Natural Product: NPC76844

Natural Product ID:  NPC76844
Common Name:   Plakorsin B
IUPAC Name:   2-(5-hexadecylfuran-2-yl)acetic acid
Synonyms:  
Molecular Formula:   C22H38O3
Standard InCHIKey:  MYKNDMTYMCTYAG-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(25-20)19-22(23)24/h17-18H,2-16,19H2,1H3,(H,23,24)
Canonical SMILES:  CCCCCCCCCCCCCCCCc1ccc(o1)CC(=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
NPO26409 Plakortis simplex Species Plakinidae Eukaryota Taiwan PMID[11277748]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 3.43 ug/ml 22620677
NPT2 Others Unspecified IC50 = 0.28 ug/ml 22037378

  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 NPC76844 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
0.9907 High Similarity NPC11821
0.8957 High Similarity NPC254958
0.8957 High Similarity NPC291619
0.8783 High Similarity NPC476014
0.8783 High Similarity NPC476031
0.8621 High Similarity NPC474987
0.8393 Intermediate Similarity NPC42471
0.8319 Intermediate Similarity NPC187547
0.8319 Intermediate Similarity NPC21831
0.8291 Intermediate Similarity NPC292036
0.8217 Intermediate Similarity NPC159786
0.8083 Intermediate Similarity NPC144745
0.8083 Intermediate Similarity NPC208906
0.8065 Intermediate Similarity NPC118853
0.8056 Intermediate Similarity NPC233791
0.8049 Intermediate Similarity NPC270807
0.8049 Intermediate Similarity NPC174915
0.8047 Intermediate Similarity NPC136340
0.7951 Intermediate Similarity NPC244862
0.7951 Intermediate Similarity NPC67345
0.7946 Intermediate Similarity NPC156768
0.7934 Intermediate Similarity NPC312525
0.7934 Intermediate Similarity NPC217180
0.7917 Intermediate Similarity NPC205523
0.7913 Intermediate Similarity NPC298087
0.7903 Intermediate Similarity NPC323118
0.7863 Intermediate Similarity NPC106247
0.7851 Intermediate Similarity NPC328451
0.784 Intermediate Similarity NPC311219
0.7836 Intermediate Similarity NPC107571
0.782 Intermediate Similarity NPC473268
0.7805 Intermediate Similarity NPC473969
0.7795 Intermediate Similarity NPC329694
0.7795 Intermediate Similarity NPC474260
0.7795 Intermediate Similarity NPC329922
0.7795 Intermediate Similarity NPC81912
0.7787 Intermediate Similarity NPC227660
0.776 Intermediate Similarity NPC272487
0.7737 Intermediate Similarity NPC254198
0.7734 Intermediate Similarity NPC474830
0.7717 Intermediate Similarity NPC71274
0.7717 Intermediate Similarity NPC474829
0.7717 Intermediate Similarity NPC75557
0.771 Intermediate Similarity NPC473982
0.7698 Intermediate Similarity NPC476351
0.7698 Intermediate Similarity NPC104924
0.7687 Intermediate Similarity NPC170604
0.7687 Intermediate Similarity NPC215109
0.768 Intermediate Similarity NPC1848
0.768 Intermediate Similarity NPC79557
0.7674 Intermediate Similarity NPC474279
0.7674 Intermediate Similarity NPC474438
0.7667 Intermediate Similarity NPC26157
0.7667 Intermediate Similarity NPC1811
0.7656 Intermediate Similarity NPC216810
