Drug Information

Drug ID:  NPD7829
Drug Name:  Natamycin
Molecular Formula:  C33H47NO13
Canonical SMILES:  C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@H]([C@@H]([C@@H]2O)N)O)C[C@@H]2O[C@@](C[C@H](C[C@@H]3[C@@H](/C=C/C(=O)O1)O3)O)(O)C[C@@H]([C@H]2C(=O)O)O
Standard InCHI:  InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32+,33-/m1/s1
Standard InCHIKey:  NCXMLFZGDNKEPB-FFPOYIOWSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7829

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 NPC315783
High Similarity 0.9474 NPC314268
High Similarity 0.9474 NPC67917
High Similarity 0.9474 NPC313802
High Similarity 0.9474 NPC477515
Intermediate Similarity 0.8492 NPC316401
Intermediate Similarity 0.8374 NPC318445
Intermediate Similarity 0.8374 NPC314629
Intermediate Similarity 0.8374 NPC316133
Intermediate Similarity 0.832 NPC314282
Intermediate Similarity 0.8182 NPC6531
Intermediate Similarity 0.816 NPC313333
Intermediate Similarity 0.816 NPC313342
Intermediate Similarity 0.816 NPC314512
Intermediate Similarity 0.816 NPC314451
Intermediate Similarity 0.8151 NPC1111
Intermediate Similarity 0.8151 NPC261750
Intermediate Similarity 0.8099 NPC30196
Intermediate Similarity 0.8047 NPC316205
Intermediate Similarity 0.8047 NPC315387
Intermediate Similarity 0.8 NPC60432
Intermediate Similarity 0.7863 NPC469869
Intermediate Similarity 0.7815 NPC193765
Intermediate Similarity 0.7667 NPC473807
Intermediate Similarity 0.7647 NPC476738
Intermediate Similarity 0.7647 NPC476740
Intermediate Similarity 0.7627 NPC309398
Intermediate Similarity 0.7603 NPC133625
Intermediate Similarity 0.7594 NPC314361
Intermediate Similarity 0.754 NPC13710
Intermediate Similarity 0.75 NPC473228
Intermediate Similarity 0.75 NPC475383
Intermediate Similarity 0.75 NPC156379
Intermediate Similarity 0.75 NPC470829
Intermediate Similarity 0.748 NPC241050
Intermediate Similarity 0.7479 NPC474581
Intermediate Similarity 0.7479 NPC473816
Intermediate Similarity 0.7479 NPC475367
Intermediate Similarity 0.746 NPC475642
Intermediate Similarity 0.7458 NPC471637
Intermediate Similarity 0.7458 NPC57586
Intermediate Similarity 0.7458 NPC2313
Intermediate Similarity 0.7458 NPC154132
Intermediate Similarity 0.7458 NPC316250
Intermediate Similarity 0.7458 NPC475655
Intermediate Similarity 0.7458 NPC475157
Intermediate Similarity 0.7436 NPC255592
Intermediate Similarity 0.7436 NPC161855
Intermediate Similarity 0.7436 NPC308567
Intermediate Similarity 0.7436 NPC187761
Intermediate Similarity 0.7436 NPC83895
Intermediate Similarity 0.7436 NPC261377
Intermediate Similarity 0.7414 NPC195645
Intermediate Similarity 0.7414 NPC180722
Intermediate Similarity 0.7414 NPC165332
Intermediate Similarity 0.7398 NPC477997
Intermediate Similarity 0.7373 NPC469870
Intermediate Similarity 0.7373 NPC469871
Intermediate Similarity 0.735 NPC40812
Intermediate Similarity 0.7333 NPC197736
Intermediate Similarity 0.7317 NPC313668
Intermediate Similarity 0.7317 NPC315836
Intermediate Similarity 0.7304 NPC472196
Intermediate Similarity 0.7304 NPC472195
Intermediate Similarity 0.7304 NPC238090
Intermediate Similarity 0.7281 NPC473311
Intermediate Similarity 0.7266 NPC475309
Intermediate Similarity 0.7265 NPC473291
Intermediate Similarity 0.725 NPC473596
Intermediate Similarity 0.7241 NPC159698
Intermediate Similarity 0.7241 NPC5418
Intermediate Similarity 0.7231 NPC170880
Intermediate Similarity 0.7231 NPC469812
Intermediate Similarity 0.7231 NPC183353
Intermediate Similarity 0.7217 NPC472199
Intermediate Similarity 0.7213 NPC315070
Intermediate Similarity 0.72 NPC475608
Intermediate Similarity 0.72 NPC29501
Intermediate Similarity 0.72 NPC21713
Intermediate Similarity 0.7167 NPC476611
Intermediate Similarity 0.7155 NPC320089
Intermediate Similarity 0.7155 NPC478036
Intermediate Similarity 0.7155 NPC478037
Intermediate Similarity 0.7154 NPC315531
Intermediate Similarity 0.713 NPC313670
Intermediate Similarity 0.7119 NPC255410
Intermediate Similarity 0.7107 NPC313569
Intermediate Similarity 0.7097 NPC475960
Intermediate Similarity 0.7094 NPC472198
Intermediate Similarity 0.7094 NPC71589
Intermediate Similarity 0.7083 NPC475053
Intermediate Similarity 0.7069 NPC472197
Intermediate Similarity 0.7059 NPC120299
Intermediate Similarity 0.7059 NPC476613
Intermediate Similarity 0.7059 NPC472290
Intermediate Similarity 0.7059 NPC476612
Intermediate Similarity 0.7059 NPC266842
Intermediate Similarity 0.7034 NPC300710
Intermediate Similarity 0.7023 NPC48692
Intermediate Similarity 0.7023 NPC314482
Intermediate Similarity 0.7016 NPC137453
Intermediate Similarity 0.7008 NPC469865
Intermediate Similarity 0.7 NPC203627
Intermediate Similarity 0.7 NPC475653
Remote Similarity 0.6984 NPC83005
Remote Similarity 0.6978 NPC99864
Remote Similarity 0.6975 NPC475164
Remote Similarity 0.6975 NPC475241
Remote Similarity 0.6975 NPC473605
Remote Similarity 0.6975 NPC143446
Remote Similarity 0.6975 NPC476066
Remote Similarity 0.6975 NPC475375
Remote Similarity 0.6975 NPC475525
Remote Similarity 0.6975 NPC475593
Remote Similarity 0.6975 NPC306041
Remote Similarity 0.6975 NPC473765
Remote Similarity 0.6975 NPC475540
Remote Similarity 0.697 NPC170084
Remote Similarity 0.697 NPC476204
Remote Similarity 0.6967 NPC227622
Remote Similarity 0.6966 NPC316249
Remote Similarity 0.696 NPC392
Remote Similarity 0.696 NPC177524
Remote Similarity 0.696 NPC219900
Remote Similarity 0.6949 NPC294293
Remote Similarity 0.694 NPC469494
Remote Similarity 0.6935 NPC201128
Remote Similarity 0.693 NPC208473
Remote Similarity 0.6923 NPC470373
Remote Similarity 0.6923 NPC470379
Remote Similarity 0.6923 NPC474483
Remote Similarity 0.6917 NPC278506
Remote Similarity 0.6917 NPC475332
Remote Similarity 0.6912 NPC245094
Remote Similarity 0.6906 NPC471136
Remote Similarity 0.6906 NPC475154
Remote Similarity 0.6906 NPC182266
Remote Similarity 0.6906 NPC78189
Remote Similarity 0.6906 NPC120420
Remote Similarity 0.6906 NPC223356
Remote Similarity 0.6906 NPC475500
Remote Similarity 0.6906 NPC473548
Remote Similarity 0.6906 NPC100017
Remote Similarity 0.6906 NPC471137
Remote Similarity 0.6905 NPC473578
Remote Similarity 0.6894 NPC476150
Remote Similarity 0.6894 NPC476127
Remote Similarity 0.6891 NPC170204
Remote Similarity 0.688 NPC254538
Remote Similarity 0.688 NPC474285
Remote Similarity 0.6879 NPC230889
Remote Similarity 0.687 NPC477959
Remote Similarity 0.687 NPC118077
Remote Similarity 0.687 NPC86005
Remote Similarity 0.687 NPC316138
Remote Similarity 0.687 NPC473617
Remote Similarity 0.687 NPC475186
Remote Similarity 0.687 NPC473828
Remote Similarity 0.687 NPC313658
Remote Similarity 0.6864 NPC320552
Remote Similarity 0.6864 NPC61201
Remote Similarity 0.686 NPC472015
Remote Similarity 0.6855 NPC474917
Remote Similarity 0.6855 NPC472748
Remote Similarity 0.6838 NPC298841
Remote Similarity 0.6838 NPC42399
Remote Similarity 0.6835 NPC316915
Remote Similarity 0.6833 NPC173329
Remote Similarity 0.6833 NPC288350
Remote Similarity 0.6833 NPC476315
Remote Similarity 0.6833 NPC54731
Remote Similarity 0.6833 NPC473859
Remote Similarity 0.6829 NPC13171
Remote Similarity 0.6829 NPC477198
Remote Similarity 0.6829 NPC195510
Remote Similarity 0.6829 NPC201191
Remote Similarity 0.6829 NPC222062
Remote Similarity 0.6822 NPC311592
Remote Similarity 0.6822 NPC75167
Remote Similarity 0.6815 NPC318135
Remote Similarity 0.6814 NPC156089
Remote Similarity 0.6814 NPC473500
Remote Similarity 0.6814 NPC38295
Remote Similarity 0.6814 NPC470313
Remote Similarity 0.6812 NPC477197
Remote Similarity 0.681 NPC470137
Remote Similarity 0.6809 NPC68282
Remote Similarity 0.6807 NPC256368
Remote Similarity 0.6807 NPC477345
Remote Similarity 0.6807 NPC238264
Remote Similarity 0.6807 NPC477348
Remote Similarity 0.6803 NPC288876
Remote Similarity 0.68 NPC475527
Remote Similarity 0.68 NPC265699
Remote Similarity 0.68 NPC472751
Remote Similarity 0.68 NPC472749
Remote Similarity 0.6794 NPC316325
Remote Similarity 0.6794 NPC23046
Remote Similarity 0.6788 NPC473620
Remote Similarity 0.6788 NPC477793

Drug Structure

External Identifiers

TTD   DAP001331
DrugBank   DB00826
ChEMBL   CHEMBL1200656
IUPHAR/BPS  
PharmaGKB   PA164744325
KEGG Drug   D00884
PubChem CID  
ChEBI  
CAS Number  7681-93-8

Drug Properties

Molecular Weight  665.30
ALogP  -3.1071
MLogP  3.55
XLogP  1.082
HDA  14
HBD  7
Rotatable Bonds  12
TPSA  230.99
RO5 Violation  2