Natural Product: NPC119326

Natural Product ID:  NPC119326
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C29H37NO3
Standard InCHIKey:  ZRZRJHAYWIOCML-DAORKYKSSA-N
Standard InCHI:  InChI=1S/C29H37NO3/c1-19-9-8-12-25-28(19,3)15-13-20(2)29(25,4)18-22-26(32)23(17-24(31)27(22)33)30-16-14-21-10-6-5-7-11-21/h5-7,9-11,17,20,25,30,33H,8,12-16,18H2,1-4H3/t20-,25+,28-,29+/m0/s1
Canonical SMILES:  O=C1C=C(NCCc2ccccc2)C(=O)C(=C1O)C[C@]1(C)[C@@H](C)CC[C@@]2([C@H]1CCC=C2C)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
NPO13603 Dactylospongia metachromia Species Thorectidae Eukaryota PMID[24479418]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1864 Cell Line L5178Y Mus musculus IC50 = 1100 nM 16252909

  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 NPC119326 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
0.8613 High Similarity NPC2672
0.7881 Intermediate Similarity NPC34193
0.75 Intermediate Similarity NPC24596
0.7479 Intermediate Similarity NPC472788
0.7394 Intermediate Similarity NPC153007
0.7381 Intermediate Similarity NPC72688
0.7339 Intermediate Similarity NPC185929
0.7154 Intermediate Similarity NPC176336
0.7143 Intermediate Similarity NPC126458
0.7099 Intermediate Similarity NPC472164
0.7071 Intermediate Similarity NPC179224
0.6957 Remote Similarity NPC192533
0.6941 Remote Similarity NPC47190
0.6929 Remote Similarity NPC167336
0.6894 Remote Similarity NPC126676
0.6894 Remote Similarity NPC469671
0.6879 Remote Similarity NPC40488
0.6875 Remote Similarity NPC474473
0.687 Remote Similarity NPC275410
0.6821 Remote Similarity NPC246412
0.6818 Remote Similarity NPC143768
0.6803 Remote Similarity NPC246757
0.6803 Remote Similarity NPC291070
0.6797 Remote Similarity NPC67043
0.6791 Remote Similarity NPC473573
0.6786 Remote Similarity NPC79698
0.6781 Remote Similarity NPC478140
0.6774 Remote Similarity NPC239185
0.6761 Remote Similarity NPC116057
0.6755 Remote Similarity NPC119569
0.6746 Remote Similarity NPC476993
0.6742 Remote Similarity NPC218855
0.6741 Remote Similarity NPC469843
0.672 Remote Similarity NPC134882
0.672 Remote Similarity NPC75724
0.6716 Remote Similarity NPC113099
0.6692 Remote Similarity NPC470253
0.6692 Remote Similarity NPC471481
0.6689 Remote Similarity NPC473804
0.6667 Remote Similarity NPC472165
0.6644 Remote Similarity NPC315051
0.6644 Remote Similarity NPC150712
0.6643 Remote Similarity NPC472413
0.6642 Remote Similarity NPC234637
0.6642 Remote Similarity NPC130591
0.6641 Remote Similarity NPC475939
0.6641 Remote Similarity NPC472691
0.6641 Remote Similarity NPC471829
0.6641 Remote Similarity NPC474866
0.664 Remote Similarity NPC265220
0.6619 Remote Similarity NPC71684
0.6614 Remote Similarity NPC109514
0.6613 Remote Similarity NPC260233
0.6593 Remote Similarity NPC246904
0.6585 Remote Similarity NPC1682
0.6585 Remote Similarity NPC188844
0.6585 Remote Similarity NPC59677
0.6569 Remote Similarity NPC80605
0.6569 Remote Similarity NPC323440
0.6569 Remote Similarity NPC222968
0.656 Remote Similarity NPC185208
0.656 Remote Similarity NPC219573
0.6557 Remote Similarity NPC67585
0.6557 Remote Similarity NPC303967
0.6557 Remote Similarity NPC110420
0.6554 Remote Similarity NPC208725
0.6552 Remote Similarity NPC183722
0.6549 Remote Similarity NPC477248
0.6549 Remote Similarity NPC477249
