Natural Product: NPC470393

Natural Product ID:  NPC470393
Common Name:   2-(4-Geranyloxyphenyl)-1-Ethanol
IUPAC Name:   2-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]ethanol
Synonyms:  
Molecular Formula:   C18H26O2
Standard InCHIKey:  HUEGMMWEUQMMTG-FOWTUZBSSA-N
Standard InCHI:  InChI=1S/C18H26O2/c1-15(2)5-4-6-16(3)12-14-20-18-9-7-17(8-10-18)11-13-19/h5,7-10,12,19H,4,6,11,13-14H2,1-3H3/b16-12+
Canonical SMILES:  OCCc1ccc(cc1)OC/C=C(/CCC=C(C)C)C
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
NPO8212 Ligularia nelumbifolia Species Asteraceae Eukaryota PMID[22472691]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens FC = 4.432 10.6019/CHEMBL1201861
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens FC = 2.181 11087594
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens FC = 1.735 16562837
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens FC = 1.315 17043131
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens FC = 1.428 12502336
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens FC = 7.619 24273638
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens FC = 0.865 24533857

  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 NPC470393 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
0.9897 High Similarity NPC108875
0.9897 High Similarity NPC38079
0.9592 High Similarity NPC192596
0.949 High Similarity NPC51633
0.9485 High Similarity NPC100870
0.9208 High Similarity NPC8302
0.9091 High Similarity NPC471576
0.9038 High Similarity NPC474272
0.902 High Similarity NPC473855
0.901 High Similarity NPC305205
0.8952 High Similarity NPC46844
0.8932 High Similarity NPC113457
0.8866 High Similarity NPC321956
0.8846 High Similarity NPC194034
0.8846 High Similarity NPC251306
0.8796 High Similarity NPC235250
0.8785 High Similarity NPC165646
0.8774 High Similarity NPC137685
0.8763 High Similarity NPC71853
0.8692 High Similarity NPC55300
0.8687 High Similarity NPC471581
0.8667 High Similarity NPC151530
0.8667 High Similarity NPC157473
0.866 High Similarity NPC259134
0.866 High Similarity NPC99886
0.866 High Similarity NPC177844
0.866 High Similarity NPC8002
0.8624 High Similarity NPC161696
0.8614 High Similarity NPC95755
0.8611 High Similarity NPC115379
0.8585 High Similarity NPC201959
0.8585 High Similarity NPC75440
0.8571 High Similarity NPC135464
0.8571 High Similarity NPC92623
0.8571 High Similarity NPC176971
0.8558 High Similarity NPC283546
0.8544 High Similarity NPC307425
0.8532 High Similarity NPC301735
0.8519 High Similarity NPC266932
0.8491 Intermediate Similarity NPC258171
0.8476 Intermediate Similarity NPC233396
0.8476 Intermediate Similarity NPC473393
0.8476 Intermediate Similarity NPC128730
0.8476 Intermediate Similarity NPC154899
0.8447 Intermediate Similarity NPC107101
0.8435 Intermediate Similarity NPC71090
0.8431 Intermediate Similarity NPC470161
0.8426 Intermediate Similarity NPC88868
0.8426 Intermediate Similarity NPC25067
0.8426 Intermediate Similarity NPC231251
0.8411 Intermediate Similarity NPC291837
0.8407 Intermediate Similarity NPC163036
0.84 Intermediate Similarity NPC138117
0.84 Intermediate Similarity NPC325292
0.8396 Intermediate Similarity NPC326447
0.8396 Intermediate Similarity NPC326801
0.8393 Intermediate Similarity NPC164386
0.8384 Intermediate Similarity NPC300017
0.8381 Intermediate Similarity NPC12987
0.8381 Intermediate Similarity NPC474603
0.8378 Intermediate Similarity NPC51345
0.8365 Intermediate Similarity NPC300166
0.8364 Intermediate Similarity NPC141003
0.8364 Intermediate Similarity NPC35344
0.8348 Intermediate Similarity NPC127389
0.8348 Intermediate Similarity NPC290451
0.8333 Intermediate Similarity NPC234639
0.8319 Intermediate Similarity NPC474214
0.8319 Intermediate Similarity NPC474040
0.8319 Intermediate Similarity NPC283616
0.8318 Intermediate Similarity NPC233320
0.8318 Intermediate Similarity NPC227894
0.8302 Intermediate Similarity NPC238115
0.8291 Intermediate Similarity NPC114901
0.8291 Intermediate Similarity NPC94276
0.8291 Intermediate Similarity NPC48990
0.8291 Intermediate Similarity NPC109822
0.8291 Intermediate Similarity NPC293701
0.8286 Intermediate Similarity NPC179686
0.8286 Intermediate Similarity NPC298224
0.8283 Intermediate Similarity NPC177420
0.8283 Intermediate Similarity NPC280347
0.8276 Intermediate Similarity NPC36016
0.8276 Intermediate Similarity NPC150026
0.8276 Intermediate Similarity NPC100099
0.8273 Intermediate Similarity NPC474920
0.8269 Intermediate Similarity NPC13755
0.8261 Intermediate Similarity NPC469412
0.8261 Intermediate Similarity NPC198734
0.8252 Intermediate Similarity NPC175298
0.8246 Intermediate Similarity NPC295259
0.8246 Intermediate Similarity NPC32152
0.8246 Intermediate Similarity NPC24474
0.8246 Intermediate Similarity NPC311595
0.8246 Intermediate Similarity NPC474320
0.8241 Intermediate Similarity NPC241549
0.8235 Intermediate Similarity NPC313650
0.823 Intermediate Similarity NPC142042
0.823 Intermediate Similarity NPC86947
0.8224 Intermediate Similarity NPC473653
0.822 Intermediate Similarity NPC194519
0.822 Intermediate Similarity NPC81641
0.8214 Intermediate Similarity NPC185541
0.8214 Intermediate Similarity NPC296526
0.8214 Intermediate Similarity NPC464
0.8208 Intermediate Similarity NPC38209
0.8208 Intermediate Similarity NPC2518
0.8208 Intermediate Similarity NPC292792
0.8205 Intermediate Similarity NPC76465
0.8205 Intermediate Similarity NPC38761
0.82 Intermediate Similarity NPC55561
0.82 Intermediate Similarity NPC318429
0.8198 Intermediate Similarity NPC26524
0.819 Intermediate Similarity NPC54972
0.8182 Intermediate Similarity NPC25493
0.8182 Intermediate Similarity NPC173746
0.8182 Intermediate Similarity NPC257124
0.8182 Intermediate Similarity NPC8547
0.8182 Intermediate Similarity NPC166837
0.8182 Intermediate Similarity NPC156840
0.8182 Intermediate Similarity NPC78918
0.8182 Intermediate Similarity NPC113460
0.8182 Intermediate Similarity NPC104216
0.8182 Intermediate Similarity NPC139617
0.8174 Intermediate Similarity NPC469708
0.8174 Intermediate Similarity NPC474131
0.8174 Intermediate Similarity NPC232295
0.8174 Intermediate Similarity NPC193193
0.8174 Intermediate Similarity NPC60589
0.8174 Intermediate Similarity NPC263835
0.8173 Intermediate Similarity NPC51333
0.8173 Intermediate Similarity NPC132078
0.8173 Intermediate Similarity NPC78119
0.8173 Intermediate Similarity NPC171843
0.8173 Intermediate Similarity NPC216468
0.8173 Intermediate Similarity NPC128723
0.8165 Intermediate Similarity NPC259554
0.8165 Intermediate Similarity NPC306045
0.8165 Intermediate Similarity NPC265211
0.8158 Intermediate Similarity NPC101503
0.8158 Intermediate Similarity NPC74821
0.8158 Intermediate Similarity NPC293424
0.8151 Intermediate Similarity NPC58607
0.8151 Intermediate Similarity NPC191037
0.8151 Intermediate Similarity NPC178284
0.8151 Intermediate Similarity NPC474476
0.8151 Intermediate Similarity NPC276212
0.8142 Intermediate Similarity NPC154256
0.8142 Intermediate Similarity NPC229147
0.8142 Intermediate Similarity NPC19290
0.8142 Intermediate Similarity NPC290470
0.8142 Intermediate Similarity NPC221049
0.8142 Intermediate Similarity NPC85292
0.8142 Intermediate Similarity NPC54507
0.8136 Intermediate Similarity NPC106914
0.8136 Intermediate Similarity NPC246648
0.8136 Intermediate Similarity NPC197351
0.8136 Intermediate Similarity NPC86502
0.8136 Intermediate Similarity NPC134195
0.812 Intermediate Similarity NPC476142
0.812 Intermediate Similarity NPC188997
0.8108 Intermediate Similarity NPC42911
0.8108 Intermediate Similarity NPC199462
0.8108 Intermediate Similarity NPC153795
0.8108 Intermediate Similarity NPC290353
0.8103 Intermediate Similarity NPC199023
0.8103 Intermediate Similarity NPC269242
0.8103 Intermediate Similarity NPC207613
0.81 Intermediate Similarity NPC123273
0.81 Intermediate Similarity NPC242240
0.81 Intermediate Similarity NPC318325
0.8095 Intermediate Similarity NPC213730
0.8091 Intermediate Similarity NPC475852
0.8091 Intermediate Similarity NPC473809
0.8091 Intermediate Similarity NPC106141
0.8087 Intermediate Similarity NPC172253
0.8087 Intermediate Similarity NPC256369
0.8087 Intermediate Similarity NPC135961
0.8087 Intermediate Similarity NPC59561
0.8083 Intermediate Similarity NPC118787
0.8083 Intermediate Similarity NPC41706
0.8083 Intermediate Similarity NPC147821
0.8083 Intermediate Similarity NPC474119
0.8083 Intermediate Similarity NPC163332
0.8083 Intermediate Similarity NPC292056
0.8083 Intermediate Similarity NPC319625
0.8083 Intermediate Similarity NPC183181
0.8083 Intermediate Similarity NPC111247
0.8081 Intermediate Similarity NPC23167
0.8073 Intermediate Similarity NPC146530
0.807 Intermediate Similarity NPC474933
0.807 Intermediate Similarity NPC183154
0.807 Intermediate Similarity NPC263754
0.8067 Intermediate Similarity NPC103420
0.8067 Intermediate Similarity NPC102540
0.8067 Intermediate Similarity NPC188022
0.8067 Intermediate Similarity NPC285040
0.8067 Intermediate Similarity NPC17809
0.8058 Intermediate Similarity NPC26244
0.8056 Intermediate Similarity NPC1065

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470393 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
0.9505 High Similarity NPD2684 Approved
0.9143 High Similarity NPD7843 Approved
0.8962 High Similarity NPD821 Approved
0.8889 High Similarity NPD7157 Approved
0.8846 High Similarity NPD290 Approved
0.8571 High Similarity NPD968 Approved
0.8396 Intermediate Similarity NPD3134 Approved
0.8362 Intermediate Similarity NPD3685 Discontinued
0.8333 Intermediate Similarity NPD5846 Approved
0.8333 Intermediate Similarity NPD6516 Phase 2
0.8273 Intermediate Similarity NPD5535 Approved
0.8214 Intermediate Similarity NPD6671 Approved
0.8205 Intermediate Similarity NPD6582 Phase 2
0.8205 Intermediate Similarity NPD6583 Phase 3
0.82 Intermediate Similarity NPD9365 Approved
0.8198 Intermediate Similarity NPD1241 Discontinued
0.8182 Intermediate Similarity NPD228 Approved
0.8165 Intermediate Similarity NPD5451 Approved
0.8158 Intermediate Similarity NPD1894 Discontinued
0.8158 Intermediate Similarity NPD1548 Phase 1
0.8151 Intermediate Similarity NPD3691 Phase 2
0.8151 Intermediate Similarity NPD3690 Phase 2
0.8148 Intermediate Similarity NPD1358 Approved
0.8142 Intermediate Similarity NPD3596 Phase 2
0.8137 Intermediate Similarity NPD2933 Approved
0.8137 Intermediate Similarity NPD2934 Approved
0.8058 Intermediate Similarity NPD2859 Approved
0.8058 Intermediate Similarity NPD2860 Approved
0.8 Intermediate Similarity NPD6584 Phase 3
0.8 Intermediate Similarity NPD6581 Approved
0.8 Intermediate Similarity NPD6580 Approved
0.7966 Intermediate Similarity NPD2235 Phase 2
0.7966 Intermediate Similarity NPD2231 Phase 2
0.7949 Intermediate Similarity NPD3496 Discontinued
0.7931 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD1819 Approved
0.7917 Intermediate Similarity NPD1818 Approved
0.7917 Intermediate Similarity NPD1820 Approved
0.7917 Intermediate Similarity NPD1817 Approved
0.7895 Intermediate Similarity NPD2557 Approved
0.7881 Intermediate Similarity NPD1610 Phase 2
0.7876 Intermediate Similarity NPD5283 Phase 1
0.7869 Intermediate Similarity NPD4908 Phase 1
0.7863 Intermediate Similarity NPD2668 Approved
0.7863 Intermediate Similarity NPD1778 Approved
0.7863 Intermediate Similarity NPD2667 Approved
0.785 Intermediate Similarity NPD291 Approved
0.7833 Intermediate Similarity NPD8651 Approved
0.783 Intermediate Similarity NPD3020 Approved
0.7805 Intermediate Similarity NPD3164 Approved
0.7805 Intermediate Similarity NPD3165 Approved
0.7805 Intermediate Similarity NPD3166 Approved
0.7805 Intermediate Similarity NPD3167 Approved
0.7805 Intermediate Similarity NPD5163 Phase 2
0.7797 Intermediate Similarity NPD3847 Discontinued
0.7788 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7787 Intermediate Similarity NPD2861 Phase 2
0.7778 Intermediate Similarity NPD1357 Approved
0.7778 Intermediate Similarity NPD111 Approved
0.7778 Intermediate Similarity NPD5691 Approved
0.776 Intermediate Similarity NPD4140 Approved
0.775 Intermediate Similarity NPD5327 Phase 3
0.7742 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD6798 Discontinued
0.7742 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7731 Intermediate Similarity NPD1091 Approved
0.7731 Intermediate Similarity NPD422 Phase 1
0.7712 Intermediate Similarity NPD4626 Approved
0.7698 Intermediate Similarity NPD5735 Approved
0.7692 Intermediate Similarity NPD1182 Approved
0.768 Intermediate Similarity NPD3058 Clinical (unspecified phase)
0.768 Intermediate Similarity NPD4062 Phase 3
0.768 Intermediate Similarity NPD6233 Phase 2
0.768 Intermediate Similarity NPD1423 Approved
0.7661 Intermediate Similarity NPD3179 Approved
0.7661 Intermediate Similarity NPD6179 Discontinued
0.7661 Intermediate Similarity NPD3180 Approved
0.7647 Intermediate Similarity NPD9295 Approved
0.7638 Intermediate Similarity NPD3054 Approved
0.7638 Intermediate Similarity NPD3052 Approved
0.7636 Intermediate Similarity NPD9697 Approved
0.7627 Intermediate Similarity NPD5585 Approved
0.7627 Intermediate Similarity NPD3443 Approved
0.7627 Intermediate Similarity NPD3444 Approved
0.7627 Intermediate Similarity NPD3445 Approved
0.7627 Intermediate Similarity NPD3049 Approved
0.7623 Intermediate Similarity NPD1794 Approved
0.7623 Intermediate Similarity NPD6362 Approved
0.7619 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD4060 Phase 1
0.7603 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7603 Intermediate Similarity NPD6539 Approved
0.7603 Intermediate Similarity NPD2429 Approved
0.7603 Intermediate Similarity NPD6542 Approved
0.7603 Intermediate Similarity NPD6540 Phase 3
0.7603 Intermediate Similarity NPD2428 Approved
0.7603 Intermediate Similarity NPD6543 Approved
0.7603 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD3056 Clinical (unspecified phase)
0.7583 Intermediate Similarity NPD1535 Discovery
0.7578 Intermediate Similarity NPD4538 Approved
0.7578 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD4536 Approved
0.7565 Intermediate Similarity NPD594 Approved
0.7565 Intermediate Similarity NPD592 Approved
0.7563 Intermediate Similarity NPD2556 Approved
0.7563 Intermediate Similarity NPD2554 Approved
0.7561 Intermediate Similarity NPD558 Phase 2
0.7559 Intermediate Similarity NPD6355 Discontinued
0.7541 Intermediate Similarity NPD6541 Approved
0.7541 Intermediate Similarity NPD6538 Approved
0.754 Intermediate Similarity NPD5745 Approved
0.7523 Intermediate Similarity NPD846 Approved
0.7523 Intermediate Similarity NPD940 Approved
0.7521 Intermediate Similarity NPD1840 Phase 2
0.7521 Intermediate Similarity NPD1481 Phase 2
0.752 Intermediate Similarity NPD7095 Approved
0.752 Intermediate Similarity NPD3027 Phase 3
0.75 Intermediate Similarity NPD6353 Approved
0.75 Intermediate Similarity NPD454 Approved
0.75 Intermediate Similarity NPD2157 Approved
0.75 Intermediate Similarity NPD1712 Approved
0.75 Intermediate Similarity NPD4993 Discontinued
0.748 Intermediate Similarity NPD987 Approved
0.748 Intermediate Similarity NPD2797 Approved
0.7479 Intermediate Similarity NPD6382 Discontinued
0.7478 Intermediate Similarity NPD1138 Approved
0.746 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD4749 Approved
0.7442 Intermediate Similarity NPD7097 Phase 1
0.744 Intermediate Similarity NPD2614 Approved
0.744 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD3705 Approved
0.7431 Intermediate Similarity NPD3028 Approved
0.7419 Intermediate Similarity NPD4624 Approved
0.7419 Intermediate Similarity NPD7018 Phase 2
0.7419 Intermediate Similarity NPD5647 Approved
0.7402 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7402 Intermediate Similarity NPD3162 Approved
