Natural Product: NPC92246

Natural Product ID:  NPC92246
Common Name:   Alpha-D-Glucose
IUPAC Name:   (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Synonyms:   Alpha-D-Glucopyranose; Alpha-D-Glucose
Molecular Formula:   C6H12O6
Standard InCHIKey:  WQZGKKKJIJFFOK-DVKNGEFBSA-N
Standard InCHI:  InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO8424 Juniperus foetidissima Species Cupressaceae Eukaryota UNPD*
NPO4982 Notholirion bulbuliferum Species Liliaceae Eukaryota UNPD*
NPO298 Isatdis radix NA NA NA TCMSP*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[18052033]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[12097436]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO10608 Exodermis poria NA NA NA TCMID*
NPO8413 Echinus auritus Species Echinidae Eukaryota UNPD*
NPO23815 Isolona campanulata Species Annonaceae Eukaryota UNPD*
NPO11409 Trichothecium sympodiale Species NA Eukaryota UNPD*
NPO13209 Strychnos tomentosa Species Loganiaceae Eukaryota UNPD*
NPO24555 Coleogyne ramosissima Species Rosaceae Eukaryota UNPD*
NPO23907 Grazielia serrata Species Asteraceae Eukaryota UNPD*
NPO7657 Plectranthus ornatus Species Lamiaceae Eukaryota UNPD*
NPO5743 Salvia miltiorrhiza Species Lamiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 34 Bq 16640344
NPT2681 Individual Protein Glycogen phosphorylase, muscle form Oryctolagus cuniculus Ki = 1700000 nM 19781947
NPT2681 Individual Protein Glycogen phosphorylase, muscle form Oryctolagus cuniculus Ki = 1700000 nM 20430629
NPT2681 Individual Protein Glycogen phosphorylase, muscle form Oryctolagus cuniculus Ki = 1700000 nM 21821421
NPT2681 Individual Protein Glycogen phosphorylase, muscle form Oryctolagus cuniculus Ki = 1700000 nM 22770609
NPT2 Others Unspecified Ki = 1700000 nM 10.1007/s00044-013-0812-0
NPT3783 Individual Protein Muscle glycogen phosphorylase Homo sapiens Ki = 1700000 nM 25092521
NPT1667 Individual Protein Liver glycogen phosphorylase Homo sapiens Ki = 4900000 nM 25092521
NPT2 Others Unspecified Ki = 1700000 nM 10.1039/C4MD00335G

