Natural Product: NPC36927

Natural Product ID:  NPC36927
Common Name:   7-O-B-D-Glucopyranosyl-A-Homonojirimycin
IUPAC Name:   (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4,5-triol
Synonyms:  
Molecular Formula:   C13H25NO10
Standard InCHIKey:  VCIPQQCYKMORDY-KBYFLBCBSA-N
Standard InCHI:  InChI=1S/C13H25NO10/c15-1-4-7(17)10(20)8(18)5(14-4)3-23-13-12(22)11(21)9(19)6(2-16)24-13/h4-22H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12-,13-/m1/s1
Canonical SMILES:  OC[C@H]1N[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)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
NPO25280 Suregada glomerulata Species Euphorbiaceae Eukaryota Leaves PMID[23993676]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 4220 nM 23376010
NPT32 Organism Mus musculus Mus musculus Activity = 133.3 mg/dl 21907466
NPT32 Organism Mus musculus Mus musculus Activity = 130.8 mg/dl 8496706
NPT32 Organism Mus musculus Mus musculus Activity = 146.8 mg/dl 24223237
NPT462 Individual Protein Sucrase-isomaltase Rattus norvegicus IC50 = 600 nM 26003344
NPT32 Organism Mus musculus Mus musculus Activity = 135.1 mg/dl 10514323
NPT2 Others Unspecified Inhibition < 50 % 19552432
NPT671 Individual Protein Acidic alpha-glucosidase Rattus norvegicus IC50 = 380 nM 17060532
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Inhibition < 50 % 19128055
NPT3906 Individual Protein Glycogen debranching enzyme Oryctolagus cuniculus IC50 = 6100 nM 15332848
NPT462 Individual Protein Sucrase-isomaltase Rattus norvegicus IC50 = 2600 nM 16274989
NPT60 Individual Protein Lysosomal alpha-glucosidase Homo sapiens IC50 = 18000 nM 24387347
NPT32 Organism Mus musculus Mus musculus Activity = 204.1 mg/dl 10514305
NPT32 Organism Mus musculus Mus musculus Activity = 187.1 mg/dl 11170656