0.7402 Intermediate Similarity NPD3163 Approved
0.7402 Intermediate Similarity NPD7477 Discontinued
0.7402 Intermediate Similarity NPD7265 Discontinued
0.7398 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.7395 Intermediate Similarity NPD2486 Discontinued
0.7391 Intermediate Similarity NPD1137 Approved
0.7391 Intermediate Similarity NPD1139 Approved
0.7387 Intermediate Similarity NPD9501 Approved
0.7385 Intermediate Similarity NPD5588 Approved
0.7385 Intermediate Similarity NPD5960 Phase 3
0.7383 Intermediate Similarity NPD1809 Phase 2
0.7383 Intermediate Similarity NPD844 Approved
0.7381 Intermediate Similarity NPD5746 Approved
0.7377 Intermediate Similarity NPD1608 Approved
0.7377 Intermediate Similarity NPD2230 Approved
0.7377 Intermediate Similarity NPD2232 Approved
0.7377 Intermediate Similarity NPD2233 Approved
0.7364 Intermediate Similarity NPD6653 Approved
0.7358 Intermediate Similarity NPD845 Approved
0.7348 Intermediate Similarity NPD2424 Discontinued
0.7345 Intermediate Similarity NPD5374 Approved
0.7345 Intermediate Similarity NPD9552 Approved
0.7345 Intermediate Similarity NPD5373 Approved
0.7344 Intermediate Similarity NPD1613 Approved
0.7344 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD3597 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD4098 Discontinued
0.7339 Intermediate Similarity NPD1770 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD2595 Approved
0.7333 Intermediate Similarity NPD2594 Approved
0.7333 Intermediate Similarity NPD1651 Approved
0.7328 Intermediate Similarity NPD2161 Phase 2
0.7328 Intermediate Similarity NPD4476 Approved
0.7328 Intermediate Similarity NPD2239 Approved
0.7328 Intermediate Similarity NPD4477 Approved
0.7328 Intermediate Similarity NPD2240 Approved
0.7323 Intermediate Similarity NPD3374 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD4129 Approved
0.7317 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD4359 Approved
0.7317 Intermediate Similarity NPD1669 Approved
0.7311 Intermediate Similarity NPD5536 Phase 2
0.7293 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD9296 Approved
0.7288 Intermediate Similarity NPD709 Approved
0.7287 Intermediate Similarity NPD4340 Discontinued
0.7287 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD5124 Phase 1
0.728 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD2423 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD2107 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD1283 Approved
0.7258 Intermediate Similarity NPD6696 Suspended
0.7252 Intermediate Similarity NPD7033 Discontinued
0.7252 Intermediate Similarity NPD3846 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD9545 Approved
0.7244 Intermediate Similarity NPD4625 Phase 3
0.7239 Intermediate Similarity NPD4628 Phase 3
0.7239 Intermediate Similarity NPD4535 Phase 3
0.7236 Intermediate Similarity NPD9717 Approved
0.7236 Intermediate Similarity NPD3972 Approved

Structure

External Identifiers

PubChem CID   70687713
ChEMBL   CHEMBL2022668
ZINC  

Physicochemical Properties

Molecular Weight:  274.19
ALogP:  2.4528
MLogP:  3.22
XLogP:  4.713
# Rotatable Bonds:  12
Polar Surface Area:  29.46
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  20

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Biological Activities  
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