Drug Information

Drug ID:  NPD9119
Drug Name:  Ascorbate
Molecular Formula:  C6H8O6
Canonical SMILES:  OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O
Standard InCHI:  InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
Standard InCHIKey:  CIWBSHSKHKDKBQ-JLAZNSOCSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9119

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 NPC187770
High Similarity 0.9815 NPC319423
Intermediate Similarity 0.807 NPC327103
Intermediate Similarity 0.7969 NPC276299
Intermediate Similarity 0.7812 NPC470123
Intermediate Similarity 0.7397 NPC179933
Intermediate Similarity 0.7377 NPC230296
Intermediate Similarity 0.7273 NPC19769
Intermediate Similarity 0.7231 NPC475073
Intermediate Similarity 0.7031 NPC302564
Intermediate Similarity 0.7015 NPC282760
Remote Similarity 0.6957 NPC63873
Remote Similarity 0.6949 NPC107703
Remote Similarity 0.6912 NPC475675
Remote Similarity 0.6912 NPC201356
Remote Similarity 0.6912 NPC475555
Remote Similarity 0.6866 NPC470808
Remote Similarity 0.6849 NPC478196
Remote Similarity 0.6849 NPC478192
Remote Similarity 0.6849 NPC478191
Remote Similarity 0.6849 NPC478193
Remote Similarity 0.6849 NPC478194
Remote Similarity 0.6849 NPC478195
Remote Similarity 0.6812 NPC122627
Remote Similarity 0.68 NPC318481
Remote Similarity 0.6769 NPC97570
Remote Similarity 0.6765 NPC273600
Remote Similarity 0.6765 NPC96414
Remote Similarity 0.6765 NPC476589
Remote Similarity 0.6761 NPC202011
Remote Similarity 0.6712 NPC326504
Remote Similarity 0.6712 NPC473489
Remote Similarity 0.6667 NPC37382
Remote Similarity 0.6623 NPC47653
Remote Similarity 0.6622 NPC473582
Remote Similarity 0.6622 NPC161038
Remote Similarity 0.662 NPC475982
Remote Similarity 0.6567 NPC26810
Remote Similarity 0.6533 NPC470705
Remote Similarity 0.6508 NPC135537
Remote Similarity 0.6494 NPC99651
Remote Similarity 0.6486 NPC107654
Remote Similarity 0.6479 NPC238223
Remote Similarity 0.6471 NPC473737
Remote Similarity 0.6447 NPC275530
Remote Similarity 0.6447 NPC474026
Remote Similarity 0.6429 NPC478101
Remote Similarity 0.6429 NPC146811
Remote Similarity 0.6418 NPC98519
Remote Similarity 0.6389 NPC130618
Remote Similarity 0.6379 NPC75134
Remote Similarity 0.6377 NPC25747
Remote Similarity 0.6377 NPC148233
Remote Similarity 0.6377 NPC471611
Remote Similarity 0.6364 NPC248775
Remote Similarity 0.6349 NPC116366
Remote Similarity 0.6349 NPC477780
Remote Similarity 0.6349 NPC477781
Remote Similarity 0.6338 NPC478100
Remote Similarity 0.6338 NPC132286
Remote Similarity 0.6316 NPC127118
Remote Similarity 0.6316 NPC209113
Remote Similarity 0.6316 NPC301207
Remote Similarity 0.6286 NPC478098
Remote Similarity 0.6286 NPC478099
Remote Similarity 0.6282 NPC470149
Remote Similarity 0.6282 NPC1180
Remote Similarity 0.6282 NPC180725
Remote Similarity 0.6282 NPC470148
Remote Similarity 0.6267 NPC114727
Remote Similarity 0.6267 NPC315843
Remote Similarity 0.6267 NPC474280
Remote Similarity 0.6267 NPC476590
Remote Similarity 0.625 NPC475046
Remote Similarity 0.625 NPC11383
Remote Similarity 0.625 NPC474959
Remote Similarity 0.625 NPC310450
Remote Similarity 0.625 NPC474823
Remote Similarity 0.6234 NPC51809
Remote Similarity 0.6234 NPC176329
Remote Similarity 0.6234 NPC474818
Remote Similarity 0.6234 NPC125365
Remote Similarity 0.6234 NPC49302
Remote Similarity 0.6234 NPC475711
Remote Similarity 0.6216 NPC178575
Remote Similarity 0.6203 NPC133226
Remote Similarity 0.6203 NPC470147
Remote Similarity 0.6197 NPC124586
Remote Similarity 0.6197 NPC470033
Remote Similarity 0.6184 NPC473948
Remote Similarity 0.6176 NPC130953
Remote Similarity 0.6176 NPC26223
Remote Similarity 0.6173 NPC286770
Remote Similarity 0.6173 NPC229799
Remote Similarity 0.6173 NPC284472
Remote Similarity 0.6164 NPC475004
Remote Similarity 0.6154 NPC28049
Remote Similarity 0.6154 NPC279214
Remote Similarity 0.6154 NPC473471
