Natural Product: NPC195262

Natural Product ID:  NPC195262
Common Name:   Knerachelin B
IUPAC Name:   1-(2,6-dihydroxyphenyl)-5-phenylpentan-1-one
Synonyms:  
Molecular Formula:   C17H18O3
Standard InCHIKey:  MCFQVPWNIUZPJV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C17H18O3/c18-14(17-15(19)11-6-12-16(17)20)10-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,11-12,19-20H,4-5,9-10H2
Canonical SMILES:  O=C(c1c(O)cccc1O)CCCCc1ccccc1
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
NPO5326 Knema furfuracea Species Myristicaceae Eukaryota PMID[8254357]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT19 Organism Escherichia coli Escherichia coli MIC > 128 ug/ml 19916528
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MIC = 8 ug/ml 19072209
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC > 128 ug/ml 10075750
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC > 128 ug/ml 8946743
NPT720 Organism Enterobacter aerogenes Enterobacter aerogenes MIC > 128 ug/ml 8946743
NPT1248 Organism Serratia marcescens Serratia marcescens MIC > 128 ug/ml 11549467
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 128 ug/ml 11549467
NPT19 Organism Escherichia coli Escherichia coli MIC > 128 ug/ml 15711537
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC = 16 ug/ml 15711537
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MIC = 8 ug/ml PubChem BioAssay data set
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 16 ug/ml PubChem BioAssay data set
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 4 ug/ml PubChem BioAssay data set
NPT174 Organism Streptococcus Streptococcus MIC = 4 ug/ml PubChem BioAssay data set
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 4 ug/ml 18412395
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 4 ug/ml 15568762
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 4 ug/ml 26115570