0.7652 Intermediate Similarity NPC474407
0.7652 Intermediate Similarity NPC474426
0.7652 Intermediate Similarity NPC474425
0.7642 Intermediate Similarity NPC131801
0.7638 Intermediate Similarity NPC243269
0.7619 Intermediate Similarity NPC263870
0.7612 Intermediate Similarity NPC303217
0.76 Intermediate Similarity NPC230951
0.76 Intermediate Similarity NPC474874
0.76 Intermediate Similarity NPC470092
0.7597 Intermediate Similarity NPC476016
0.7589 Intermediate Similarity NPC146316
0.7583 Intermediate Similarity NPC105249
0.7578 Intermediate Similarity NPC221798
0.7576 Intermediate Similarity NPC15083
0.7574 Intermediate Similarity NPC202260
0.7574 Intermediate Similarity NPC474615
0.7561 Intermediate Similarity NPC470860
0.7561 Intermediate Similarity NPC45536
0.7559 Intermediate Similarity NPC475818
0.7557 Intermediate Similarity NPC238309
0.754 Intermediate Similarity NPC474136
0.752 Intermediate Similarity NPC244293
0.7518 Intermediate Similarity NPC282973
0.7518 Intermediate Similarity NPC148374
0.7518 Intermediate Similarity NPC308799
0.75 Intermediate Similarity NPC65735
0.75 Intermediate Similarity NPC229387
0.75 Intermediate Similarity NPC183348
0.75 Intermediate Similarity NPC217423
0.75 Intermediate Similarity NPC282230
0.75 Intermediate Similarity NPC188377
0.75 Intermediate Similarity NPC475092
0.75 Intermediate Similarity NPC472376
0.748 Intermediate Similarity NPC289911
0.748 Intermediate Similarity NPC188907
0.748 Intermediate Similarity NPC283284
0.748 Intermediate Similarity NPC28054
0.7479 Intermediate Similarity NPC471521
0.7479 Intermediate Similarity NPC473356
0.7465 Intermediate Similarity NPC113428
0.7465 Intermediate Similarity NPC61284
0.7463 Intermediate Similarity NPC477536
0.7462 Intermediate Similarity NPC473355
0.7462 Intermediate Similarity NPC471573
0.7462 Intermediate Similarity NPC471501
0.7462 Intermediate Similarity NPC471554
0.746 Intermediate Similarity NPC474817
0.7459 Intermediate Similarity NPC311987
0.7444 Intermediate Similarity NPC196979
0.7444 Intermediate Similarity NPC470977
0.7444 Intermediate Similarity NPC470976
0.7444 Intermediate Similarity NPC324488
0.7442 Intermediate Similarity NPC193805
0.7442 Intermediate Similarity NPC471559
0.744 Intermediate Similarity NPC293424
0.7424 Intermediate Similarity NPC66246
0.7424 Intermediate Similarity NPC187907
0.7424 Intermediate Similarity NPC170546
0.7424 Intermediate Similarity NPC473019
0.7422 Intermediate Similarity NPC69403
0.7422 Intermediate Similarity NPC291189
0.7417 Intermediate Similarity NPC177331
0.7395 Intermediate Similarity NPC219969
0.7388 Intermediate Similarity NPC470740
0.7385 Intermediate Similarity NPC4164
0.7385 Intermediate Similarity NPC138139
0.7385 Intermediate Similarity NPC46536
0.7381 Intermediate Similarity NPC54243
0.7381 Intermediate Similarity NPC264976
0.7381 Intermediate Similarity NPC4898
0.7381 Intermediate Similarity NPC328459
0.7381 Intermediate Similarity NPC90522
0.7377 Intermediate Similarity NPC22678
0.7372 Intermediate Similarity NPC477534
0.7368 Intermediate Similarity NPC477645
0.7368 Intermediate Similarity NPC17681
0.7364 Intermediate Similarity NPC93730
0.736 Intermediate Similarity NPC240664
0.7357 Intermediate Similarity NPC22248
0.7353 Intermediate Similarity NPC204592
0.7344 Intermediate Similarity NPC473379
0.7344 Intermediate Similarity NPC471549
0.7344 Intermediate Similarity NPC477967
0.7339 Intermediate Similarity NPC51345
0.7333 Intermediate Similarity NPC287533
0.7328 Intermediate Similarity NPC474476
0.7328 Intermediate Similarity NPC83178
0.7328 Intermediate Similarity NPC319140
0.7328 Intermediate Similarity NPC95567
0.7328 Intermediate Similarity NPC184391
0.7323 Intermediate Similarity NPC72977
0.7323 Intermediate Similarity NPC246214
0.7313 Intermediate Similarity NPC45358
0.7313 Intermediate Similarity NPC97740
0.7308 Intermediate Similarity NPC473885
0.7308 Intermediate Similarity NPC470162
0.7308 Intermediate Similarity NPC470163
0.7308 Intermediate Similarity NPC471074
0.7302 Intermediate Similarity NPC206007
0.7302 Intermediate Similarity NPC94637
0.7302 Intermediate Similarity NPC243704
0.7302 Intermediate Similarity NPC32298
0.7299 Intermediate Similarity NPC307401
0.7299 Intermediate Similarity NPC278832
0.7299 Intermediate Similarity NPC64157
0.7293 Intermediate Similarity NPC939
0.728 Intermediate Similarity NPC128825
0.728 Intermediate Similarity NPC33717
0.7279 Intermediate Similarity NPC265793
0.7273 Intermediate Similarity NPC259554
0.7273 Intermediate Similarity NPC112706
0.7273 Intermediate Similarity NPC329707
0.7273 Intermediate Similarity NPC207294
0.7273 Intermediate Similarity NPC234639
0.7273 Intermediate Similarity NPC209111
0.7266 Intermediate Similarity NPC473983
0.7266 Intermediate Similarity NPC473988
0.7266 Intermediate Similarity NPC201370
0.7265 Intermediate Similarity NPC217226
0.726 Intermediate Similarity NPC474378
0.726 Intermediate Similarity NPC474219
0.7259 Intermediate Similarity NPC470160
0.7254 Intermediate Similarity NPC37488
0.7254 Intermediate Similarity NPC10302
0.7254 Intermediate Similarity NPC105381
0.7254 Intermediate Similarity NPC195920
0.7252 Intermediate Similarity NPC52035
0.7244 Intermediate Similarity NPC35744
0.7244 Intermediate Similarity NPC61779
0.7244 Intermediate Similarity NPC137710
0.7241 Intermediate Similarity NPC212257
0.7239 Intermediate Similarity NPC327457
0.7239 Intermediate Similarity NPC89133
0.7239 Intermediate Similarity NPC86774
0.7234 Intermediate Similarity NPC110305
0.723 Intermediate Similarity NPC474542
0.7226 Intermediate Similarity NPC66705
0.7226 Intermediate Similarity NPC298900
0.7222 Intermediate Similarity NPC45104
0.7222 Intermediate Similarity NPC107482
0.7218 Intermediate Similarity NPC2596
0.7214 Intermediate Similarity NPC477535
0.7214 Intermediate Similarity NPC477537
0.7203 Intermediate Similarity NPC475864

