Natural Product: NPC266553

Natural Product ID:  NPC266553
Common Name:   1,5-Anhydrosorbitol
IUPAC Name:   (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol
Synonyms:   1,5-Anhydrosorbitol
Molecular Formula:   C6H12O5
Standard InCHIKey:  MPCAJMNYNOGXPB-SLPGGIOYSA-N
Standard InCHI:  InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
Canonical SMILES:  OC[C@H]1OC[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
NPO1797 Homo sapiens Species Hominidae Eukaryota PMID[18492944]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[22308371]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[17659063]
NPO21581 Polygala arillata Species Polygalaceae Eukaryota TCM_Taiwan*
NPO27260 Polygala tenuifolia Species Polygalaceae Eukaryota TCM_Taiwan*
NPO28210 Myrmecia gulosa Species Formicidae Eukaryota UNPD*
NPO28028 Aquilegia atrata Species Ranunculaceae Eukaryota UNPD*
NPO27846 Aeodes ulvoidea Species Halymeniaceae Eukaryota UNPD*
NPO27622 Ligularia cyathiceps Species Asteraceae Eukaryota UNPD*
NPO28154 Acrodontium salmoneum Species Mycosphaerellaceae Eukaryota UNPD*
NPO17149 Heracleum candicans Species Apiaceae Eukaryota UNPD*
NPO28261 Pyrophorus pellucens Species Elateridae Eukaryota UNPD*
NPO28081 Actinoplanes arizonaensis Species Micromonosporaceae Bacteria UNPD*
NPO27934 Mezilaurus synandra Species Lauraceae Eukaryota UNPD*
NPO20099 Petalostylis labicheoides Species Fabaceae Eukaryota UNPD*
NPO27808 Cremanthodium discoideum Species Asteraceae Eukaryota UNPD*
NPO21068 Centaurea sulphurea Species Asteraceae Eukaryota UNPD*
NPO28476 Doris tricolor Species Dorididae Eukaryota UNPD*
NPO28102 Baccharis tucumanensis Species Asteraceae Eukaryota UNPD*
NPO20441 Glaucium flavum Species Papaveraceae Eukaryota UNPD*
NPO28521 Delphinium vestitum Species Ranunculaceae Eukaryota UNPD*
NPO298 Isatdis radix NA NA NA TCMSP*
NPO19588 Piper coruscans Species Piperaceae Eukaryota UNPD*
NPO21485 Polygala sibirica Species Polygalaceae Eukaryota TM-MC*
NPO27081 Clavularia inflata Species Clavulariidae Eukaryota UNPD*
NPO27260 Polygala tenuifolia Species Polygalaceae Eukaryota TM-MC*
NPO28312 Lentinus squarrosulus Species Lentinaceae Eukaryota UNPD*
NPO4969 Sesbania bispinosa Species Fabaceae Eukaryota UNPD*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota UNPD*
NPO29361 Chondrus yendoi Species Gigartinaceae Eukaryota UNPD*
NPO3513 Fuscoporia senex Species Hymenochaetaceae Eukaryota UNPD*
NPO8672 Ophiura ophiura Species Ophiuridae Eukaryota UNPD*
NPO19599 Pogostemon parviflorus Species Lamiaceae Eukaryota UNPD*
NPO28491 Astrotrichilia voamatata Species Meliaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT5618 Individual Protein Beta-glucosidase Prunus avium Ki = 60000000 nM 10.1016/S0960-894X(01)81044-1
NPT5114 Individual Protein Beta-galactosidase Escherichia coli Ki = 71000000 nM 10.1016/S0960-894X(01)81044-1