  Similar Natural Products in NPASS

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

●  The left chart: Distribution of similarity level between NPC92246 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC255377
1.0 High Similarity NPC69445
1.0 High Similarity NPC21209
1.0 High Similarity NPC176017
1.0 High Similarity NPC289758
1.0 High Similarity NPC73906
1.0 High Similarity NPC199857
1.0 High Similarity NPC285364
1.0 High Similarity NPC165846
0.9767 High Similarity NPC321087
0.9767 High Similarity NPC277475
0.9545 High Similarity NPC14144
0.9524 High Similarity NPC70756
0.9524 High Similarity NPC320240
0.9333 High Similarity NPC42503
0.9333 High Similarity NPC157193
0.9333 High Similarity NPC282143
0.9333 High Similarity NPC299781
0.9286 High Similarity NPC317182
0.9286 High Similarity NPC213159
0.9286 High Similarity NPC291502
0.9286 High Similarity NPC134252
0.9286 High Similarity NPC298699
0.9286 High Similarity NPC86191
0.913 High Similarity NPC323574
0.8936 High Similarity NPC23134
0.8936 High Similarity NPC326533
0.8936 High Similarity NPC124963
0.8936 High Similarity NPC233726
0.881 High Similarity NPC266553
0.8636 High Similarity NPC29721
0.8571 High Similarity NPC89145
0.8571 High Similarity NPC67660
0.8571 High Similarity NPC242073
0.8571 High Similarity NPC314821
0.8571 High Similarity NPC130683
0.8571 High Similarity NPC323361
0.8571 High Similarity NPC246558
0.8571 High Similarity NPC165198
0.8571 High Similarity NPC145112
0.8571 High Similarity NPC107914
0.8571 High Similarity NPC157514
0.8571 High Similarity NPC58629
0.8571 High Similarity NPC317501
0.8571 High Similarity NPC317626
0.8571 High Similarity NPC269166
0.8409 Intermediate Similarity NPC320189
0.84 Intermediate Similarity NPC303727
0.8085 Intermediate Similarity NPC252918
0.8085 Intermediate Similarity NPC230789
0.8077 Intermediate Similarity NPC148424
0.7925 Intermediate Similarity NPC472025
0.7925 Intermediate Similarity NPC219040
0.7778 Intermediate Similarity NPC320032
0.7778 Intermediate Similarity NPC290179
0.7778 Intermediate Similarity NPC322855
0.7778 Intermediate Similarity NPC34877
0.7778 Intermediate Similarity NPC317023
0.7755 Intermediate Similarity NPC82512
0.7636 Intermediate Similarity NPC143326
0.7619 Intermediate Similarity NPC86412
0.7619 Intermediate Similarity NPC293908
0.7619 Intermediate Similarity NPC192065
0.7619 Intermediate Similarity NPC325034
0.7619 Intermediate Similarity NPC66052
0.75 Intermediate Similarity NPC477763
0.75 Intermediate Similarity NPC472026
0.75 Intermediate Similarity NPC477750
0.75 Intermediate Similarity NPC477762
0.75 Intermediate Similarity NPC477753
0.75 Intermediate Similarity NPC477755
0.75 Intermediate Similarity NPC155457
0.75 Intermediate Similarity NPC477757
0.7451 Intermediate Similarity NPC329095
0.7347 Intermediate Similarity NPC88638
0.7308 Intermediate Similarity NPC103672
0.7308 Intermediate Similarity NPC320043
0.7292 Intermediate Similarity NPC207656
0.7292 Intermediate Similarity NPC107091
0.7255 Intermediate Similarity NPC329128
0.7255 Intermediate Similarity NPC322158
0.7241 Intermediate Similarity NPC277570
0.7241 Intermediate Similarity NPC258690
0.7241 Intermediate Similarity NPC268243
0.7241 Intermediate Similarity NPC317651
0.7241 Intermediate Similarity NPC325773
0.7174 Intermediate Similarity NPC99573
0.7174 Intermediate Similarity NPC227707
0.7174 Intermediate Similarity NPC88278
0.7174 Intermediate Similarity NPC102981
0.7174 Intermediate Similarity NPC111882
0.7119 Intermediate Similarity NPC13143
0.7119 Intermediate Similarity NPC6848
0.7119 Intermediate Similarity NPC31496
0.7119 Intermediate Similarity NPC294813
0.7 Intermediate Similarity NPC147292
0.7 Intermediate Similarity NPC76881
0.7 Intermediate Similarity NPC12040
0.7 Intermediate Similarity NPC471760
0.7 Intermediate Similarity NPC471761
0.7 Intermediate Similarity NPC190418
0.6905 Remote Similarity NPC149070
0.6905 Remote Similarity NPC197207
0.6905 Remote Similarity NPC127074
0.6905 Remote Similarity NPC187058
0.6905 Remote Similarity NPC182541
0.6885 Remote Similarity NPC129100
0.6885 Remote Similarity NPC291650
0.6885 Remote Similarity NPC477752
0.6885 Remote Similarity NPC322801
0.6885 Remote Similarity NPC477751
0.6885 Remote Similarity NPC477756
0.6885 Remote Similarity NPC477764
0.6863 Remote Similarity NPC112363
0.6774 Remote Similarity NPC477761
0.6774 Remote Similarity NPC477754
0.6774 Remote Similarity NPC206601
0.6774 Remote Similarity NPC477758
0.6774 Remote Similarity NPC32148
0.6774 Remote Similarity NPC477759
0.6774 Remote Similarity NPC477760
0.6667 Remote Similarity NPC67099
0.6667 Remote Similarity NPC50228
0.6667 Remote Similarity NPC97736
0.6667 Remote Similarity NPC250619
0.6667 Remote Similarity NPC220922
0.6591 Remote Similarity NPC227267
0.6562 Remote Similarity NPC223174
0.6562 Remote Similarity NPC241265
0.6562 Remote Similarity NPC327753
0.6562 Remote Similarity NPC211428
0.6562 Remote Similarity NPC327486
0.6562 Remote Similarity NPC285003
0.6462 Remote Similarity NPC474078
0.6462 Remote Similarity NPC53760
0.6462 Remote Similarity NPC471879
0.6462 Remote Similarity NPC52268
0.6364 Remote Similarity NPC185419
0.6364 Remote Similarity NPC184550
0.6346 Remote Similarity NPC314613
0.6304 Remote Similarity NPC313405
0.6269 Remote Similarity NPC308096
0.6269 Remote Similarity NPC225748
0.6269 Remote Similarity NPC248427
0.6269 Remote Similarity NPC132938
0.6269 Remote Similarity NPC9763
0.6269 Remote Similarity NPC291228
0.6269 Remote Similarity NPC163812
0.6269 Remote Similarity NPC169085
0.6269 Remote Similarity NPC39266
0.6269 Remote Similarity NPC206823
0.625 Remote Similarity NPC179823
0.619 Remote Similarity NPC33415
0.619 Remote Similarity NPC301586
0.6176 Remote Similarity NPC308489
0.6176 Remote Similarity NPC166250
0.6176 Remote Similarity NPC472173
0.6176 Remote Similarity NPC472174
0.6111 Remote Similarity NPC325822
0.6111 Remote Similarity NPC61270
0.6102 Remote Similarity NPC293692
0.6034 Remote Similarity NPC326557
0.6029 Remote Similarity NPC470659
0.6029 Remote Similarity NPC470660
0.6029 Remote Similarity NPC55652
0.6 Remote Similarity NPC326661
0.6 Remote Similarity NPC279575
0.6 Remote Similarity NPC229655
0.6 Remote Similarity NPC477350
0.6 Remote Similarity NPC182903
0.5962 Remote Similarity NPC62014
0.5952 Remote Similarity NPC320326
0.5926 Remote Similarity NPC247546
0.5926 Remote Similarity NPC172086
0.5915 Remote Similarity NPC216883
0.5915 Remote Similarity NPC110813
0.5915 Remote Similarity NPC188793
0.5915 Remote Similarity NPC476782
0.5915 Remote Similarity NPC314772
0.5915 Remote Similarity NPC314968
0.5915 Remote Similarity NPC476783
0.5915 Remote Similarity NPC476781
0.5902 Remote Similarity NPC174485
0.5862 Remote Similarity NPC289979
0.5833 Remote Similarity NPC477330
0.5833 Remote Similarity NPC133377
0.5833 Remote Similarity NPC477329
0.5833 Remote Similarity NPC281563
0.5833 Remote Similarity NPC477328
0.5833 Remote Similarity NPC475425
0.5833 Remote Similarity NPC98750
0.5833 Remote Similarity NPC109887
0.5833 Remote Similarity NPC477325
0.5833 Remote Similarity NPC146380
0.5833 Remote Similarity NPC477323
0.5833 Remote Similarity NPC177343
0.5833 Remote Similarity NPC150557
0.5833 Remote Similarity NPC477320
0.5833 Remote Similarity NPC272841
0.5833 Remote Similarity NPC477326

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC92246 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
1.0 High Similarity NPD8993 Phase 1
1.0 High Similarity NPD8998 Phase 2
1.0 High Similarity NPD8997 Approved
1.0 High Similarity NPD9000 Phase 3
1.0 High Similarity NPD8999 Phase 3
0.9545 High Similarity NPD8965 Approved
0.9545 High Similarity NPD8966 Approved
0.9286 High Similarity NPD8788 Approved
0.8936 High Similarity NPD905 Approved
0.8936 High Similarity NPD904 Phase 3
0.8636 High Similarity NPD9006 Approved
0.8571 High Similarity NPD9036 Phase 3
0.8571 High Similarity NPD889 Approved
0.8571 High Similarity NPD893 Approved
0.8571 High Similarity NPD892 Phase 3
0.8571 High Similarity NPD887 Approved
0.8571 High Similarity NPD891 Phase 3
0.8571 High Similarity NPD9035 Clinical (unspecified phase)
0.8571 High Similarity NPD888 Phase 3
0.8571 High Similarity NPD890 Clinical (unspecified phase)
0.8571 High Similarity NPD895 Approved
0.8571 High Similarity NPD894 Approved
0.8367 Intermediate Similarity NPD2269 Approved
0.7872 Intermediate Similarity NPD8994 Approved
0.7619 Intermediate Similarity NPD9053 Approved
0.7619 Intermediate Similarity NPD9052 Approved
0.7619 Intermediate Similarity NPD9051 Approved
0.7609 Intermediate Similarity NPD8957 Approved
0.75 Intermediate Similarity NPD6123 Approved
0.7407 Intermediate Similarity NPD2267 Suspended
0.7308 Intermediate Similarity NPD9049 Discontinued
0.7308 Intermediate Similarity NPD9050 Approved
0.7292 Intermediate Similarity NPD9218 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD9219 Approved
0.7241 Intermediate Similarity NPD847 Phase 1
0.7241 Intermediate Similarity NPD8961 Approved
0.7234 Intermediate Similarity NPD8958 Phase 2
0.7174 Intermediate Similarity NPD8996 Phase 3
0.7174 Intermediate Similarity NPD8995 Clinical (unspecified phase)
0.6964 Remote Similarity NPD369 Approved
0.6905 Remote Similarity NPD8814 Phase 3
0.6885 Remote Similarity NPD9031 Approved
0.6885 Remote Similarity NPD9033 Approved
0.6885 Remote Similarity NPD9032 Approved
0.6885 Remote Similarity NPD9030 Approved
0.6863 Remote Similarity NPD9139 Approved
0.6774 Remote Similarity NPD897 Approved
0.6774 Remote Similarity NPD898 Approved
0.6774 Remote Similarity NPD896 Approved
0.6727 Remote Similarity NPD7346 Approved
0.6667 Remote Similarity NPD8959 Approved
0.6562 Remote Similarity NPD9445 Approved
0.6557 Remote Similarity NPD1457 Discontinued
0.6327 Remote Similarity NPD8967 Approved
0.6269 Remote Similarity NPD67 Phase 2
0.6269 Remote Similarity NPD389 Phase 3
0.6269 Remote Similarity NPD9034 Approved
0.6269 Remote Similarity NPD3181 Approved
0.619 Remote Similarity NPD8549 Clinical (unspecified phase)
0.6111 Remote Similarity NPD9061 Clinical (unspecified phase)
0.6042 Remote Similarity NPD8976 Approved
0.6042 Remote Similarity NPD8977 Phase 3
0.6034 Remote Similarity NPD884 Clinical (unspecified phase)
0.6034 Remote Similarity NPD885 Approved
0.6 Remote Similarity NPD372 Clinical (unspecified phase)
0.5926 Remote Similarity NPD9005 Phase 3
0.5926 Remote Similarity NPD9004 Approved
0.5926 Remote Similarity NPD9003 Clinical (unspecified phase)
0.5915 Remote Similarity NPD9434 Approved
0.5915 Remote Similarity NPD9435 Approved
0.5893 Remote Similarity NPD1399 Approved
0.5893 Remote Similarity NPD1400 Approved
0.5814 Remote Similarity NPD8988 Clinical (unspecified phase)
0.5789 Remote Similarity NPD66 Approved
0.5789 Remote Similarity NPD9008 Approved
0.5789 Remote Similarity NPD9007 Approved
0.5789 Remote Similarity NPD65 Approved
0.5789 Remote Similarity NPD64 Approved
0.5789 Remote Similarity NPD72 Approved
0.5789 Remote Similarity NPD9009 Approved
0.5789 Remote Similarity NPD8960 Approved
0.5789 Remote Similarity NPD9011 Approved
0.5789 Remote Similarity NPD9010 Approved
0.5753 Remote Similarity NPD7329 Approved
0.5735 Remote Similarity NPD7532 Clinical (unspecified phase)
0.566 Remote Similarity NPD9110 Approved
0.5614 Remote Similarity NPD9002 Approved
0.5614 Remote Similarity NPD9001 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   79025
ChEMBL   CHEMBL423707
ZINC  

Physicochemical Properties

Molecular Weight:  180.06
ALogP:  -2.5134
MLogP:  1.46
XLogP:  -1.697
# Rotatable Bonds:  6
Polar Surface Area:  110.38
# H-Bond Aceptor:  6
# H-Bond Donor:  5
# Rings:  1
# Heavy Atoms:  12

Download Data

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