0.6538 Remote Similarity NPC473418
0.6525 Remote Similarity NPC472415
0.6519 Remote Similarity NPC294458
0.6519 Remote Similarity NPC326664
0.6515 Remote Similarity NPC175585
0.6512 Remote Similarity NPC274443
0.6508 Remote Similarity NPC240042
0.6507 Remote Similarity NPC473962
0.6504 Remote Similarity NPC284475
0.6503 Remote Similarity NPC477937
0.65 Remote Similarity NPC103292
0.6493 Remote Similarity NPC186128
0.6493 Remote Similarity NPC292834
0.6489 Remote Similarity NPC473498
0.6489 Remote Similarity NPC100767
0.6479 Remote Similarity NPC328107
0.6479 Remote Similarity NPC285394
0.6475 Remote Similarity NPC298115
0.6471 Remote Similarity NPC93181
0.6463 Remote Similarity NPC473484
0.6457 Remote Similarity NPC49994
0.6452 Remote Similarity NPC153885
0.6452 Remote Similarity NPC323420
0.6447 Remote Similarity NPC472241
0.6444 Remote Similarity NPC474584
0.6439 Remote Similarity NPC470007
0.6434 Remote Similarity NPC244427
0.6434 Remote Similarity NPC222390
0.6429 Remote Similarity NPC179605
0.6429 Remote Similarity NPC279385
0.642 Remote Similarity NPC472121
0.6418 Remote Similarity NPC265513
0.6418 Remote Similarity NPC319579
0.6414 Remote Similarity NPC71271
0.6412 Remote Similarity NPC134120
0.6412 Remote Similarity NPC172483
0.6412 Remote Similarity NPC471186
0.6403 Remote Similarity NPC220698
0.6403 Remote Similarity NPC318173
0.64 Remote Similarity NPC34243
0.64 Remote Similarity NPC238219
0.6397 Remote Similarity NPC471721
0.6395 Remote Similarity NPC53044
0.6391 Remote Similarity NPC470252
0.6387 Remote Similarity NPC470579
0.6385 Remote Similarity NPC247976
0.6385 Remote Similarity NPC202613
0.6378 Remote Similarity NPC122493
0.6378 Remote Similarity NPC10781
0.6378 Remote Similarity NPC293628
0.6376 Remote Similarity NPC470441
0.6371 Remote Similarity NPC133461
0.637 Remote Similarity NPC471189
0.6364 Remote Similarity NPC472700
0.6364 Remote Similarity NPC472699
0.6351 Remote Similarity NPC313663
0.6351 Remote Similarity NPC149379
0.6338 Remote Similarity NPC268534
0.6336 Remote Similarity NPC275467
0.6336 Remote Similarity NPC329282
0.6335 Remote Similarity NPC222029
0.6328 Remote Similarity NPC145052
0.6324 Remote Similarity NPC93287
0.6323 Remote Similarity NPC472242
0.632 Remote Similarity NPC155232
0.6319 Remote Similarity NPC472414
0.6316 Remote Similarity NPC472683
0.6316 Remote Similarity NPC472695
0.6316 Remote Similarity NPC472701
0.6316 Remote Similarity NPC472696
0.6312 Remote Similarity NPC161956
0.6312 Remote Similarity NPC112373
0.6312 Remote Similarity NPC27833
0.6312 Remote Similarity NPC258531
0.6311 Remote Similarity NPC60408
0.6308 Remote Similarity NPC58200
0.6304 Remote Similarity NPC260886
0.6301 Remote Similarity NPC478162
0.6301 Remote Similarity NPC209389
0.6301 Remote Similarity NPC478165
0.6296 Remote Similarity NPC36495
0.6289 Remote Similarity NPC473002
0.6284 Remote Similarity NPC42423
0.6279 Remote Similarity NPC54647
0.6276 Remote Similarity NPC322433
0.6273 Remote Similarity NPC93343
0.6268 Remote Similarity NPC257490
0.626 Remote Similarity NPC471317
0.626 Remote Similarity NPC157778
0.6259 Remote Similarity NPC472245
0.6258 Remote Similarity NPC315368
0.625 Remote Similarity NPC324569
0.625 Remote Similarity NPC469903
0.625 Remote Similarity NPC318067