  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 NPC266553 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
0.925 High Similarity NPC70756
0.925 High Similarity NPC320240
0.881 High Similarity NPC289758
0.881 High Similarity NPC73906
0.881 High Similarity NPC165846
0.881 High Similarity NPC199857
0.881 High Similarity NPC255377
0.881 High Similarity NPC285364
0.881 High Similarity NPC21209
0.881 High Similarity NPC69445
0.881 High Similarity NPC92246
0.881 High Similarity NPC176017
0.8649 High Similarity NPC293908
0.8649 High Similarity NPC325034
0.8649 High Similarity NPC192065
0.8649 High Similarity NPC86412
0.8649 High Similarity NPC66052
0.8605 High Similarity NPC321087
0.8605 High Similarity NPC277475
0.8409 Intermediate Similarity NPC14144
0.8333 Intermediate Similarity NPC29721
0.8222 Intermediate Similarity NPC157193
0.8222 Intermediate Similarity NPC282143
0.8222 Intermediate Similarity NPC299781
0.8222 Intermediate Similarity NPC42503
0.8182 Intermediate Similarity NPC88638
0.814 Intermediate Similarity NPC207656
0.814 Intermediate Similarity NPC107091
0.8095 Intermediate Similarity NPC86191
0.8095 Intermediate Similarity NPC298699
0.8095 Intermediate Similarity NPC291502
0.8095 Intermediate Similarity NPC213159
0.8095 Intermediate Similarity NPC317182
0.8095 Intermediate Similarity NPC134252
0.8049 Intermediate Similarity NPC227707
0.8049 Intermediate Similarity NPC99573
0.8049 Intermediate Similarity NPC102981
0.8049 Intermediate Similarity NPC111882
0.8049 Intermediate Similarity NPC88278
0.8043 Intermediate Similarity NPC323574
0.7872 Intermediate Similarity NPC326533
0.7872 Intermediate Similarity NPC23134
0.7872 Intermediate Similarity NPC233726
0.7872 Intermediate Similarity NPC124963
0.7838 Intermediate Similarity NPC197207
0.7838 Intermediate Similarity NPC127074
0.7838 Intermediate Similarity NPC182541
0.7838 Intermediate Similarity NPC187058
0.7838 Intermediate Similarity NPC149070
0.7778 Intermediate Similarity NPC230789
0.7778 Intermediate Similarity NPC252918
0.7609 Intermediate Similarity NPC112363
0.7551 Intermediate Similarity NPC317626
0.7551 Intermediate Similarity NPC314821
0.7551 Intermediate Similarity NPC58629
0.7551 Intermediate Similarity NPC165198
0.7551 Intermediate Similarity NPC242073
0.7551 Intermediate Similarity NPC107914
0.7551 Intermediate Similarity NPC317501
0.7551 Intermediate Similarity NPC269166
0.7551 Intermediate Similarity NPC89145
0.7551 Intermediate Similarity NPC323361
0.7551 Intermediate Similarity NPC246558
0.7551 Intermediate Similarity NPC157514
0.7551 Intermediate Similarity NPC67660
0.7551 Intermediate Similarity NPC130683
0.7551 Intermediate Similarity NPC145112
0.7447 Intermediate Similarity NPC82512
0.7436 Intermediate Similarity NPC227267
0.74 Intermediate Similarity NPC303727
0.7273 Intermediate Similarity NPC320189
0.7143 Intermediate Similarity NPC329095
0.7115 Intermediate Similarity NPC148424
0.7027 Intermediate Similarity NPC33415
0.7027 Intermediate Similarity NPC301586
0.7021 Intermediate Similarity NPC314613
0.7 Intermediate Similarity NPC103672
0.7 Intermediate Similarity NPC320043
0.6981 Remote Similarity NPC220922
0.6981 Remote Similarity NPC472025
0.6981 Remote Similarity NPC219040
0.6852 Remote Similarity NPC320032
0.6852 Remote Similarity NPC290179
0.6852 Remote Similarity NPC317023
0.6852 Remote Similarity NPC322855
0.6852 Remote Similarity NPC34877
0.6757 Remote Similarity NPC320326
0.6735 Remote Similarity NPC61270
0.6735 Remote Similarity NPC325822
0.6727 Remote Similarity NPC143326
0.6607 Remote Similarity NPC472026
0.6607 Remote Similarity NPC477757
0.6607 Remote Similarity NPC477755
0.6607 Remote Similarity NPC477763
