Natural Product: NPC223386

Natural Product ID:  NPC223386
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C7H15NO5
Standard InCHIKey:  CLVUFWXGNIFGNC-BNWJMWRWSA-N
Standard InCHI:  InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7-/m1/s1
Canonical SMILES:  OC[C@H]1N[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
NPO33446 aglaonema treubii Species Araceae Eukaryota PMID[10560746]
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 = 24950 nM 20521839
NPT1055 Individual Protein Neutral alpha-glucosidase C Mus musculus IC50 < 50000 nM 11754601
NPT6631 Individual Protein Neutral alpha-glucosidase C Homo sapiens IC50 = 80000 nM 11754601
NPT6372 Individual Protein Alpha-galactosidase A Rattus norvegicus IC50 = 67000 nM 11754601
NPT509 Individual Protein Beta-galactosidase Bos taurus IC50 = 160000 nM 11754601
NPT503 Individual Protein Alpha-L-fucosidase I Homo sapiens Inhibition > 50 % 9644063
NPT2 Others Unspecified FC = 2 17923492

  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 NPC223386 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 NPC471780
1.0 High Similarity NPC471892
1.0 High Similarity NPC142290
1.0 High Similarity NPC75435
1.0 High Similarity NPC198341
0.9833 High Similarity NPC286851
0.9833 High Similarity NPC303798
0.9661 High Similarity NPC69669
0.9661 High Similarity NPC218150
0.9661 High Similarity NPC2432
0.9661 High Similarity NPC150680
0.9661 High Similarity NPC22774
0.9661 High Similarity NPC306462
0.9516 High Similarity NPC471418
0.9365 High Similarity NPC268922
0.9194 High Similarity NPC315980
0.9153 High Similarity NPC290106
0.9153 High Similarity NPC143809
0.9153 High Similarity NPC76726
0.9153 High Similarity NPC193593
0.9077 High Similarity NPC28959
0.9077 High Similarity NPC285014
0.9077 High Similarity NPC137554
0.9077 High Similarity NPC476696
0.9077 High Similarity NPC299603
0.9077 High Similarity NPC255535
0.9077 High Similarity NPC476695
0.9077 High Similarity NPC476694
0.8667 High Similarity NPC204709
0.8594 High Similarity NPC77191
0.8594 High Similarity NPC116377
0.8594 High Similarity NPC69798
0.8594 High Similarity NPC473952
0.8594 High Similarity NPC101746
0.8571 High Similarity NPC471419
0.8571 High Similarity NPC163134
0.8525 High Similarity NPC170172
0.8154 Intermediate Similarity NPC474928
0.8088 Intermediate Similarity NPC473710
0.8088 Intermediate Similarity NPC475694
0.806 Intermediate Similarity NPC126664
0.806 Intermediate Similarity NPC34291
0.7969 Intermediate Similarity NPC8087
0.7969 Intermediate Similarity NPC62507
0.7937 Intermediate Similarity NPC233364
0.7937 Intermediate Similarity NPC471421
0.7867 Intermediate Similarity NPC271772
0.7867 Intermediate Similarity NPC36927
0.7857 Intermediate Similarity NPC474468
0.7703 Intermediate Similarity NPC98750
0.7692 Intermediate Similarity NPC57846
0.7692 Intermediate Similarity NPC474014
0.7692 Intermediate Similarity NPC30126
0.7619 Intermediate Similarity NPC10262
0.7619 Intermediate Similarity NPC65832
0.7619 Intermediate Similarity NPC311668
0.7612 Intermediate Similarity NPC233034
0.76 Intermediate Similarity NPC70574
0.7308 Intermediate Similarity NPC165119
0.7273 Intermediate Similarity NPC219340
0.7143 Intermediate Similarity NPC83248
0.7143 Intermediate Similarity NPC291650
0.7143 Intermediate Similarity NPC100204
0.7143 Intermediate Similarity NPC272396
0.7143 Intermediate Similarity NPC322801
0.7143 Intermediate Similarity NPC129100
0.7077 Intermediate Similarity NPC8979
0.7042 Intermediate Similarity NPC107224
0.7042 Intermediate Similarity NPC171850
0.7037 Intermediate Similarity NPC469363
0.7013 Intermediate Similarity NPC150557
0.6986 Remote Similarity NPC306973
0.6951 Remote Similarity NPC306838
0.6849 Remote Similarity NPC163538
0.6849 Remote Similarity NPC115800
0.6835 Remote Similarity NPC471420
0.6806 Remote Similarity NPC474469
0.6769 Remote Similarity NPC275727
0.6761 Remote Similarity NPC12514
0.6761 Remote Similarity NPC294883
0.6712 Remote Similarity NPC475127
0.6712 Remote Similarity NPC475715
0.6712 Remote Similarity NPC473419
0.6667 Remote Similarity NPC141156
0.6667 Remote Similarity NPC185084
0.6667 Remote Similarity NPC184150
0.6623 Remote Similarity NPC477002
0.6623 Remote Similarity NPC244539
0.6615 Remote Similarity NPC277072
0.6615 Remote Similarity NPC178263
0.6575 Remote Similarity NPC74555
0.6575 Remote Similarity NPC266242
0.6575 Remote Similarity NPC254617
0.6575 Remote Similarity NPC306763
0.6538 Remote Similarity NPC313762
0.6462 Remote Similarity NPC123814
0.6438 Remote Similarity NPC59221
0.6349 Remote Similarity NPC29222
0.6349 Remote Similarity NPC96966
0.6349 Remote Similarity NPC121062
0.6338 Remote Similarity NPC17455
0.6304 Remote Similarity NPC315170
0.6296 Remote Similarity NPC314762
0.6212 Remote Similarity NPC474322
0.6184 Remote Similarity NPC327753
0.6184 Remote Similarity NPC327486
0.6184 Remote Similarity NPC223174
0.6164 Remote Similarity NPC472609
0.6154 Remote Similarity NPC26932
0.6143 Remote Similarity NPC268927
0.6143 Remote Similarity NPC276928
0.6143 Remote Similarity NPC64250
0.6111 Remote Similarity NPC145627
0.6098 Remote Similarity NPC318258
0.6064 Remote Similarity NPC315036
0.6064 Remote Similarity NPC471628
0.6064 Remote Similarity NPC56298
0.6056 Remote Similarity NPC319131
0.6 Remote Similarity NPC78312
0.6 Remote Similarity NPC135539
0.6 Remote Similarity NPC221764
0.6 Remote Similarity NPC196359
0.5976 Remote Similarity NPC473971
0.5976 Remote Similarity NPC473972
0.5976 Remote Similarity NPC475363
0.5952 Remote Similarity NPC315969
0.5949 Remote Similarity NPC208657
0.5909 Remote Similarity NPC470282
0.5882 Remote Similarity NPC263058
0.5854 Remote Similarity NPC314968
0.5854 Remote Similarity NPC314772
0.5833 Remote Similarity NPC68974
0.5823 Remote Similarity NPC55274
0.5811 Remote Similarity NPC106216
0.5811 Remote Similarity NPC88898
0.5747 Remote Similarity NPC253975
0.5747 Remote Similarity NPC192025
0.5747 Remote Similarity NPC125253
0.5714 Remote Similarity NPC195165
0.57 Remote Similarity NPC319537
0.57 Remote Similarity NPC313272
0.5682 Remote Similarity NPC83839
0.5676 Remote Similarity NPC47333
0.5652 Remote Similarity NPC270041
0.5641 Remote Similarity NPC223893
0.5634 Remote Similarity NPC293551
0.5618 Remote Similarity NPC313552
0.561 Remote Similarity NPC212008
0.561 Remote Similarity NPC62293
0.561 Remote Similarity NPC51055
0.561 Remote Similarity NPC140327