0.625 Remote Similarity NPC133135
0.625 Remote Similarity NPC222466
0.625 Remote Similarity NPC251579
0.6241 Remote Similarity NPC85560
0.6241 Remote Similarity NPC291962
0.6241 Remote Similarity NPC177684
0.6241 Remote Similarity NPC204784
0.6241 Remote Similarity NPC327481
0.6241 Remote Similarity NPC476645
0.6241 Remote Similarity NPC226143
0.6241 Remote Similarity NPC244933
0.6235 Remote Similarity NPC104345
0.6232 Remote Similarity NPC215419
0.6231 Remote Similarity NPC128248
0.6231 Remote Similarity NPC225079
0.6231 Remote Similarity NPC136810
0.6231 Remote Similarity NPC264728
0.6231 Remote Similarity NPC474582
0.6231 Remote Similarity NPC133809
0.6224 Remote Similarity NPC39818
0.6222 Remote Similarity NPC163867
0.622 Remote Similarity NPC256452
0.622 Remote Similarity NPC329430
0.622 Remote Similarity NPC472880
0.6216 Remote Similarity NPC316746
0.6216 Remote Similarity NPC471832
0.6214 Remote Similarity NPC268930
0.6209 Remote Similarity NPC238108
0.6209 Remote Similarity NPC472243
0.6207 Remote Similarity NPC101719
0.6207 Remote Similarity NPC470343
0.6207 Remote Similarity NPC472244
0.6207 Remote Similarity NPC295664
0.6204 Remote Similarity NPC469547
0.6204 Remote Similarity NPC477475
0.6204 Remote Similarity NPC477476
0.6202 Remote Similarity NPC322598

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC119326 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
0.7192 Intermediate Similarity NPD7082 Approved
0.7037 Intermediate Similarity NPD5836 Discontinued
0.6985 Remote Similarity NPD3836 Clinical (unspecified phase)
0.697 Remote Similarity NPD2319 Discontinued
0.696 Remote Similarity NPD6024 Approved
0.696 Remote Similarity NPD6027 Approved
0.6929 Remote Similarity NPD2197 Approved
0.6929 Remote Similarity NPD2192 Approved
0.6913 Remote Similarity NPD7259 Approved
0.6911 Remote Similarity NPD1100 Approved
0.6911 Remote Similarity NPD4655 Approved
0.6911 Remote Similarity NPD1099 Approved
0.6911 Remote Similarity NPD4657 Approved
0.6885 Remote Similarity NPD4094 Approved
0.6867 Remote Similarity NPD7295 Approved
0.6866 Remote Similarity NPD5162 Approved
0.6825 Remote Similarity NPD2193 Phase 2
0.6825 Remote Similarity NPD2648 Phase 3
0.6803 Remote Similarity NPD2878 Approved
0.6803 Remote Similarity NPD3980 Approved
0.6803 Remote Similarity NPD3982 Approved
0.6786 Remote Similarity NPD6330 Clinical (unspecified phase)
0.6783 Remote Similarity NPD2754 Discontinued
0.6774 Remote Similarity NPD3495 Discontinued
0.6763 Remote Similarity NPD1077 Clinical (unspecified phase)
0.6716 Remote Similarity NPD1073 Approved
0.6716 Remote Similarity NPD1074 Approved
0.6716 Remote Similarity NPD1075 Approved
0.6711 Remote Similarity NPD7720 Phase 2
0.6693 Remote Similarity NPD2196 Discontinued
0.6667 Remote Similarity NPD1763 Approved
0.6667 Remote Similarity NPD7478 Approved
0.6667 Remote Similarity NPD7088 Discontinued
0.6667 Remote Similarity NPD2056 Discontinued
0.6667 Remote Similarity NPD4497 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1767 Approved
0.6667 Remote Similarity NPD1766 Approved
0.6667 Remote Similarity NPD1765 Approved
0.6667 Remote Similarity NPD1761 Approved
0.6645 Remote Similarity NPD7602 Clinical (unspecified phase)
0.6642 Remote Similarity NPD1370 Approved
0.6642 Remote Similarity NPD1374 Approved
0.6642 Remote Similarity NPD1371 Approved
0.6642 Remote Similarity NPD1373 Approved
0.6622 Remote Similarity NPD6342 Discontinued
0.6596 Remote Similarity NPD4677 Discontinued
0.6594 Remote Similarity NPD4504 Clinical (unspecified phase)
0.6593 Remote Similarity NPD1021 Approved
0.6593 Remote Similarity NPD1023 Approved
0.6593 Remote Similarity NPD1022 Approved
0.6593 Remote Similarity NPD1020 Approved
0.6585 Remote Similarity NPD7631 Approved
0.6579 Remote Similarity NPD7487 Discontinued
0.6575 Remote Similarity NPD1874 Clinical (unspecified phase)
0.6573 Remote Similarity NPD5339 Clinical (unspecified phase)
0.6562 Remote Similarity NPD4803 Discontinued
0.6562 Remote Similarity NPD2171 Approved
0.6557 Remote Similarity NPD5915 Approved
0.6554 Remote Similarity NPD8125 Discontinued
0.6554 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6541 Remote Similarity NPD3643 Approved
0.6541 Remote Similarity NPD3642 Approved
0.6541 Remote Similarity NPD3644 Approved
0.6538 Remote Similarity NPD7606 Phase 3
0.6522 Remote Similarity NPD5511 Discontinued
0.6512 Remote Similarity NPD3357 Discontinued
0.6507 Remote Similarity NPD5581 Approved
0.6504 Remote Similarity NPD7609 Phase 3
0.649 Remote Similarity NPD4461 Discontinued
0.6479 Remote Similarity NPD2371 Approved
0.6479 Remote Similarity NPD5157 Phase 1
0.6479 Remote Similarity NPD5159 Phase 2
0.6479 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6471 Remote Similarity NPD3551 Approved
0.6471 Remote Similarity NPD747 Discontinued
0.6462 Remote Similarity NPD2577 Clinical (unspecified phase)
0.6457 Remote Similarity NPD253 Approved
0.6446 Remote Similarity NPD4145 Approved
0.6446 Remote Similarity NPD4146 Approved
0.6443 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6438 Remote Similarity NPD6919 Clinical (unspecified phase)
0.6429 Remote Similarity NPD4733 Approved
0.6412 Remote Similarity NPD1677 Discontinued
0.6412 Remote Similarity NPD5717 Approved
0.6408 Remote Similarity NPD3880 Clinical (unspecified phase)
0.6407 Remote Similarity NPD5466 Approved
0.6406 Remote Similarity NPD2066 Phase 3
0.6403 Remote Similarity NPD2227 Clinical (unspecified phase)
0.6403 Remote Similarity NPD7009 Phase 2
0.64 Remote Similarity NPD4077 Clinical (unspecified phase)
0.6389 Remote Similarity NPD6565 Approved
0.6389 Remote Similarity NPD6563 Approved
0.6389 Remote Similarity NPD6564 Approved
0.6387 Remote Similarity NPD6609 Clinical (unspecified phase)
0.6383 Remote Similarity NPD3881 Discontinued
0.6382 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6378 Remote Similarity NPD9566 Approved
0.6376 Remote Similarity NPD2331 Discontinued
0.6371 Remote Similarity NPD4543 Discontinued
0.637 Remote Similarity NPD2918 Clinical (unspecified phase)
0.637 Remote Similarity NPD2919 Clinical (unspecified phase)
0.637 Remote Similarity NPD6359 Clinical (unspecified phase)
0.6357 Remote Similarity NPD6994 Approved
0.6357 Remote Similarity NPD6993 Approved
0.6357 Remote Similarity NPD5630 Phase 1
0.6352 Remote Similarity NPD5086 Approved
0.6351 Remote Similarity NPD7713 Phase 3
0.6351 Remote Similarity NPD7715 Approved
0.6351 Remote Similarity NPD7714 Approved
0.6351 Remote Similarity NPD1527 Phase 2
0.6349 Remote Similarity NPD5554 Approved
0.6345 Remote Similarity NPD4980 Approved