0.6607 Remote Similarity NPC155457
0.6607 Remote Similarity NPC477753
0.6607 Remote Similarity NPC477750
0.6607 Remote Similarity NPC477762
0.6596 Remote Similarity NPC62014
0.6579 Remote Similarity NPC325345
0.6545 Remote Similarity NPC182903
0.6531 Remote Similarity NPC247546
0.6531 Remote Similarity NPC172086
0.6429 Remote Similarity NPC174485
0.6379 Remote Similarity NPC277570
0.6379 Remote Similarity NPC268243
0.6379 Remote Similarity NPC317651
0.6379 Remote Similarity NPC258690
0.6379 Remote Similarity NPC325773
0.6364 Remote Similarity NPC293692
0.6346 Remote Similarity NPC322803
0.6346 Remote Similarity NPC278465
0.6346 Remote Similarity NPC321102
0.6346 Remote Similarity NPC325153
0.6327 Remote Similarity NPC8597
0.6316 Remote Similarity NPC272307
0.6275 Remote Similarity NPC329128
0.6275 Remote Similarity NPC322158
0.6271 Remote Similarity NPC13143
0.6271 Remote Similarity NPC6848
0.6271 Remote Similarity NPC294813
0.6271 Remote Similarity NPC31496
0.625 Remote Similarity NPC85078
0.625 Remote Similarity NPC476209
0.6216 Remote Similarity NPC213764
0.617 Remote Similarity NPC228782
0.617 Remote Similarity NPC313565
0.617 Remote Similarity NPC259982
0.6167 Remote Similarity NPC190418
0.6167 Remote Similarity NPC471761
0.6167 Remote Similarity NPC12040
0.6167 Remote Similarity NPC471760
0.6167 Remote Similarity NPC76881
0.6167 Remote Similarity NPC147292
0.6111 Remote Similarity NPC289979
0.6087 Remote Similarity NPC152008
0.6078 Remote Similarity NPC46254
0.6071 Remote Similarity NPC322148
0.6066 Remote Similarity NPC477752
0.6066 Remote Similarity NPC477756
0.6066 Remote Similarity NPC129100
0.6066 Remote Similarity NPC477764
0.6066 Remote Similarity NPC291650
0.6066 Remote Similarity NPC477751
0.6066 Remote Similarity NPC322801
0.6053 Remote Similarity NPC128335
0.6053 Remote Similarity NPC560
0.6038 Remote Similarity NPC277878
0.6038 Remote Similarity NPC476136
0.6038 Remote Similarity NPC476149
0.6038 Remote Similarity NPC244869
0.6038 Remote Similarity NPC300235
0.6034 Remote Similarity NPC475412
0.6 Remote Similarity NPC197039
0.6 Remote Similarity NPC110884
0.5968 Remote Similarity NPC206601
0.5968 Remote Similarity NPC477761
0.5968 Remote Similarity NPC179823
0.5968 Remote Similarity NPC477754
0.5968 Remote Similarity NPC477758
0.5968 Remote Similarity NPC477760
0.5968 Remote Similarity NPC32148
0.5968 Remote Similarity NPC477759
0.5965 Remote Similarity NPC170172
0.5946 Remote Similarity NPC157340
0.5946 Remote Similarity NPC199270
0.5932 Remote Similarity NPC172622
0.5926 Remote Similarity NPC196612
0.5909 Remote Similarity NPC313405
0.5873 Remote Similarity NPC250619
0.5873 Remote Similarity NPC67099
0.5873 Remote Similarity NPC97736
0.5873 Remote Similarity NPC50228
0.5818 Remote Similarity NPC320588
0.5818 Remote Similarity NPC23155
0.5818 Remote Similarity NPC53463
0.5818 Remote Similarity NPC469937
0.5818 Remote Similarity NPC327257
0.5789 Remote Similarity NPC88887
0.5789 Remote Similarity NPC140389
0.5789 Remote Similarity NPC232554
0.5789 Remote Similarity NPC275462
0.5789 Remote Similarity NPC304786
0.5781 Remote Similarity NPC241265
0.5781 Remote Similarity NPC285003
0.5781 Remote Similarity NPC327486
0.5781 Remote Similarity NPC327753
0.5781 Remote Similarity NPC223174
0.5781 Remote Similarity NPC211428
0.575 Remote Similarity NPC238135
0.575 Remote Similarity NPC159845
0.5738 Remote Similarity NPC476702
0.5714 Remote Similarity NPC267243
0.5714 Remote Similarity NPC326557
0.5714 Remote Similarity NPC122962
0.5692 Remote Similarity NPC471879
0.5692 Remote Similarity NPC320012
0.5692 Remote Similarity NPC52268
0.5692 Remote Similarity NPC53760
0.5692 Remote Similarity NPC474078