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC223386 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
0.9661 High Similarity NPD9027 Phase 3
0.9661 High Similarity NPD9029 Phase 3
0.9661 High Similarity NPD9028 Phase 2
0.9661 High Similarity NPD9026 Phase 2
0.8387 Intermediate Similarity NPD9455 Approved
0.8254 Intermediate Similarity NPD393 Approved
0.8095 Intermediate Similarity NPD9239 Approved
0.8095 Intermediate Similarity NPD9240 Approved
0.806 Intermediate Similarity NPD9443 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD9022 Phase 2
0.7692 Intermediate Similarity NPD9024 Phase 2
0.7612 Intermediate Similarity NPD9440 Discontinued
0.7143 Intermediate Similarity NPD9033 Approved
0.7143 Intermediate Similarity NPD9030 Approved
0.7143 Intermediate Similarity NPD9032 Approved
0.7143 Intermediate Similarity NPD9031 Approved
0.7125 Intermediate Similarity NPD9401 Discovery
0.7042 Intermediate Similarity NPD9444 Discontinued
0.7037 Intermediate Similarity NPD394 Phase 3
0.6667 Remote Similarity NPD883 Phase 2
0.6667 Remote Similarity NPD882 Phase 2
0.6579 Remote Similarity NPD67 Phase 2
0.6579 Remote Similarity NPD9034 Approved
0.6462 Remote Similarity NPD3215 Phase 1
0.6184 Remote Similarity NPD9445 Approved
0.6154 Remote Similarity NPD3214 Discontinued
0.6125 Remote Similarity NPD372 Clinical (unspecified phase)
0.6064 Remote Similarity NPD4836 Approved
0.6064 Remote Similarity NPD4837 Approved
0.6064 Remote Similarity NPD4835 Approved
0.6064 Remote Similarity NPD4838 Approved
0.6026 Remote Similarity NPD6704 Discontinued
0.6 Remote Similarity NPD8868 Approved
0.5854 Remote Similarity NPD9434 Approved
0.5854 Remote Similarity NPD9435 Approved
0.5851 Remote Similarity NPD4282 Approved
0.5816 Remote Similarity NPD2700 Approved
0.5714 Remote Similarity NPD9429 Discontinued
0.5714 Remote Similarity NPD8045 Clinical (unspecified phase)
0.5692 Remote Similarity NPD399 Approved
0.5692 Remote Similarity NPD398 Approved
0.5692 Remote Similarity NPD400 Approved
0.5658 Remote Similarity NPD9442 Clinical (unspecified phase)
0.5618 Remote Similarity NPD3200 Clinical (unspecified phase)
0.561 Remote Similarity NPD9407 Approved
0.56 Remote Similarity NPD9211 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL2111688
ZINC  

Physicochemical Properties

Molecular Weight:  193.10
ALogP:  -2.9507
MLogP:  1.57
XLogP:  -1.172
# Rotatable Bonds:  7
Polar Surface Area:  113.18
# H-Bond Aceptor:  6
# H-Bond Donor:  6
# Rings:  1
# Heavy Atoms:  13

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs