Drug Information

Drug ID:  NPD1510
Drug Name:  Genistein
Molecular Formula:  C15H10O5
Canonical SMILES:  Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O
Standard InCHI:  InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
Standard InCHIKey:  TZBJGXHYKVUXJN-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD1510

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 NPC39426
High Similarity 1.0 NPC234560
High Similarity 0.9923 NPC235428
High Similarity 0.9923 NPC87545
High Similarity 0.9847 NPC209560
High Similarity 0.9847 NPC181124
High Similarity 0.9847 NPC162680
High Similarity 0.9847 NPC7013
High Similarity 0.9847 NPC212767
High Similarity 0.9847 NPC294409
High Similarity 0.9847 NPC303644
High Similarity 0.9847 NPC116632
High Similarity 0.9773 NPC309154
High Similarity 0.9773 NPC90665
High Similarity 0.9773 NPC12175
High Similarity 0.9773 NPC279668
High Similarity 0.9773 NPC55162
High Similarity 0.9773 NPC278323
High Similarity 0.9771 NPC193792
High Similarity 0.9699 NPC295384
High Similarity 0.9627 NPC215311
High Similarity 0.9627 NPC204985
High Similarity 0.9627 NPC101366
High Similarity 0.9627 NPC80962
High Similarity 0.9627 NPC172250
High Similarity 0.9627 NPC48624
High Similarity 0.9627 NPC326109
High Similarity 0.9627 NPC259166
High Similarity 0.9627 NPC144118
High Similarity 0.9627 NPC219917
High Similarity 0.9627 NPC213659
High Similarity 0.9556 NPC26051
High Similarity 0.9556 NPC55832
High Similarity 0.9556 NPC52789
High Similarity 0.9556 NPC469404
High Similarity 0.9556 NPC268204
High Similarity 0.9552 NPC283429
High Similarity 0.9538 NPC313618
High Similarity 0.9535 NPC185497
High Similarity 0.9481 NPC253822
High Similarity 0.9478 NPC147686
High Similarity 0.9478 NPC472460
High Similarity 0.9478 NPC329225
High Similarity 0.947 NPC286336
High Similarity 0.947 NPC172262
High Similarity 0.9466 NPC212631
High Similarity 0.9466 NPC205468
High Similarity 0.9466 NPC87231
High Similarity 0.9466 NPC129132
High Similarity 0.9466 NPC257756
High Similarity 0.9466 NPC182428
High Similarity 0.9457 NPC60558
High Similarity 0.9416 NPC117836
High Similarity 0.9416 NPC38065
High Similarity 0.9416 NPC51887
High Similarity 0.9416 NPC475705
High Similarity 0.9416 NPC242893
High Similarity 0.9416 NPC476178
High Similarity 0.9407 NPC201541
High Similarity 0.9407 NPC316480
High Similarity 0.9407 NPC261234
High Similarity 0.9403 NPC250266
High Similarity 0.9403 NPC287246
High Similarity 0.9403 NPC476480
High Similarity 0.9403 NPC79943
High Similarity 0.9403 NPC295261
High Similarity 0.9403 NPC266597
High Similarity 0.9403 NPC275055
High Similarity 0.9403 NPC290291
High Similarity 0.9403 NPC84585
High Similarity 0.9403 NPC107586
High Similarity 0.9403 NPC296490
High Similarity 0.9403 NPC228661
High Similarity 0.9403 NPC32441
High Similarity 0.9403 NPC243083
High Similarity 0.9403 NPC13768
High Similarity 0.9403 NPC12296
High Similarity 0.9398 NPC239495
High Similarity 0.9398 NPC9985
High Similarity 0.9394 NPC192304
High Similarity 0.9394 NPC139813
High Similarity 0.9394 NPC82225
High Similarity 0.9394 NPC337373
High Similarity 0.9394 NPC18877
High Similarity 0.9394 NPC188646
High Similarity 0.9394 NPC56031
High Similarity 0.9394 NPC175098
High Similarity 0.9394 NPC144051
High Similarity 0.9394 NPC50898
High Similarity 0.9394 NPC159623
High Similarity 0.9394 NPC213216
High Similarity 0.9394 NPC263670
High Similarity 0.9394 NPC274121
High Similarity 0.9394 NPC28753
High Similarity 0.9394 NPC78540
High Similarity 0.9394 NPC20560
High Similarity 0.9394 NPC294593
High Similarity 0.9394 NPC204960
High Similarity 0.9394 NPC242294
High Similarity 0.9394 NPC57601
High Similarity 0.9394 NPC223354
High Similarity 0.9394 NPC312318
High Similarity 0.9394 NPC472365
High Similarity 0.9389 NPC262359
High Similarity 0.9389 NPC308037
High Similarity 0.9389 NPC64359
High Similarity 0.9348 NPC476055
High Similarity 0.9343 NPC202981
High Similarity 0.9333 NPC280284
High Similarity 0.9333 NPC188947
High Similarity 0.9333 NPC118813
High Similarity 0.9333 NPC99333
High Similarity 0.9333 NPC124269
High Similarity 0.9333 NPC21350
High Similarity 0.9328 NPC472364
High Similarity 0.9328 NPC29353
High Similarity 0.9328 NPC66349
High Similarity 0.9328 NPC234133
High Similarity 0.9328 NPC249606
High Similarity 0.9328 NPC1486
High Similarity 0.9328 NPC12165
High Similarity 0.9328 NPC150399
High Similarity 0.9328 NPC124784
High Similarity 0.9328 NPC47815
High Similarity 0.9328 NPC477242
High Similarity 0.9328 NPC194281
High Similarity 0.9328 NPC274109
High Similarity 0.9328 NPC41461
High Similarity 0.9328 NPC168105
High Similarity 0.9328 NPC25287
High Similarity 0.9328 NPC473887
High Similarity 0.9328 NPC473391
High Similarity 0.9328 NPC213603
High Similarity 0.9328 NPC98115
High Similarity 0.9328 NPC477243
High Similarity 0.9328 NPC127447
High Similarity 0.9328 NPC186838
High Similarity 0.9328 NPC231772
High Similarity 0.9328 NPC477244
High Similarity 0.9281 NPC12377
High Similarity 0.927 NPC321980
High Similarity 0.927 NPC110969
High Similarity 0.927 NPC470089
High Similarity 0.927 NPC470087
High Similarity 0.927 NPC3188
High Similarity 0.9265 NPC329203
High Similarity 0.9265 NPC265871
High Similarity 0.9265 NPC150648
High Similarity 0.9265 NPC225153
High Similarity 0.9265 NPC274784
High Similarity 0.9265 NPC469523
High Similarity 0.9265 NPC18260
High Similarity 0.9265 NPC222342
High Similarity 0.9265 NPC470211
High Similarity 0.9265 NPC20709
High Similarity 0.9265 NPC49242
High Similarity 0.9265 NPC310135
High Similarity 0.9265 NPC477956
High Similarity 0.9265 NPC78913
High Similarity 0.9259 NPC188879
High Similarity 0.9259 NPC317119
High Similarity 0.9259 NPC153979
High Similarity 0.9259 NPC472419
High Similarity 0.9259 NPC299379
High Similarity 0.9254 NPC156092
High Similarity 0.9254 NPC13575
High Similarity 0.9254 NPC131039
High Similarity 0.9242 NPC164236
High Similarity 0.9242 NPC309717
High Similarity 0.9242 NPC475008
High Similarity 0.9242 NPC186097
High Similarity 0.9242 NPC65060
High Similarity 0.9242 NPC475009
High Similarity 0.9242 NPC128348
High Similarity 0.9242 NPC113006
High Similarity 0.9242 NPC112192
High Similarity 0.9242 NPC66384
High Similarity 0.9242 NPC189106
High Similarity 0.9237 NPC247779
High Similarity 0.9231 NPC80694
High Similarity 0.9231 NPC186098
High Similarity 0.9214 NPC201731
High Similarity 0.9214 NPC188074
High Similarity 0.9214 NPC97716
High Similarity 0.9214 NPC125449
High Similarity 0.9214 NPC79469
High Similarity 0.9214 NPC237635
High Similarity 0.9214 NPC51070
High Similarity 0.9214 NPC104406
High Similarity 0.9214 NPC222298
High Similarity 0.9214 NPC24673
High Similarity 0.9209 NPC234629
High Similarity 0.9209 NPC303185
High Similarity 0.9209 NPC311741
High Similarity 0.9209 NPC184649
High Similarity 0.9203 NPC11561
High Similarity 0.9203 NPC226636
High Similarity 0.9197 NPC269652
High Similarity 0.9197 NPC241100
High Similarity 0.9197 NPC188243

Drug Structure

External Identifiers

TTD   DCL000330
DrugBank   DB01645
ChEMBL   CHEMBL44
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5280961
ChEBI   28088
CAS Number  446-72-0

Drug Properties

Molecular Weight  270.05
ALogP  -2.0476
MLogP  2.56
XLogP  1.512
HDA  1
HBD  3
Rotatable Bonds  4
TPSA  86.99
RO5 Violation  0