Natural Product: NPC42503

Natural Product ID:  NPC42503
Common Name:   (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-Methoxyoxane-3,4,5-Triol
IUPAC Name:   (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
Synonyms:  
Molecular Formula:   C7H14O6
Standard InCHIKey:  HOVAGTYPODGVJG-ZFYZTMLRSA-N
Standard InCHI:  InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1
Canonical SMILES:  CO[C@H]1O[C@H](CO)[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
NPO21387 Forsythia suspensa Species Oleaceae Eukaryota TM-MC*
NPO19805 Forsythia viridissima Species Oleaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 924000 nM 10.1016/0960-894X(96)00312-5
NPT2 Others Unspecified IC50 = 3850000 nM 10.1016/0960-894X(96)00312-5
NPT2824 Individual Protein Brain glycogen phosphorylase Homo sapiens Ki = 79432823472 nM 12213058
NPT2 Others Unspecified IC50 > 500000000 nM 17905738
NPT2 Others Unspecified Activity < 0.025 17905738
NPT2 Others Unspecified Potency 12.1 nM PubChem BioAssay data set
NPT165 Cell Line HeLa Homo sapiens IC50 > 200000 nM 24631733
NPT2 Others Unspecified IC50 > 200000 nM 24631733
NPT2 Others Unspecified Potency 60883.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 53818.5 nM PubChem BioAssay data set