  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 NPC36927 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 NPC271772
0.9733 High Similarity NPC70574
0.96 High Similarity NPC98750
0.9091 High Similarity NPC150557
0.8902 High Similarity NPC306838
0.8875 High Similarity NPC165119
0.8861 High Similarity NPC471420
0.8734 High Similarity NPC83248
0.8734 High Similarity NPC100204
0.8049 Intermediate Similarity NPC318258
0.8026 Intermediate Similarity NPC471418
0.7922 Intermediate Similarity NPC268922
0.7867 Intermediate Similarity NPC198341
0.7867 Intermediate Similarity NPC223386
0.7867 Intermediate Similarity NPC471892
0.7867 Intermediate Similarity NPC142290
0.7867 Intermediate Similarity NPC471780
0.7867 Intermediate Similarity NPC75435
0.7766 Intermediate Similarity NPC315036
0.7763 Intermediate Similarity NPC303798
0.7763 Intermediate Similarity NPC286851
0.7727 Intermediate Similarity NPC470282
0.7722 Intermediate Similarity NPC476694
0.7722 Intermediate Similarity NPC476696
0.7722 Intermediate Similarity NPC476695
0.7662 Intermediate Similarity NPC129100
0.7662 Intermediate Similarity NPC291650
0.7662 Intermediate Similarity NPC322801
0.76 Intermediate Similarity NPC306462
0.76 Intermediate Similarity NPC150680
0.76 Intermediate Similarity NPC69669
0.76 Intermediate Similarity NPC22774
0.76 Intermediate Similarity NPC218150
0.76 Intermediate Similarity NPC2432
0.7579 Intermediate Similarity NPC471628
0.7579 Intermediate Similarity NPC56298
0.75 Intermediate Similarity NPC316807
0.7442 Intermediate Similarity NPC315969
0.7356 Intermediate Similarity NPC263058
0.7333 Intermediate Similarity NPC43850
0.7333 Intermediate Similarity NPC477060
0.7333 Intermediate Similarity NPC314007
0.7333 Intermediate Similarity NPC123746
0.7333 Intermediate Similarity NPC314408
0.7308 Intermediate Similarity NPC315980
0.7284 Intermediate Similarity NPC285014
0.7284 Intermediate Similarity NPC299603
0.7284 Intermediate Similarity NPC255535
0.7284 Intermediate Similarity NPC137554
0.7284 Intermediate Similarity NPC28959
0.7273 Intermediate Similarity NPC471419
0.7273 Intermediate Similarity NPC163134
0.7222 Intermediate Similarity NPC313552
0.72 Intermediate Similarity NPC143809
0.72 Intermediate Similarity NPC76726
0.72 Intermediate Similarity NPC290106
0.72 Intermediate Similarity NPC193593
0.7191 Intermediate Similarity NPC125253
0.7191 Intermediate Similarity NPC192025
0.7191 Intermediate Similarity NPC253975
0.7174 Intermediate Similarity NPC176381
0.7174 Intermediate Similarity NPC195969
0.7143 Intermediate Similarity NPC214376
0.7115 Intermediate Similarity NPC314306
0.7111 Intermediate Similarity NPC83839
0.7065 Intermediate Similarity NPC470284
0.7 Intermediate Similarity NPC221148
0.6988 Remote Similarity NPC474468
0.6979 Remote Similarity NPC330590
0.6951 Remote Similarity NPC473710
0.6951 Remote Similarity NPC223174
0.6951 Remote Similarity NPC475694
0.6951 Remote Similarity NPC327753
0.6951 Remote Similarity NPC327486
0.6947 Remote Similarity NPC315334
0.6875 Remote Similarity NPC116377
0.6875 Remote Similarity NPC473952
0.6875 Remote Similarity NPC101746
0.6875 Remote Similarity NPC69798
0.6875 Remote Similarity NPC77191
0.6842 Remote Similarity NPC204709
0.6842 Remote Similarity NPC328646
0.6813 Remote Similarity NPC476523
0.6753 Remote Similarity NPC233364
0.6753 Remote Similarity NPC471421
0.6753 Remote Similarity NPC170172
0.6707 Remote Similarity NPC126664
0.6707 Remote Similarity NPC171850
0.6707 Remote Similarity NPC34291
0.6701 Remote Similarity NPC470283
0.6606 Remote Similarity NPC313813
0.6604 Remote Similarity NPC121479
0.6604 Remote Similarity NPC57436
0.66 Remote Similarity NPC315170