  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 NPC195262 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 NPC188814
0.9737 High Similarity NPC196976
0.9643 High Similarity NPC121259
0.9397 High Similarity NPC156139
0.9397 High Similarity NPC242895
0.9375 High Similarity NPC276111
0.9375 High Similarity NPC118288
0.9328 High Similarity NPC267846
0.9328 High Similarity NPC62952
0.9316 High Similarity NPC133909
0.9316 High Similarity NPC32032
0.931 High Similarity NPC297186
0.925 High Similarity NPC103356
0.925 High Similarity NPC266689
0.925 High Similarity NPC116513
0.925 High Similarity NPC105157
0.925 High Similarity NPC30501
0.925 High Similarity NPC162612
0.925 High Similarity NPC100067
0.925 High Similarity NPC23126
0.925 High Similarity NPC169250
0.925 High Similarity NPC72158
0.925 High Similarity NPC98254
0.925 High Similarity NPC190043
0.9231 High Similarity NPC45438
0.9231 High Similarity NPC73532
0.9231 High Similarity NPC143427
0.9231 High Similarity NPC267552
0.9231 High Similarity NPC224273
0.9231 High Similarity NPC115159
0.9231 High Similarity NPC19174
0.9174 High Similarity NPC473017
0.9174 High Similarity NPC21305
0.9174 High Similarity NPC221777
0.9145 High Similarity NPC149246
0.9098 High Similarity NPC474998
0.9098 High Similarity NPC92624
0.9098 High Similarity NPC109123
0.906 High Similarity NPC159525
0.9024 High Similarity NPC244441
0.9024 High Similarity NPC259942
0.9008 High Similarity NPC8745
0.9 High Similarity NPC13238
0.8992 High Similarity NPC309765
0.8992 High Similarity NPC91105
0.8974 High Similarity NPC158222
0.8974 High Similarity NPC161617
0.8952 High Similarity NPC475042
0.8926 High Similarity NPC10926
0.8917 High Similarity NPC65761
0.8917 High Similarity NPC472029
0.8908 High Similarity NPC215392
0.8908 High Similarity NPC303737
0.8898 High Similarity NPC294037
0.8889 High Similarity NPC209486
0.8889 High Similarity NPC40649
0.888 High Similarity NPC475009
0.888 High Similarity NPC175738
0.888 High Similarity NPC475008
0.888 High Similarity NPC186097
0.8824 High Similarity NPC146642
0.881 High Similarity NPC213485
0.881 High Similarity NPC40524
0.881 High Similarity NPC139074
0.88 High Similarity NPC275504
0.879 High Similarity NPC476119
0.879 High Similarity NPC102829
0.879 High Similarity NPC120488
0.8783 High Similarity NPC223004
0.877 High Similarity NPC475733
0.877 High Similarity NPC477454
0.875 High Similarity NPC141523
0.874 High Similarity NPC282780
0.874 High Similarity NPC28753
0.874 High Similarity NPC166480
0.874 High Similarity NPC20560
0.874 High Similarity NPC159623
0.874 High Similarity NPC144051
0.874 High Similarity NPC204960
0.874 High Similarity NPC82225
0.874 High Similarity NPC294593
0.874 High Similarity NPC18877
0.872 High Similarity NPC115998
0.872 High Similarity NPC233056
0.872 High Similarity NPC39753
0.8699 High Similarity NPC473691
0.8678 High Similarity NPC244351
0.8673 High Similarity NPC224584
0.8672 High Similarity NPC61153
0.8672 High Similarity NPC283590
0.8672 High Similarity NPC130899
0.8672 High Similarity NPC470210
0.8672 High Similarity NPC70859
0.8672 High Similarity NPC286336
0.8667 High Similarity NPC229649
0.8667 High Similarity NPC248363
0.8651 High Similarity NPC137264
0.864 High Similarity NPC197425
0.864 High Similarity NPC187907
0.8605 High Similarity NPC13575
0.8605 High Similarity NPC264112
0.8605 High Similarity NPC65005
0.8605 High Similarity NPC131039
0.8605 High Similarity NPC194764
0.8595 High Similarity NPC226275
0.8594 High Similarity NPC337373
0.8594 High Similarity NPC475088
0.8594 High Similarity NPC56031
0.8594 High Similarity NPC139813
0.8594 High Similarity NPC312318
0.8594 High Similarity NPC263670
0.8594 High Similarity NPC192304
0.8594 High Similarity NPC175098
0.8594 High Similarity NPC188646
0.8594 High Similarity NPC472365
0.8594 High Similarity NPC242294
0.8583 High Similarity NPC64359
0.8583 High Similarity NPC135801
0.8583 High Similarity NPC262359
0.8583 High Similarity NPC313618
0.8583 High Similarity NPC308037
0.8571 High Similarity NPC26697
0.8559 High Similarity NPC477453
0.8538 High Similarity NPC477244
0.8538 High Similarity NPC66349
0.8538 High Similarity NPC477243
0.8538 High Similarity NPC213603
0.8538 High Similarity NPC98115
0.8538 High Similarity NPC249606
0.8538 High Similarity NPC41461
0.8538 High Similarity NPC25287
0.8538 High Similarity NPC474110
0.8538 High Similarity NPC12165
0.8538 High Similarity NPC477242
0.8538 High Similarity NPC290030
0.8538 High Similarity NPC1486
0.8538 High Similarity NPC186838
0.8538 High Similarity NPC44960
0.8538 High Similarity NPC274109
0.8538 High Similarity NPC168105
0.8538 High Similarity NPC150399
0.8527 High Similarity NPC103842
0.8525 High Similarity NPC232708
0.8516 High Similarity NPC129132
0.8516 High Similarity NPC257756
0.8516 High Similarity NPC205468
0.8516 High Similarity NPC87231
0.8516 High Similarity NPC212631
0.8504 High Similarity NPC469526
0.8504 High Similarity NPC34070
0.85 High Similarity NPC184579
0.85 High Similarity NPC233165
0.8473 Intermediate Similarity NPC472419
0.8473 Intermediate Similarity NPC153979
0.8473 Intermediate Similarity NPC317119
0.8462 Intermediate Similarity NPC118919
0.8462 Intermediate Similarity NPC156092
0.8462 Intermediate Similarity NPC191976
0.845 Intermediate Similarity NPC44437
0.8438 Intermediate Similarity NPC112192
0.8438 Intermediate Similarity NPC164236
0.8438 Intermediate Similarity NPC309717
0.8438 Intermediate Similarity NPC128348
0.8438 Intermediate Similarity NPC189106
0.8438 Intermediate Similarity NPC113006
0.8438 Intermediate Similarity NPC66384
0.843 Intermediate Similarity NPC294964
0.8425 Intermediate Similarity NPC17840
0.8425 Intermediate Similarity NPC247477
0.8417 Intermediate Similarity NPC283844
0.8417 Intermediate Similarity NPC184527
0.8417 Intermediate Similarity NPC249435
0.8417 Intermediate Similarity NPC241089
0.8413 Intermediate Similarity NPC475017
0.8409 Intermediate Similarity NPC243528
0.8409 Intermediate Similarity NPC242994
0.8409 Intermediate Similarity NPC124269
0.8409 Intermediate Similarity NPC472368
0.8409 Intermediate Similarity NPC251681
0.8409 Intermediate Similarity NPC138099
0.8409 Intermediate Similarity NPC472903
0.8409 Intermediate Similarity NPC112789
0.8409 Intermediate Similarity NPC21350
0.8409 Intermediate Similarity NPC19622
0.8407 Intermediate Similarity NPC474839
0.84 Intermediate Similarity NPC160499
0.84 Intermediate Similarity NPC328983
0.8397 Intermediate Similarity NPC240593
0.8397 Intermediate Similarity NPC473391
0.8397 Intermediate Similarity NPC13408
0.8397 Intermediate Similarity NPC472367
0.8397 Intermediate Similarity NPC472364
0.8397 Intermediate Similarity NPC476333
0.8387 Intermediate Similarity NPC173978
0.8385 Intermediate Similarity NPC161632
0.8374 Intermediate Similarity NPC283514
0.8372 Intermediate Similarity NPC128216
0.8372 Intermediate Similarity NPC267205
0.8362 Intermediate Similarity NPC116842
0.8361 Intermediate Similarity NPC292665