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC76844 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
0.784 Intermediate Similarity NPD9717 Approved
0.7615 Intermediate Similarity NPD6832 Phase 2
0.7519 Intermediate Similarity NPD1203 Approved
0.7445 Intermediate Similarity NPD2344 Approved
0.7426 Intermediate Similarity NPD2799 Discontinued
0.7368 Intermediate Similarity NPD2313 Discontinued
0.7319 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.728 Intermediate Similarity NPD9493 Approved
0.7252 Intermediate Similarity NPD2797 Approved
0.7239 Intermediate Similarity NPD411 Approved
0.7234 Intermediate Similarity NPD2309 Approved
0.7222 Intermediate Similarity NPD9092 Discovery
0.7206 Intermediate Similarity NPD447 Suspended
0.7197 Intermediate Similarity NPD1019 Discontinued
0.7197 Intermediate Similarity NPD5647 Approved
0.7197 Intermediate Similarity NPD2798 Approved
0.7177 Intermediate Similarity NPD1241 Discontinued
0.7111 Intermediate Similarity NPD3268 Approved
0.7092 Intermediate Similarity NPD1243 Approved
0.7077 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD2346 Discontinued
0.705 Intermediate Similarity NPD4308 Phase 3
0.7014 Intermediate Similarity NPD6799 Approved
0.7 Intermediate Similarity NPD2935 Discontinued
0.6992 Remote Similarity NPD6362 Approved
0.6972 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6957 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6957 Remote Similarity NPD1933 Approved
0.695 Remote Similarity NPD1471 Phase 3
0.6899 Remote Similarity NPD1894 Discontinued
0.6899 Remote Similarity NPD9545 Approved
0.6894 Remote Similarity NPD1608 Approved
0.6894 Remote Similarity NPD3972 Approved
0.6884 Remote Similarity NPD4307 Phase 2
0.6879 Remote Similarity NPD1551 Phase 2
0.6866 Remote Similarity NPD3266 Approved
0.6866 Remote Similarity NPD3267 Approved
0.6861 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6829 Remote Similarity NPD9264 Approved
0.6829 Remote Similarity NPD9263 Approved
0.6829 Remote Similarity NPD9267 Approved
0.6828 Remote Similarity NPD643 Clinical (unspecified phase)
0.6821 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6821 Remote Similarity NPD7819 Suspended
0.6806 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6806 Remote Similarity NPD3750 Approved
0.6806 Remote Similarity NPD4628 Phase 3
0.68 Remote Similarity NPD7411 Suspended
0.68 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6797 Remote Similarity NPD3749 Approved
0.6791 Remote Similarity NPD1876 Approved
0.6774 Remote Similarity NPD74 Approved
0.6774 Remote Similarity NPD9266 Approved
0.6767 Remote Similarity NPD1481 Phase 2
0.6763 Remote Similarity NPD1240 Approved
0.6761 Remote Similarity NPD2796 Approved
0.6759 Remote Similarity NPD2354 Approved
0.6757 Remote Similarity NPD920 Approved
0.6757 Remote Similarity NPD5403 Approved
0.6748 Remote Similarity NPD3134 Approved
0.6741 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6735 Remote Similarity NPD5401 Approved
0.6735 Remote Similarity NPD642 Clinical (unspecified phase)
0.6733 Remote Similarity NPD6599 Discontinued
0.6714 Remote Similarity NPD6355 Discontinued
0.6712 Remote Similarity NPD7440 Discontinued
0.6692 Remote Similarity NPD1535 Discovery
0.6691 Remote Similarity NPD6233 Phase 2
0.669 Remote Similarity NPD3748 Approved
0.669 Remote Similarity NPD7033 Discontinued
0.6689 Remote Similarity NPD6273 Approved
0.6688 Remote Similarity NPD7075 Discontinued
0.6667 Remote Similarity NPD2598 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2296 Approved
0.6667 Remote Similarity NPD1607 Approved
0.6667 Remote Similarity NPD3225 Approved
0.6667 Remote Similarity NPD3226 Approved
0.6667 Remote Similarity NPD1549 Phase 2
0.6667 Remote Similarity NPD1778 Approved
0.6667 Remote Similarity NPD9697 Approved
0.6667 Remote Similarity NPD17 Approved
0.6643 Remote Similarity NPD3142 Approved
0.6643 Remote Similarity NPD3140 Approved
0.6639 Remote Similarity NPD9261 Approved
0.6624 Remote Similarity NPD6808 Phase 2
0.6623 Remote Similarity NPD7768 Phase 2
0.6622 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6622 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6619 Remote Similarity NPD3764 Approved
0.6619 Remote Similarity NPD6798 Discontinued
0.6617 Remote Similarity NPD3496 Discontinued
0.6597 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6597 Remote Similarity NPD2353 Approved
0.6597 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6597 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6594 Remote Similarity NPD2614 Approved
0.6589 Remote Similarity NPD690 Clinical (unspecified phase)
0.6577 Remote Similarity NPD5049 Phase 3
0.6575 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6571 Remote Similarity NPD4062 Phase 3
0.6571 Remote Similarity NPD8032 Phase 2
0.6567 Remote Similarity NPD422 Phase 1