0.6591 Remote Similarity NPC314772
0.6591 Remote Similarity NPC314968
0.6543 Remote Similarity NPC474928
0.6533 Remote Similarity NPC145112
0.6533 Remote Similarity NPC242073
0.6533 Remote Similarity NPC157514
0.6533 Remote Similarity NPC269166
0.6533 Remote Similarity NPC165198
0.6533 Remote Similarity NPC107914
0.6533 Remote Similarity NPC58629
0.6533 Remote Similarity NPC246558
0.6533 Remote Similarity NPC67660
0.6533 Remote Similarity NPC89145
0.6495 Remote Similarity NPC270005
0.6495 Remote Similarity NPC208537
0.6447 Remote Similarity NPC303727
0.641 Remote Similarity NPC472025
0.6383 Remote Similarity NPC469363
0.6375 Remote Similarity NPC477763
0.6375 Remote Similarity NPC477750
0.6375 Remote Similarity NPC477757
0.6375 Remote Similarity NPC62507
0.6375 Remote Similarity NPC477755
0.6375 Remote Similarity NPC8087
0.6375 Remote Similarity NPC477762
0.6375 Remote Similarity NPC477753
0.6341 Remote Similarity NPC233034
0.6327 Remote Similarity NPC475603
0.6327 Remote Similarity NPC61894
0.6321 Remote Similarity NPC317534
0.6311 Remote Similarity NPC188453
0.6311 Remote Similarity NPC42320
0.6296 Remote Similarity NPC17455
0.6273 Remote Similarity NPC241597
0.6267 Remote Similarity NPC326533
0.6261 Remote Similarity NPC20035
0.625 Remote Similarity NPC227622
0.6196 Remote Similarity NPC219340
0.6173 Remote Similarity NPC57846
0.6173 Remote Similarity NPC30126
0.6173 Remote Similarity NPC474014
0.6125 Remote Similarity NPC34877
0.6125 Remote Similarity NPC317023
0.6125 Remote Similarity NPC290179
0.6104 Remote Similarity NPC130683
0.6104 Remote Similarity NPC323361
0.6092 Remote Similarity NPC306973
0.6076 Remote Similarity NPC8979
0.6076 Remote Similarity NPC311668
0.6076 Remote Similarity NPC10262
0.6076 Remote Similarity NPC148424
0.6076 Remote Similarity NPC65832
0.6071 Remote Similarity NPC471760
0.6071 Remote Similarity NPC471761
0.6071 Remote Similarity NPC190418
0.6066 Remote Similarity NPC262050
0.6053 Remote Similarity NPC124963
0.6053 Remote Similarity NPC233726
0.6053 Remote Similarity NPC23134
0.6049 Remote Similarity NPC143326
0.6038 Remote Similarity NPC314413
0.6038 Remote Similarity NPC314398
0.6038 Remote Similarity NPC239705
0.602 Remote Similarity NPC292345
0.6019 Remote Similarity NPC137453
0.6 Remote Similarity NPC477002
0.6 Remote Similarity NPC477751
0.6 Remote Similarity NPC477752
0.6 Remote Similarity NPC477756
0.6 Remote Similarity NPC477764
0.5983 Remote Similarity NPC94319
0.5981 Remote Similarity NPC62845
0.5981 Remote Similarity NPC322449
0.5981 Remote Similarity NPC166242
0.5981 Remote Similarity NPC189854
0.5981 Remote Similarity NPC92874
0.5977 Remote Similarity NPC163538
0.5977 Remote Similarity NPC115800
0.5955 Remote Similarity NPC208657
0.593 Remote Similarity NPC477761
0.593 Remote Similarity NPC107224
0.593 Remote Similarity NPC477759
0.593 Remote Similarity NPC474469
0.593 Remote Similarity NPC477760
0.593 Remote Similarity NPC477758
0.593 Remote Similarity NPC477754
0.5926 Remote Similarity NPC10897
0.5926 Remote Similarity NPC325900
0.5922 Remote Similarity NPC189629
0.592 Remote Similarity NPC297058
0.5905 Remote Similarity NPC271207
0.5905 Remote Similarity NPC206711
0.5905 Remote Similarity NPC225978
0.5905 Remote Similarity NPC255175
0.59 Remote Similarity NPC209047
0.59 Remote Similarity NPC139782
0.59 Remote Similarity NPC43074
0.59 Remote Similarity NPC74672
0.59 Remote Similarity NPC242503
0.5888 Remote Similarity NPC55336
0.5882 Remote Similarity NPC68327
0.5882 Remote Similarity NPC296686
0.5872 Remote Similarity NPC59589
0.5862 Remote Similarity NPC475715
0.5862 Remote Similarity NPC97736
0.5862 Remote Similarity NPC67099