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC195262 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
0.8595 High Similarity NPD1201 Approved
0.8583 High Similarity NPD943 Approved
0.8583 High Similarity NPD1240 Approved
0.845 Intermediate Similarity NPD1607 Approved
0.8348 Intermediate Similarity NPD9266 Approved
0.8348 Intermediate Similarity NPD74 Approved
0.8321 Intermediate Similarity NPD1510 Phase 2
0.832 Intermediate Similarity NPD1470 Approved
0.8261 Intermediate Similarity NPD9264 Approved
0.8261 Intermediate Similarity NPD9263 Approved
0.8261 Intermediate Similarity NPD9267 Approved
0.8195 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8195 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8175 Intermediate Similarity NPD1164 Approved
0.8134 Intermediate Similarity NPD1549 Phase 2
0.8099 Intermediate Similarity NPD9493 Approved
0.8099 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.8043 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7982 Intermediate Similarity NPD940 Approved
0.7982 Intermediate Similarity NPD846 Approved
0.7971 Intermediate Similarity NPD7390 Discontinued
0.7914 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7913 Intermediate Similarity NPD9261 Approved
0.7891 Intermediate Similarity NPD1203 Approved
0.7852 Intermediate Similarity NPD5408 Approved
0.7852 Intermediate Similarity NPD1551 Phase 2
0.7852 Intermediate Similarity NPD5405 Approved
0.7852 Intermediate Similarity NPD2796 Approved
0.7852 Intermediate Similarity NPD5404 Approved
0.7852 Intermediate Similarity NPD5406 Approved
0.7829 Intermediate Similarity NPD2798 Approved
0.7787 Intermediate Similarity NPD9281 Approved
0.7778 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7762 Intermediate Similarity NPD4380 Phase 2
0.7754 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7754 Intermediate Similarity NPD3750 Approved
0.7721 Intermediate Similarity NPD2935 Discontinued
0.7714 Intermediate Similarity NPD1511 Approved
0.7667 Intermediate Similarity NPD4750 Phase 3
0.7647 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD1512 Approved
0.7603 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD6799 Approved
0.7586 Intermediate Similarity NPD7411 Suspended
0.7586 Intermediate Similarity NPD1242 Phase 1
0.7578 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD5403 Approved
0.7551 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD2859 Approved
0.7544 Intermediate Similarity NPD2860 Approved
0.7542 Intermediate Similarity NPD1237 Approved
0.7534 Intermediate Similarity NPD1934 Approved
0.7519 Intermediate Similarity NPD9717 Approved
0.75 Intermediate Similarity NPD6651 Approved
0.7483 Intermediate Similarity NPD2801 Approved
0.7482 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7481 Intermediate Similarity NPD2797 Approved
0.7463 Intermediate Similarity NPD2313 Discontinued
0.7456 Intermediate Similarity NPD2934 Approved
0.7456 Intermediate Similarity NPD2933 Approved
0.745 Intermediate Similarity NPD7075 Discontinued
0.745 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD6832 Phase 2
0.7413 Intermediate Similarity NPD5401 Approved
0.741 Intermediate Similarity NPD2344 Approved
0.7397 Intermediate Similarity NPD6599 Discontinued
0.7391 Intermediate Similarity NPD2799 Discontinued
0.7391 Intermediate Similarity NPD3748 Approved
0.7383 Intermediate Similarity NPD3882 Suspended
0.7383 Intermediate Similarity NPD7768 Phase 2
0.7365 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD7819 Suspended
0.735 Intermediate Similarity NPD3020 Approved
0.7333 Intermediate Similarity NPD3268 Approved
0.7333 Intermediate Similarity NPD3749 Approved
0.7333 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD3764 Approved
0.7305 Intermediate Similarity NPD2800 Approved
0.7297 Intermediate Similarity NPD6801 Discontinued
0.7279 Intermediate Similarity NPD520 Approved
0.7273 Intermediate Similarity NPD3300 Phase 2
0.7266 Intermediate Similarity NPD9545 Approved
0.7252 Intermediate Similarity NPD9269 Phase 2
0.7214 Intermediate Similarity NPD6099 Approved
0.7214 Intermediate Similarity NPD6100 Approved
0.7209 Intermediate Similarity NPD9268 Approved
0.7203 Intermediate Similarity NPD2309 Approved
0.72 Intermediate Similarity NPD5402 Approved
0.7183 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD1243 Approved
0.7176 Intermediate Similarity NPD422 Phase 1
0.7161 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD6166 Phase 2
0.7154 Intermediate Similarity NPD3019 Approved
0.7154 Intermediate Similarity NPD2932 Approved
0.7143 Intermediate Similarity NPD4308 Phase 3
0.7143 Intermediate Similarity NPD6232 Discontinued
0.7132 Intermediate Similarity NPD1759 Phase 1
0.7132 Intermediate Similarity NPD1548 Phase 1