0.6562 Remote Similarity NPD5535 Approved
0.656 Remote Similarity NPD1358 Approved
0.6552 Remote Similarity NPD970 Clinical (unspecified phase)
0.6549 Remote Similarity NPD6653 Approved
0.6536 Remote Similarity NPD6801 Discontinued
0.6536 Remote Similarity NPD6279 Approved
0.6536 Remote Similarity NPD6280 Approved
0.6531 Remote Similarity NPD3887 Approved
0.6522 Remote Similarity NPD454 Approved
0.6516 Remote Similarity NPD3882 Suspended
0.6512 Remote Similarity NPD9069 Phase 1
0.651 Remote Similarity NPD4661 Approved
0.651 Remote Similarity NPD4662 Approved
0.6508 Remote Similarity NPD2182 Approved
0.6507 Remote Similarity NPD2800 Approved
0.6493 Remote Similarity NPD3847 Discontinued
0.6483 Remote Similarity NPD6004 Phase 3
0.6483 Remote Similarity NPD6005 Phase 3
0.6483 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6483 Remote Similarity NPD6002 Phase 3
0.6483 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6466 Remote Similarity NPD5585 Approved
0.6463 Remote Similarity NPD1562 Clinical (unspecified phase)
0.6463 Remote Similarity NPD7003 Approved
0.6462 Remote Similarity NPD9281 Approved
0.646 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6458 Remote Similarity NPD1510 Phase 2
0.6452 Remote Similarity NPD5402 Approved
0.6452 Remote Similarity NPD3817 Phase 2
0.6447 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6433 Remote Similarity NPD919 Approved
0.6429 Remote Similarity NPD7095 Approved
0.6429 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6844 Discontinued
0.6424 Remote Similarity NPD3869 Phase 3
0.6424 Remote Similarity NPD3873 Phase 3
0.6423 Remote Similarity NPD1283 Approved
0.6414 Remote Similarity NPD4477 Approved
0.6414 Remote Similarity NPD4476 Approved
0.6407 Remote Similarity NPD8434 Phase 2
0.6405 Remote Similarity NPD6585 Discontinued
0.6402 Remote Similarity NPD6559 Discontinued
0.64 Remote Similarity NPD2532 Approved
0.64 Remote Similarity NPD2534 Approved
0.64 Remote Similarity NPD2533 Approved
0.6393 Remote Similarity NPD1238 Approved
0.6378 Remote Similarity NPD2684 Approved
0.6378 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5889 Approved
0.6364 Remote Similarity NPD5890 Approved
0.6364 Remote Similarity NPD2366 Approved
0.6356 Remote Similarity NPD9365 Approved
0.6346 Remote Similarity NPD8443 Clinical (unspecified phase)
0.634 Remote Similarity NPD7458 Discontinued
0.6335 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6333 Remote Similarity NPD1511 Approved
0.6333 Remote Similarity NPD6143 Clinical (unspecified phase)
0.632 Remote Similarity NPD164 Approved
0.6316 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6308 Remote Similarity NPD7843 Approved
0.6301 Remote Similarity NPD5712 Approved
0.6299 Remote Similarity NPD290 Approved
0.6296 Remote Similarity NPD4626 Approved
0.629 Remote Similarity NPD291 Approved
0.6288 Remote Similarity NPD6671 Approved
0.6286 Remote Similarity NPD9494 Approved
0.6284 Remote Similarity NPD2654 Approved
0.6282 Remote Similarity NPD5760 Phase 2
0.6282 Remote Similarity NPD2801 Approved
0.6282 Remote Similarity NPD1006 Clinical (unspecified phase)
0.6282 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6282 Remote Similarity NPD5761 Phase 2
0.6273 Remote Similarity NPD3926 Phase 2
0.6271 Remote Similarity NPD9256 Approved
0.6271 Remote Similarity NPD9258 Approved
0.6268 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6268 Remote Similarity NPD1296 Phase 2
0.6266 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6259 Remote Similarity NPD1164 Approved
0.6259 Remote Similarity NPD6800 Clinical (unspecified phase)
0.625 Remote Similarity NPD1512 Approved
0.625 Remote Similarity NPD4622 Approved
0.625 Remote Similarity NPD1184 Approved
0.625 Remote Similarity NPD4618 Approved
0.6242 Remote Similarity NPD4110 Phase 3
0.6242 Remote Similarity NPD7318 Phase 3
0.6242 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6241 Remote Similarity NPD405 Clinical (unspecified phase)
0.6232 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6232 Remote Similarity NPD4359 Approved
0.6231 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6226 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5691 Approved
0.622 Remote Similarity NPD7286 Phase 2
0.6218 Remote Similarity NPD1934 Approved
0.6218 Remote Similarity NPD7577 Discontinued
0.6216 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6216 Remote Similarity NPD5958 Discontinued

Structure

External Identifiers

PubChem CID   10473105
ChEMBL   CHEMBL478746
ZINC  

Physicochemical Properties

Molecular Weight:  350.28
ALogP:  -4.0842
MLogP:  3.55
XLogP:  9.453
# Rotatable Bonds:  19
Polar Surface Area:  50.44
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  25

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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