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC36927 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
0.7662 Intermediate Similarity NPD9031 Approved
0.7662 Intermediate Similarity NPD9033 Approved
0.7662 Intermediate Similarity NPD9032 Approved
0.7662 Intermediate Similarity NPD9030 Approved
0.76 Intermediate Similarity NPD9026 Phase 2
0.76 Intermediate Similarity NPD9029 Phase 3
0.76 Intermediate Similarity NPD9027 Phase 3
0.76 Intermediate Similarity NPD9028 Phase 2
0.7579 Intermediate Similarity NPD4835 Approved
0.7579 Intermediate Similarity NPD4837 Approved
0.7579 Intermediate Similarity NPD4838 Approved
0.7579 Intermediate Similarity NPD4836 Approved
0.7416 Intermediate Similarity NPD3200 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD4282 Approved
0.7347 Intermediate Similarity NPD8045 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD3207 Approved
0.7333 Intermediate Similarity NPD3208 Approved
0.7333 Intermediate Similarity NPD3201 Approved
0.7333 Intermediate Similarity NPD3203 Approved
0.7333 Intermediate Similarity NPD3202 Approved
0.7333 Intermediate Similarity NPD3209 Approved
0.7317 Intermediate Similarity NPD67 Phase 2
0.7317 Intermediate Similarity NPD9034 Approved
0.7174 Intermediate Similarity NPD5794 Approved
0.7174 Intermediate Similarity NPD5798 Approved
0.7174 Intermediate Similarity NPD5795 Approved
0.7174 Intermediate Similarity NPD5797 Approved
0.7174 Intermediate Similarity NPD5796 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2698 Approved
0.7115 Intermediate Similarity NPD6430 Approved
0.7115 Intermediate Similarity NPD6429 Approved
0.7105 Intermediate Similarity NPD9455 Approved
0.71 Intermediate Similarity NPD2700 Approved
0.7059 Intermediate Similarity NPD372 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD5376 Approved
0.7013 Intermediate Similarity NPD393 Approved
0.7 Intermediate Similarity NPD1449 Approved
0.7 Intermediate Similarity NPD1450 Approved
0.6979 Remote Similarity NPD5377 Approved
0.6979 Remote Similarity NPD5378 Approved
0.6979 Remote Similarity NPD5381 Approved
0.6966 Remote Similarity NPD882 Phase 2
0.6966 Remote Similarity NPD883 Phase 2
0.6951 Remote Similarity NPD9445 Approved
0.6907 Remote Similarity NPD6428 Approved
0.6857 Remote Similarity NPD2690 Discontinued
0.6818 Remote Similarity NPD8347 Approved
0.6818 Remote Similarity NPD8346 Approved
0.6818 Remote Similarity NPD8345 Approved
0.6762 Remote Similarity NPD8087 Discontinued
0.6707 Remote Similarity NPD9443 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3204 Clinical (unspecified phase)
0.6667 Remote Similarity NPD9239 Approved
0.6667 Remote Similarity NPD9240 Approved
0.6667 Remote Similarity NPD881 Approved
0.6604 Remote Similarity NPD4833 Approved
0.6604 Remote Similarity NPD35 Approved
0.6591 Remote Similarity NPD9435 Approved
0.6591 Remote Similarity NPD9434 Approved
0.6588 Remote Similarity NPD6704 Discontinued
0.6543 Remote Similarity NPD1457 Discontinued
0.6533 Remote Similarity NPD891 Phase 3
0.6533 Remote Similarity NPD892 Phase 3
0.6533 Remote Similarity NPD893 Approved
0.6533 Remote Similarity NPD890 Clinical (unspecified phase)
0.6533 Remote Similarity NPD888 Phase 3
0.6509 Remote Similarity NPD6941 Approved
0.6476 Remote Similarity NPD8140 Approved
0.6429 Remote Similarity NPD1446 Phase 3
0.6429 Remote Similarity NPD1447 Phase 3
0.6346 Remote Similarity NPD8276 Approved
0.6346 Remote Similarity NPD8275 Approved
0.6341 Remote Similarity NPD9440 Discontinued
0.6321 Remote Similarity NPD8307 Discontinued
0.6306 Remote Similarity NPD4830 Approved
0.6306 Remote Similarity NPD4831 Approved
0.6306 Remote Similarity NPD4832 Approved
0.6289 Remote Similarity NPD3716 Discontinued
0.6277 Remote Similarity NPD361 Discontinued
0.6273 Remote Similarity NPD3731 Phase 3
0.6267 Remote Similarity NPD905 Approved
0.6267 Remote Similarity NPD904 Phase 3
0.625 Remote Similarity NPD8086 Approved
0.625 Remote Similarity NPD8139 Approved
0.625 Remote Similarity NPD8138 Approved
0.625 Remote Similarity NPD8084 Approved
0.625 Remote Similarity NPD8082 Approved
0.625 Remote Similarity NPD8085 Approved
0.625 Remote Similarity NPD8083 Approved
0.6226 Remote Similarity NPD8393 Approved
0.6211 Remote Similarity NPD394 Phase 3
0.6173 Remote Similarity NPD9022 Phase 2
0.6173 Remote Similarity NPD9024 Phase 2
0.6132 Remote Similarity NPD8081 Approved
0.6121 Remote Similarity NPD6436 Phase 3
0.6117 Remote Similarity NPD2255 Approved
0.6105 Remote Similarity NPD9401 Discovery
0.6104 Remote Similarity NPD887 Approved
0.6104 Remote Similarity NPD895 Approved
0.6104 Remote Similarity NPD889 Approved
0.6104 Remote Similarity NPD894 Approved
0.6082 Remote Similarity NPD4759 Clinical (unspecified phase)
0.602 Remote Similarity NPD618 Clinical (unspecified phase)
0.5983 Remote Similarity NPD4828 Approved
0.5983 Remote Similarity NPD4827 Approved
0.5983 Remote Similarity NPD4826 Approved
0.5976 Remote Similarity NPD6123 Approved
0.5974 Remote Similarity NPD2269 Approved
0.5955 Remote Similarity NPD389 Phase 3
0.5943 Remote Similarity NPD7140 Approved
0.5943 Remote Similarity NPD7139 Approved
0.5943 Remote Similarity NPD7141 Clinical (unspecified phase)
0.593 Remote Similarity NPD9444 Discontinued
0.5909 Remote Similarity NPD8306 Approved
0.5909 Remote Similarity NPD8305 Approved
0.59 Remote Similarity NPD8522 Clinical (unspecified phase)
0.5882 Remote Similarity NPD577 Phase 3
0.5882 Remote Similarity NPD591 Approved
0.569 Remote Similarity NPD8137 Clinical (unspecified phase)
0.5679 Remote Similarity NPD2267 Suspended
0.5648 Remote Similarity NPD8301 Approved
0.5648 Remote Similarity NPD8300 Approved
0.5632 Remote Similarity NPD374 Approved
0.5632 Remote Similarity NPD373 Approved
0.5619 Remote Similarity NPD3190 Approved
0.5619 Remote Similarity NPD3189 Approved
0.5619 Remote Similarity NPD3191 Approved
0.561 Remote Similarity NPD369 Approved
0.56 Remote Similarity NPD8998 Phase 2
0.56 Remote Similarity NPD8999 Phase 3
0.56 Remote Similarity NPD8997 Approved
0.56 Remote Similarity NPD8993 Phase 1
0.56 Remote Similarity NPD9000 Phase 3

Structure

External Identifiers

PubChem CID   457676
ChEMBL   CHEMBL478209
ZINC  

Physicochemical Properties

Molecular Weight:  355.15
ALogP:  -4.6976
MLogP:  1.68
XLogP:  -2.709
# Rotatable Bonds:  13
Polar Surface Area:  192.33
# H-Bond Aceptor:  11
# H-Bond Donor:  9
# Rings:  2
# Heavy Atoms:  24

Download Data

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