0.7121 Intermediate Similarity NPD3972 Approved
0.7115 Intermediate Similarity NPD7473 Discontinued
0.7094 Intermediate Similarity NPD844 Approved
0.7086 Intermediate Similarity NPD3817 Phase 2
0.7078 Intermediate Similarity NPD6959 Discontinued
0.707 Intermediate Similarity NPD3818 Discontinued
0.7069 Intermediate Similarity NPD845 Approved
0.7063 Intermediate Similarity NPD2654 Approved
0.7055 Intermediate Similarity NPD2532 Approved
0.7055 Intermediate Similarity NPD2534 Approved
0.7055 Intermediate Similarity NPD2533 Approved
0.7055 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD1758 Phase 1
0.7045 Intermediate Similarity NPD1610 Phase 2
0.7042 Intermediate Similarity NPD2346 Discontinued
0.7034 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD1930 Approved
0.7025 Intermediate Similarity NPD1929 Approved
0.7025 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD3225 Approved
0.7014 Intermediate Similarity NPD1196 Approved
0.7014 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.6986 Remote Similarity NPD1543 Discontinued
0.6981 Remote Similarity NPD7074 Phase 3
0.698 Remote Similarity NPD3226 Approved
0.6963 Remote Similarity NPD3267 Approved
0.6963 Remote Similarity NPD3266 Approved
0.6957 Remote Similarity NPD9256 Approved
0.6957 Remote Similarity NPD411 Approved
0.6957 Remote Similarity NPD9258 Approved
0.6953 Remote Similarity NPD5951 Approved
0.6944 Remote Similarity NPD1195 Approved
0.6939 Remote Similarity NPD642 Clinical (unspecified phase)
0.6937 Remote Similarity NPD5953 Discontinued
0.6934 Remote Similarity NPD4908 Phase 1
0.6929 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6929 Remote Similarity NPD447 Suspended
0.6929 Remote Similarity NPD230 Phase 1
0.6929 Remote Similarity NPD1933 Approved
0.6928 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1202 Approved
0.6918 Remote Similarity NPD6020 Phase 2
0.6918 Remote Similarity NPD7286 Phase 2
0.6918 Remote Similarity NPD7054 Approved
0.6917 Remote Similarity NPD2066 Phase 3
0.6901 Remote Similarity NPD7033 Discontinued
0.6897 Remote Similarity NPD3400 Discontinued
0.6894 Remote Similarity NPD6559 Discontinued
0.6891 Remote Similarity NPD288 Approved
0.6889 Remote Similarity NPD1876 Approved
0.6884 Remote Similarity NPD4625 Phase 3
0.6875 Remote Similarity NPD7472 Approved
0.6866 Remote Similarity NPD1608 Approved
0.6866 Remote Similarity NPD4878 Approved
0.6864 Remote Similarity NPD1432 Clinical (unspecified phase)
0.686 Remote Similarity NPD289 Clinical (unspecified phase)
0.6857 Remote Similarity NPD4307 Phase 2
0.6852 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6847 Remote Similarity NPD9089 Approved
0.6846 Remote Similarity NPD920 Approved
0.6835 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6835 Remote Similarity NPD1296 Phase 2
0.6832 Remote Similarity NPD6797 Phase 2
0.6825 Remote Similarity NPD3022 Approved
0.6825 Remote Similarity NPD3021 Approved
0.6824 Remote Similarity NPD4662 Approved
0.6824 Remote Similarity NPD4661 Approved
0.6822 Remote Similarity NPD1476 Clinical (unspecified phase)
0.6815 Remote Similarity NPD4749 Approved
0.6815 Remote Similarity NPD1755 Approved
0.6807 Remote Similarity NPD1809 Phase 2
0.6803 Remote Similarity NPD1932 Approved
0.68 Remote Similarity NPD2342 Discontinued
0.6797 Remote Similarity NPD7635 Approved
0.6795 Remote Similarity NPD5494 Approved
0.679 Remote Similarity NPD7251 Discontinued
0.6788 Remote Similarity NPD1019 Discontinued
0.6788 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6781 Remote Similarity NPD4628 Phase 3
0.6781 Remote Similarity NPD7003 Approved
0.6774 Remote Similarity NPD5048 Discontinued
0.6769 Remote Similarity NPD255 Approved
0.6769 Remote Similarity NPD256 Approved
0.6757 Remote Similarity NPD9093 Approved
0.6753 Remote Similarity NPD4288 Approved
0.6748 Remote Similarity NPD7808 Phase 3
0.6748 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6744 Remote Similarity NPD1241 Discontinued
0.6741 Remote Similarity NPD1481 Phase 2
0.6733 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6713 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6713 Remote Similarity NPD9279 Approved
0.6694 Remote Similarity NPD5909 Discontinued
0.6694 Remote Similarity NPD9273 Approved

Structure

External Identifiers

PubChem CID   197625
ChEMBL   CHEMBL456303
ZINC  

Physicochemical Properties

Molecular Weight:  270.13
ALogP:  -1.6632
MLogP:  3
XLogP:  6.097
# Rotatable Bonds:  8
Polar Surface Area:  57.53
# H-Bond Aceptor:  1
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  20

Download Data

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Structure MOL file  
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Biological Activities  
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