  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 NPC42503 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 NPC157193
1.0 High Similarity NPC282143
1.0 High Similarity NPC299781
0.9778 High Similarity NPC14144
0.9574 High Similarity NPC233726
0.9574 High Similarity NPC23134
0.9574 High Similarity NPC124963
0.9556 High Similarity NPC321087
0.9556 High Similarity NPC277475
0.9362 High Similarity NPC323574
0.9333 High Similarity NPC255377
0.9333 High Similarity NPC289758
0.9333 High Similarity NPC285364
0.9333 High Similarity NPC92246
0.9333 High Similarity NPC73906
0.9333 High Similarity NPC69445
0.9333 High Similarity NPC21209
0.9333 High Similarity NPC199857
0.9333 High Similarity NPC165846
0.9333 High Similarity NPC176017
0.9167 High Similarity NPC326533
0.9 High Similarity NPC303727
0.8889 High Similarity NPC70756
0.8889 High Similarity NPC320240
0.88 High Similarity NPC242073
0.88 High Similarity NPC246558
0.88 High Similarity NPC269166
0.88 High Similarity NPC107914
0.88 High Similarity NPC165198
0.88 High Similarity NPC323361
0.88 High Similarity NPC67660
0.88 High Similarity NPC89145
0.88 High Similarity NPC130683
0.88 High Similarity NPC157514
0.88 High Similarity NPC58629
0.88 High Similarity NPC145112
0.8723 High Similarity NPC230789
0.8723 High Similarity NPC252918
0.8667 High Similarity NPC86191
0.8667 High Similarity NPC134252
0.8667 High Similarity NPC317182
0.8667 High Similarity NPC298699
0.8667 High Similarity NPC291502
0.8667 High Similarity NPC213159
0.8654 High Similarity NPC148424
0.8491 Intermediate Similarity NPC472025
0.8491 Intermediate Similarity NPC219040
0.8367 Intermediate Similarity NPC82512
0.8333 Intermediate Similarity NPC320032
0.8333 Intermediate Similarity NPC322855
0.8222 Intermediate Similarity NPC266553
0.8182 Intermediate Similarity NPC143326
0.8085 Intermediate Similarity NPC29721
0.8077 Intermediate Similarity NPC314821
0.8077 Intermediate Similarity NPC317626
0.8077 Intermediate Similarity NPC317501
0.8036 Intermediate Similarity NPC477762
0.8036 Intermediate Similarity NPC472026
0.8036 Intermediate Similarity NPC477755
0.8036 Intermediate Similarity NPC477750
0.8036 Intermediate Similarity NPC155457
0.8036 Intermediate Similarity NPC477757
0.8036 Intermediate Similarity NPC477763
0.8036 Intermediate Similarity NPC477753
0.8 Intermediate Similarity NPC34877
0.8 Intermediate Similarity NPC317023
0.8 Intermediate Similarity NPC290179
0.7872 Intermediate Similarity NPC320189
0.7759 Intermediate Similarity NPC277570
0.7759 Intermediate Similarity NPC325773
0.7627 Intermediate Similarity NPC294813
0.7627 Intermediate Similarity NPC13143
0.7627 Intermediate Similarity NPC31496
0.7551 Intermediate Similarity NPC207656
0.7551 Intermediate Similarity NPC107091
0.75 Intermediate Similarity NPC147292
0.75 Intermediate Similarity NPC471761
0.75 Intermediate Similarity NPC76881
0.75 Intermediate Similarity NPC471760
0.75 Intermediate Similarity NPC12040
0.75 Intermediate Similarity NPC190418
0.7458 Intermediate Similarity NPC268243
0.7377 Intermediate Similarity NPC477751
0.7377 Intermediate Similarity NPC477756
0.7377 Intermediate Similarity NPC477764
0.7377 Intermediate Similarity NPC477752
0.7333 Intermediate Similarity NPC6848
0.7258 Intermediate Similarity NPC477759
0.7258 Intermediate Similarity NPC477760
0.7258 Intermediate Similarity NPC477758
0.7258 Intermediate Similarity NPC477754
0.7258 Intermediate Similarity NPC477761
0.7258 Intermediate Similarity NPC206601
0.7255 Intermediate Similarity NPC88638
0.7143 Intermediate Similarity NPC250619
0.7143 Intermediate Similarity NPC97736
0.7143 Intermediate Similarity NPC50228
0.7143 Intermediate Similarity NPC67099
0.7111 Intermediate Similarity NPC86412
0.7111 Intermediate Similarity NPC192065
0.7111 Intermediate Similarity NPC293908
0.7111 Intermediate Similarity NPC325034
0.7111 Intermediate Similarity NPC66052
0.7037 Intermediate Similarity NPC329095
0.7031 Intermediate Similarity NPC285003
0.7031 Intermediate Similarity NPC211428
0.7031 Intermediate Similarity NPC241265
0.6984 Remote Similarity NPC32148
0.6923 Remote Similarity NPC53760
0.6923 Remote Similarity NPC474078
0.6923 Remote Similarity NPC52268
0.6909 Remote Similarity NPC320043
0.6909 Remote Similarity NPC103672
0.6885 Remote Similarity NPC317651
0.6885 Remote Similarity NPC258690
0.6852 Remote Similarity NPC322158
0.6852 Remote Similarity NPC329128
0.6818 Remote Similarity NPC185419
0.6818 Remote Similarity NPC184550
0.6735 Remote Similarity NPC111882
0.6735 Remote Similarity NPC88278
0.6735 Remote Similarity NPC227707
0.6735 Remote Similarity NPC102981
0.6735 Remote Similarity NPC99573
0.6716 Remote Similarity NPC163812
0.6716 Remote Similarity NPC225748
0.6716 Remote Similarity NPC308096
0.6716 Remote Similarity NPC291228
0.6716 Remote Similarity NPC169085
0.6716 Remote Similarity NPC39266
0.6716 Remote Similarity NPC9763
0.6716 Remote Similarity NPC206823
0.6667 Remote Similarity NPC471879
0.6618 Remote Similarity NPC308489
0.6618 Remote Similarity NPC472174
0.6618 Remote Similarity NPC166250
0.6618 Remote Similarity NPC472173
0.6596 Remote Similarity NPC313405
0.6562 Remote Similarity NPC129100
0.6562 Remote Similarity NPC291650
0.6562 Remote Similarity NPC322801
0.6552 Remote Similarity NPC326557
0.6515 Remote Similarity NPC327486
0.6515 Remote Similarity NPC223174
0.6515 Remote Similarity NPC327753
0.6481 Remote Similarity NPC112363
0.6471 Remote Similarity NPC470660
0.6471 Remote Similarity NPC470659
0.6471 Remote Similarity NPC55652
0.6471 Remote Similarity NPC248427
0.6471 Remote Similarity NPC132938
0.6462 Remote Similarity NPC179823
0.6444 Remote Similarity NPC197207
0.6444 Remote Similarity NPC149070
0.6444 Remote Similarity NPC127074
0.6444 Remote Similarity NPC187058
0.6444 Remote Similarity NPC182541
0.6429 Remote Similarity NPC279575
0.6429 Remote Similarity NPC477350
0.6429 Remote Similarity NPC326661
0.6429 Remote Similarity NPC229655
0.6338 Remote Similarity NPC110813
0.6338 Remote Similarity NPC188793
0.6338 Remote Similarity NPC476782
0.6338 Remote Similarity NPC476783
0.6338 Remote Similarity NPC216883
0.6338 Remote Similarity NPC476781
0.6333 Remote Similarity NPC220922
0.625 Remote Similarity NPC477323
0.625 Remote Similarity NPC281563
0.625 Remote Similarity NPC316807
0.625 Remote Similarity NPC109887
0.625 Remote Similarity NPC150557
0.625 Remote Similarity NPC477326
0.625 Remote Similarity NPC113745
0.625 Remote Similarity NPC272841
0.625 Remote Similarity NPC477325
0.625 Remote Similarity NPC477320
0.625 Remote Similarity NPC477329
0.625 Remote Similarity NPC477330
0.625 Remote Similarity NPC177343
0.625 Remote Similarity NPC133377
0.625 Remote Similarity NPC146380
0.625 Remote Similarity NPC475425
0.625 Remote Similarity NPC477328
0.617 Remote Similarity NPC227267
0.6164 Remote Similarity NPC85759
0.6164 Remote Similarity NPC477346
0.6164 Remote Similarity NPC146992
0.6164 Remote Similarity NPC294748
0.6164 Remote Similarity NPC158302
0.6164 Remote Similarity NPC170595
0.6164 Remote Similarity NPC22742
0.6164 Remote Similarity NPC477344
0.6143 Remote Similarity NPC138273
0.6081 Remote Similarity NPC163362
0.6081 Remote Similarity NPC471420
0.6081 Remote Similarity NPC267592
0.6081 Remote Similarity NPC127295
0.6081 Remote Similarity NPC100697

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC42503 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
0.9333 High Similarity NPD9000 Phase 3
0.9333 High Similarity NPD8993 Phase 1
0.9333 High Similarity NPD8998 Phase 2
0.9333 High Similarity NPD8999 Phase 3
0.9333 High Similarity NPD8997 Approved
0.9167 High Similarity NPD905 Approved
0.9167 High Similarity NPD904 Phase 3
0.8936 High Similarity NPD8966 Approved
0.8936 High Similarity NPD8965 Approved
0.88 High Similarity NPD890 Clinical (unspecified phase)
0.88 High Similarity NPD894 Approved
0.88 High Similarity NPD888 Phase 3
0.88 High Similarity NPD895 Approved
0.88 High Similarity NPD891 Phase 3
0.88 High Similarity NPD892 Phase 3
0.88 High Similarity NPD887 Approved
0.88 High Similarity NPD893 Approved
0.88 High Similarity NPD889 Approved
0.8667 High Similarity NPD8788 Approved
0.86 High Similarity NPD2269 Approved
0.8085 Intermediate Similarity NPD9006 Approved
0.8077 Intermediate Similarity NPD9035 Clinical (unspecified phase)
0.8077 Intermediate Similarity NPD9036 Phase 3
0.7963 Intermediate Similarity NPD2267 Suspended
0.7719 Intermediate Similarity NPD6123 Approved
0.7551 Intermediate Similarity NPD9218 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD9219 Approved
0.7458 Intermediate Similarity NPD847 Phase 1
0.74 Intermediate Similarity NPD8994 Approved
0.7273 Intermediate Similarity NPD7346 Approved
0.7193 Intermediate Similarity NPD369 Approved
0.7143 Intermediate Similarity NPD8957 Approved
0.7143 Intermediate Similarity NPD8958 Phase 2
0.7111 Intermediate Similarity NPD9053 Approved
0.7111 Intermediate Similarity NPD9052 Approved
0.7111 Intermediate Similarity NPD9051 Approved
0.7049 Intermediate Similarity NPD1457 Discontinued
0.6984 Remote Similarity NPD897 Approved
0.6984 Remote Similarity NPD896 Approved
0.6984 Remote Similarity NPD898 Approved
0.6909 Remote Similarity NPD9050 Approved
0.6909 Remote Similarity NPD9049 Discontinued
0.6885 Remote Similarity NPD8961 Approved
0.6735 Remote Similarity NPD8995 Clinical (unspecified phase)
0.6735 Remote Similarity NPD8996 Phase 3
0.66 Remote Similarity NPD8967 Approved
0.6562 Remote Similarity NPD9031 Approved
0.6562 Remote Similarity NPD9030 Approved
0.6562 Remote Similarity NPD9033 Approved
0.6562 Remote Similarity NPD9032 Approved
0.6552 Remote Similarity NPD885 Approved
0.6552 Remote Similarity NPD884 Clinical (unspecified phase)
0.6515 Remote Similarity NPD9445 Approved
0.6481 Remote Similarity NPD9139 Approved
0.6471 Remote Similarity NPD3181 Approved
0.6444 Remote Similarity NPD8814 Phase 3
0.6333 Remote Similarity NPD8959 Approved
0.6176 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6164 Remote Similarity NPD7329 Approved
0.614 Remote Similarity NPD1400 Approved
0.614 Remote Similarity NPD1399 Approved
0.6 Remote Similarity NPD389 Phase 3
0.6 Remote Similarity NPD9034 Approved
0.6 Remote Similarity NPD67 Phase 2
0.5915 Remote Similarity NPD1811 Approved
0.5915 Remote Similarity NPD1810 Approved
0.589 Remote Similarity NPD9434 Approved
0.589 Remote Similarity NPD9435 Approved
0.5789 Remote Similarity NPD9061 Clinical (unspecified phase)
0.5778 Remote Similarity NPD8549 Clinical (unspecified phase)
0.5769 Remote Similarity NPD361 Discontinued
0.5753 Remote Similarity NPD372 Clinical (unspecified phase)
0.5686 Remote Similarity NPD8976 Approved
0.5686 Remote Similarity NPD8977 Phase 3
0.5614 Remote Similarity NPD9005 Phase 3
0.5614 Remote Similarity NPD9003 Clinical (unspecified phase)
0.5614 Remote Similarity NPD9004 Approved
0.56 Remote Similarity NPD370 Phase 3

Structure

External Identifiers

PubChem CID   64947
ChEMBL   CHEMBL131853
ZINC  

Physicochemical Properties

Molecular Weight:  194.08
ALogP:  -2.1049
MLogP:  1.57
XLogP:  -1.607
# Rotatable Bonds:  7
Polar Surface Area:  99.38
# H-Bond Aceptor:  6
# H-Bond Donor:  4
# Rings:  1
# Heavy Atoms:  13

Download Data

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