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC266553 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
0.881 High Similarity NPD8994 Approved
0.881 High Similarity NPD8997 Approved
0.881 High Similarity NPD8993 Phase 1
0.881 High Similarity NPD8999 Phase 3
0.881 High Similarity NPD9000 Phase 3
0.881 High Similarity NPD8998 Phase 2
0.8649 High Similarity NPD9051 Approved
0.8649 High Similarity NPD9052 Approved
0.8649 High Similarity NPD9053 Approved
0.8537 High Similarity NPD8957 Approved
0.8409 Intermediate Similarity NPD8965 Approved
0.8409 Intermediate Similarity NPD8966 Approved
0.8333 Intermediate Similarity NPD9006 Approved
0.814 Intermediate Similarity NPD9219 Approved
0.814 Intermediate Similarity NPD9218 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD8958 Phase 2
0.8095 Intermediate Similarity NPD8788 Approved
0.8049 Intermediate Similarity NPD8996 Phase 3
0.8049 Intermediate Similarity NPD8995 Clinical (unspecified phase)
0.7872 Intermediate Similarity NPD905 Approved
0.7872 Intermediate Similarity NPD904 Phase 3
0.7838 Intermediate Similarity NPD8814 Phase 3
0.7609 Intermediate Similarity NPD9139 Approved
0.7551 Intermediate Similarity NPD890 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD892 Phase 3
0.7551 Intermediate Similarity NPD891 Phase 3
0.7551 Intermediate Similarity NPD9035 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD895 Approved
0.7551 Intermediate Similarity NPD887 Approved
0.7551 Intermediate Similarity NPD888 Phase 3
0.7551 Intermediate Similarity NPD9036 Phase 3
0.7551 Intermediate Similarity NPD893 Approved
0.7551 Intermediate Similarity NPD889 Approved
0.7551 Intermediate Similarity NPD894 Approved
0.7347 Intermediate Similarity NPD2269 Approved
0.7027 Intermediate Similarity NPD8549 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD9049 Discontinued
0.7 Intermediate Similarity NPD9050 Approved
0.6981 Remote Similarity NPD8959 Approved
0.6744 Remote Similarity NPD8976 Approved
0.6744 Remote Similarity NPD8977 Phase 3
0.6735 Remote Similarity NPD9061 Clinical (unspecified phase)
0.6607 Remote Similarity NPD6123 Approved
0.6579 Remote Similarity NPD8988 Clinical (unspecified phase)
0.6531 Remote Similarity NPD9004 Approved
0.6531 Remote Similarity NPD9005 Phase 3
0.6531 Remote Similarity NPD9003 Clinical (unspecified phase)
0.6481 Remote Similarity NPD2267 Suspended
0.6379 Remote Similarity NPD847 Phase 1
0.6379 Remote Similarity NPD8961 Approved
0.625 Remote Similarity NPD9110 Approved
0.6154 Remote Similarity NPD9002 Approved
0.6154 Remote Similarity NPD1399 Approved
0.6154 Remote Similarity NPD9001 Clinical (unspecified phase)
0.6154 Remote Similarity NPD1400 Approved
0.6087 Remote Similarity NPD7536 Approved
0.6071 Remote Similarity NPD369 Approved
0.6066 Remote Similarity NPD9032 Approved
0.6066 Remote Similarity NPD9031 Approved
0.6066 Remote Similarity NPD9030 Approved
0.6066 Remote Similarity NPD9033 Approved
0.6038 Remote Similarity NPD8960 Approved
0.6038 Remote Similarity NPD9008 Approved
0.6038 Remote Similarity NPD9009 Approved
0.6038 Remote Similarity NPD9010 Approved
0.6038 Remote Similarity NPD64 Approved
0.6038 Remote Similarity NPD66 Approved
0.6038 Remote Similarity NPD72 Approved
0.6038 Remote Similarity NPD9011 Approved
0.6038 Remote Similarity NPD65 Approved
0.6038 Remote Similarity NPD9007 Approved
0.6 Remote Similarity NPD371 Approved
0.5968 Remote Similarity NPD898 Approved
0.5968 Remote Similarity NPD897 Approved
0.5968 Remote Similarity NPD896 Approved
0.5946 Remote Similarity NPD8226 Approved
0.5862 Remote Similarity NPD9455 Approved
0.5818 Remote Similarity NPD3728 Approved
0.5818 Remote Similarity NPD3730 Approved
0.5818 Remote Similarity NPD7346 Approved
0.5781 Remote Similarity NPD9445 Approved
0.5769 Remote Similarity NPD8964 Approved
0.5763 Remote Similarity NPD393 Approved
0.5738 Remote Similarity NPD1457 Discontinued
0.5714 Remote Similarity NPD885 Approved
0.5714 Remote Similarity NPD884 Clinical (unspecified phase)
0.5667 Remote Similarity NPD9027 Phase 3
0.5667 Remote Similarity NPD9026 Phase 2
0.5667 Remote Similarity NPD9029 Phase 3
0.5667 Remote Similarity NPD9028 Phase 2
0.5614 Remote Similarity NPD73 Approved

Structure

External Identifiers

PubChem CID   64960
ChEMBL   CHEMBL344637
ZINC  

Physicochemical Properties

Molecular Weight:  164.07
ALogP:  -2.1737
MLogP:  1.57
XLogP:  -1.591
# Rotatable Bonds:  5
Polar Surface Area:  90.15
# H-Bond Aceptor:  5
# H-Bond Donor:  4
# Rings:  1
# Heavy Atoms:  11

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs