0.9662 NPC474170
High Similarity 0.9662 NPC474388
High Similarity 0.9662 NPC472535
High Similarity 0.9595 NPC177839
High Similarity 0.947 NPC122623
High Similarity 0.947 NPC276059
High Similarity 0.947 NPC471746
High Similarity 0.947 NPC34725
High Similarity 0.947 NPC241774
High Similarity 0.9459 NPC261548
High Similarity 0.9456 NPC310259
High Similarity 0.9416 NPC112418
High Similarity 0.9408 NPC257277
High Similarity 0.9404 NPC162351
High Similarity 0.9404 NPC179126
High Similarity 0.9404 NPC270620
High Similarity 0.9404 NPC236223
High Similarity 0.9404 NPC58382
High Similarity 0.9404 NPC78326
High Similarity 0.94 NPC76376
High Similarity 0.94 NPC236769
High Similarity 0.9392 NPC299923
High Similarity 0.9355 NPC471745
High Similarity 0.9351 NPC471744
High Similarity 0.9338 NPC123886
High Similarity 0.9338 NPC134677
High Similarity 0.9338 NPC279989
High Similarity 0.9338 NPC82325
High Similarity 0.9333 NPC201547
High Similarity 0.9333 NPC219330
High Similarity 0.9333 NPC50728
High Similarity 0.9333 NPC259058
High Similarity 0.9333 NPC166753
High Similarity 0.9286 NPC288669
High Similarity 0.9286 NPC25495
High Similarity 0.9286 NPC18772
High Similarity 0.9286 NPC7846
High Similarity 0.9286 NPC105242
High Similarity 0.9286 NPC9609
High Similarity 0.9286 NPC204854
High Similarity 0.9286 NPC143828
High Similarity 0.9286 NPC115798
High Similarity 0.9286 NPC191459
High Similarity 0.9286 NPC130894
High Similarity 0.9286 NPC152166
High Similarity 0.9286 NPC300943
High Similarity 0.9286 NPC261004
High Similarity 0.9286 NPC4481
High Similarity 0.9286 NPC19687
High Similarity 0.9286 NPC176300
High Similarity 0.9286 NPC253634
High Similarity 0.9286 NPC18607
High Similarity 0.9286 NPC22472
High Similarity 0.9281 NPC100916
High Similarity 0.9281 NPC55619
High Similarity 0.9281 NPC200388
High Similarity 0.9281 NPC265511
High Similarity 0.9281 NPC178854
High Similarity 0.9276 NPC246204
High Similarity 0.9272 NPC200740
High Similarity 0.9272 NPC125062
High Similarity 0.9272 NPC133953
High Similarity 0.9272 NPC252933
High Similarity 0.9272 NPC54394
High Similarity 0.9272 NPC28274
High Similarity 0.9272 NPC50403
High Similarity 0.9267 NPC181250
High Similarity 0.9267 NPC69752
High Similarity 0.9267 NPC159103
High Similarity 0.9252 NPC70853
High Similarity 0.9252 NPC9966
High Similarity 0.9221 NPC29841
High Similarity 0.9221 NPC305663
High Similarity 0.9221 NPC471515
High Similarity 0.9221 NPC235215
High Similarity 0.9221 NPC78302
High Similarity 0.9221 NPC471479
High Similarity 0.9221 NPC7973
High Similarity 0.9221 NPC287979
High Similarity 0.9221 NPC224137
High Similarity 0.9221 NPC472438
High Similarity 0.9221 NPC75215
High Similarity 0.9221 NPC110070
High Similarity 0.9221 NPC163524
High Similarity 0.9221 NPC227192
High Similarity 0.9221 NPC93376
High Similarity 0.9221 NPC203891
High Similarity 0.9221 NPC189179
High Similarity 0.9221 NPC176665
High Similarity 0.9221 NPC101830
High Similarity 0.9216 NPC32557
High Similarity 0.9216 NPC189960
High Similarity 0.9211 NPC55205
High Similarity 0.9205 NPC286342
High Similarity 0.9205 NPC188871
High Similarity 0.9205 NPC149127
High Similarity 0.92 NPC195202
High Similarity 0.9189 NPC113089
High Similarity 0.9187 NPC153755
High Similarity 0.9184 NPC29536
High Similarity 0.9182 NPC280493
High Similarity 0.9161 NPC193842
High Similarity 0.9156 NPC471500
High Similarity 0.9156 NPC245546
High Similarity 0.9156 NPC98661
High Similarity 0.9156 NPC247017
High Similarity 0.9156 NPC292107
High Similarity 0.9156 NPC268161
High Similarity 0.9156 NPC49824
High Similarity 0.9156 NPC266960
High Similarity 0.9156 NPC303255
High Similarity 0.9156 NPC474520
High Similarity 0.9156 NPC43243
High Similarity 0.915 NPC86485
High Similarity 0.915 NPC186507
High Similarity 0.9145 NPC260895
High Similarity 0.9139 NPC137062
High Similarity 0.9139 NPC287101
High Similarity 0.9139 NPC270465
High Similarity 0.9139 NPC223579
High Similarity 0.9139 NPC177298
High Similarity 0.9139 NPC48479
High Similarity 0.9139 NPC52005
High Similarity 0.9139 NPC183950
High Similarity 0.9139 NPC87125
High Similarity 0.9133 NPC33265
High Similarity 0.9133 NPC12200
High Similarity 0.9133 NPC62536
High Similarity 0.9133 NPC117463
High Similarity 0.9133 NPC85233
High Similarity 0.913 NPC4390
High Similarity 0.9128 NPC136278
High Similarity 0.9128 NPC471590
High Similarity 0.9125 NPC116864
High Similarity 0.9125 NPC244776
High Similarity 0.9103 NPC130955
High Similarity 0.9097 NPC108456
High Similarity 0.9097 NPC174908
High Similarity 0.9097 NPC183851
High Similarity 0.9097 NPC67876
High Similarity 0.9097 NPC63454
High Similarity 0.9091 NPC213622
High Similarity 0.9091 NPC2476
High Similarity 0.9091 NPC201136
High Similarity 0.9091 NPC4455
High Similarity 0.9091 NPC50715
High Similarity 0.9091 NPC201451
High Similarity 0.9091 NPC26227
High Similarity 0.9091 NPC284353
High Similarity 0.9091 NPC146165
High Similarity 0.9091 NPC138360
High Similarity 0.9091 NPC280339
High Similarity 0.9091 NPC80534
High Similarity 0.9091 NPC92659
High Similarity 0.9091 NPC183597
High Similarity 0.9091 NPC133392
High Similarity 0.9091 NPC214138
High Similarity 0.9091 NPC163780
High Similarity 0.9091 NPC196439
High Similarity 0.9091 NPC128863
High Similarity 0.9091 NPC167815
High Similarity 0.9091 NPC56786
High Similarity 0.9091 NPC227325
High Similarity 0.9091 NPC44079
High Similarity 0.9085 NPC60972
High Similarity 0.9085 NPC301123
High Similarity 0.9085 NPC39732
High Similarity 0.9085 NPC289968
High Similarity 0.9074 NPC264735
High Similarity 0.9073 NPC120464
High Similarity 0.9068 NPC476370
High Similarity 0.9068 NPC175107
High Similarity 0.9068 NPC190003
High Similarity 0.9067 NPC283002
High Similarity 0.9067 NPC40818
High Similarity 0.9067 NPC106461
High Similarity 0.9067 NPC215932
High Similarity 0.9067 NPC302408
High Similarity 0.9067 NPC14958
High Similarity 0.9067 NPC110639
High Similarity 0.9062 NPC120099
High Similarity 0.9062 NPC225434
High Similarity 0.9062 NPC203050
High Similarity 0.9062 NPC219904
High Similarity 0.9062 NPC223747
High Similarity 0.906 NPC293201
High Similarity 0.9057 NPC475214
High Similarity 0.9051 NPC470459
High Similarity 0.9045 NPC182045
High Similarity 0.9045 NPC471499
High Similarity 0.9038 NPC238405
High Similarity 0.9038 NPC104459
High Similarity 0.9038 NPC172202
High Similarity 0.9038 NPC152904
High Similarity 0.9038 NPC284127
High Similarity 0.9038 NPC257914
High Similarity 0.9038 NPC476410
High Similarity 0.9032 NPC250922
High Similarity 0.9032 NPC474983
High Similarity 0.9032 NPC320825

Drug Structure

External Identifiers

TTD   DIB001263
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  386.10
ALogP  -1.2547
MLogP  2.78
XLogP  2.062
HDA  3
HBD  1
Rotatable Bonds  11
TPSA  100.52
RO5 Violation  0