Remote Similarity 0.6154 NPC221095
Remote Similarity 0.6143 NPC308457
Remote Similarity 0.6133 NPC284006
Remote Similarity 0.6129 NPC275316
Remote Similarity 0.6125 NPC297440
Remote Similarity 0.6111 NPC25298
Remote Similarity 0.6111 NPC478097
Remote Similarity 0.6104 NPC203277
Remote Similarity 0.6098 NPC163093
Remote Similarity 0.6087 NPC15193
Remote Similarity 0.6087 NPC55376
Remote Similarity 0.6081 NPC476012
Remote Similarity 0.6081 NPC476037
Remote Similarity 0.6071 NPC45409
Remote Similarity 0.6071 NPC178215
Remote Similarity 0.6056 NPC476586
Remote Similarity 0.6049 NPC251026
Remote Similarity 0.6029 NPC286189
Remote Similarity 0.6027 NPC310210
Remote Similarity 0.6027 NPC287705
Remote Similarity 0.6027 NPC475760
Remote Similarity 0.6026 NPC474278
Remote Similarity 0.6024 NPC120398
Remote Similarity 0.6024 NPC1083
Remote Similarity 0.6024 NPC132496
Remote Similarity 0.6024 NPC107986
Remote Similarity 0.6024 NPC283085
Remote Similarity 0.6024 NPC223871
Remote Similarity 0.6024 NPC182383
Remote Similarity 0.6024 NPC231009
Remote Similarity 0.6024 NPC82795
Remote Similarity 0.6024 NPC471567
Remote Similarity 0.6024 NPC286338
Remote Similarity 0.6024 NPC477014
Remote Similarity 0.6024 NPC473651
Remote Similarity 0.6024 NPC473669
Remote Similarity 0.6024 NPC477013
Remote Similarity 0.6024 NPC473478
Remote Similarity 0.6024 NPC103284
Remote Similarity 0.6024 NPC110710
Remote Similarity 0.6024 NPC66346
Remote Similarity 0.6 NPC293114
Remote Similarity 0.6 NPC40376
Remote Similarity 0.6 NPC474774
Remote Similarity 0.6 NPC280621
Remote Similarity 0.6 NPC474723
Remote Similarity 0.6 NPC21208
Remote Similarity 0.6 NPC48338
Remote Similarity 0.6 NPC316185
Remote Similarity 0.6 NPC233551
Remote Similarity 0.6 NPC474729
Remote Similarity 0.6 NPC68110
Remote Similarity 0.6 NPC121374
Remote Similarity 0.6 NPC20339
Remote Similarity 0.5977 NPC327760
Remote Similarity 0.5976 NPC315559
Remote Similarity 0.5976 NPC142111
Remote Similarity 0.5976 NPC473315
Remote Similarity 0.5972 NPC248125
Remote Similarity 0.597 NPC135863
Remote Similarity 0.5952 NPC103523
Remote Similarity 0.5952 NPC240695
Remote Similarity 0.5952 NPC210218
Remote Similarity 0.5952 NPC107717
Remote Similarity 0.5952 NPC473687
Remote Similarity 0.5952 NPC204686
Remote Similarity 0.5952 NPC231096
Remote Similarity 0.5952 NPC62118
Remote Similarity 0.5952 NPC477015
Remote Similarity 0.5952 NPC114694
Remote Similarity 0.5952 NPC232555
Remote Similarity 0.5952 NPC134885
Remote Similarity 0.5952 NPC112685
Remote Similarity 0.5952 NPC308412
Remote Similarity 0.5952 NPC134865
Remote Similarity 0.5952 NPC134807
Remote Similarity 0.5952 NPC475581
Remote Similarity 0.5952 NPC142117
Remote Similarity 0.5952 NPC279267
Remote Similarity 0.5952 NPC219498
Remote Similarity 0.5952 NPC47937
Remote Similarity 0.5952 NPC69082
Remote Similarity 0.5952 NPC171174
Remote Similarity 0.5949 NPC209135
Remote Similarity 0.5949 NPC477314
Remote Similarity 0.5949 NPC474816
Remote Similarity 0.5949 NPC279532
Remote Similarity 0.5942 NPC81896
Remote Similarity 0.5942 NPC321919
Remote Similarity 0.5926 NPC150502
Remote Similarity 0.5926 NPC469469
Remote Similarity 0.5921 NPC329890
Remote Similarity 0.5921 NPC144419
Remote Similarity 0.5921 NPC327383
Remote Similarity 0.5921 NPC185186
Remote Similarity 0.5921 NPC329914
Remote Similarity 0.5915 NPC475618
Remote Similarity 0.5915 NPC114464
Remote Similarity 0.5915 NPC475221
Remote Similarity 0.5915 NPC90463
Remote Similarity 0.5904 NPC30915

Drug Structure

External Identifiers

TTD   DNC000259; DAP000966
DrugBank   DB00126
ChEMBL   CHEMBL196
IUPHAR/BPS  
PharmaGKB   PA451898
KEGG Drug   D00018
PubChem CID   54670067
ChEBI   29073
CAS Number  50-81-7

Drug Properties

Molecular Weight  176.03
ALogP  -1.7593
MLogP  1.46
XLogP  -0.178
HDA  6
HBD  4
Rotatable Bonds  6
TPSA  107.22
RO5 Violation  0