0.6331 Remote Similarity NPD7610 Discontinued
0.6331 Remote Similarity NPD3806 Clinical (unspecified phase)
0.6324 Remote Similarity NPD2607 Approved
0.6316 Remote Similarity NPD3420 Clinical (unspecified phase)
0.6312 Remote Similarity NPD4416 Clinical (unspecified phase)
0.6311 Remote Similarity NPD3426 Approved
0.6311 Remote Similarity NPD3428 Approved
0.631 Remote Similarity NPD5033 Approved
0.6309 Remote Similarity NPD5182 Approved
0.6309 Remote Similarity NPD5184 Approved
0.6309 Remote Similarity NPD6623 Phase 3
0.6309 Remote Similarity NPD5185 Approved
0.6308 Remote Similarity NPD4119 Approved
0.6304 Remote Similarity NPD4031 Approved
0.6304 Remote Similarity NPD1323 Discontinued
0.6304 Remote Similarity NPD4032 Approved
0.6301 Remote Similarity NPD7084 Phase 3
0.6299 Remote Similarity NPD2005 Discontinued
0.6296 Remote Similarity NPD5927 Discontinued
0.6294 Remote Similarity NPD6637 Approved
0.6291 Remote Similarity NPD6295 Approved
0.6291 Remote Similarity NPD6294 Approved
0.6286 Remote Similarity NPD6835 Approved
0.6286 Remote Similarity NPD6343 Approved
0.6286 Remote Similarity NPD6345 Approved
0.6277 Remote Similarity NPD3598 Phase 3
0.6276 Remote Similarity NPD9540 Approved
0.6275 Remote Similarity NPD2010 Phase 3
0.6273 Remote Similarity NPD7091 Discontinued
0.627 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6268 Remote Similarity NPD2956 Clinical (unspecified phase)
0.6268 Remote Similarity NPD4879 Approved
0.6259 Remote Similarity NPD5263 Approved
0.6258 Remote Similarity NPD5918 Discontinued
0.625 Remote Similarity NPD7254 Discontinued
0.625 Remote Similarity NPD3547 Approved
0.625 Remote Similarity NPD2790 Discontinued
0.625 Remote Similarity NPD3549 Approved
0.625 Remote Similarity NPD182 Clinical (unspecified phase)
0.625 Remote Similarity NPD3299 Clinical (unspecified phase)
0.625 Remote Similarity NPD3550 Clinical (unspecified phase)
0.6242 Remote Similarity NPD7794 Clinical (unspecified phase)
0.6241 Remote Similarity NPD7130 Phase 3
0.6241 Remote Similarity NPD1710 Approved
0.6232 Remote Similarity NPD2508 Discontinued
0.6232 Remote Similarity NPD851 Approved
0.6232 Remote Similarity NPD853 Approved
0.6225 Remote Similarity NPD5227 Clinical (unspecified phase)
0.6222 Remote Similarity NPD4063 Clinical (unspecified phase)
0.6218 Remote Similarity NPD8131 Suspended
0.6215 Remote Similarity NPD7283 Approved
0.6214 Remote Similarity NPD5990 Approved
0.6214 Remote Similarity NPD5991 Approved
0.621 Remote Similarity NPD771 Phase 3
0.6207 Remote Similarity NPD2199 Approved
0.6207 Remote Similarity NPD5577 Clinical (unspecified phase)
0.6207 Remote Similarity NPD5578 Approved
0.6207 Remote Similarity NPD1482 Clinical (unspecified phase)
0.6207 Remote Similarity NPD2198 Approved
0.6207 Remote Similarity NPD6792 Phase 3
0.6204 Remote Similarity NPD7094 Approved
0.6204 Remote Similarity NPD6858 Approved
0.62 Remote Similarity NPD3373 Approved
0.6199 Remote Similarity NPD4956 Approved
0.6194 Remote Similarity NPD2820 Phase 3
0.619 Remote Similarity NPD1781 Discontinued
0.619 Remote Similarity NPD4549 Discontinued
0.6185 Remote Similarity NPD7962 Phase 2
0.6184 Remote Similarity NPD4705 Clinical (unspecified phase)
0.6184 Remote Similarity NPD7541 Clinical (unspecified phase)
0.6184 Remote Similarity NPD6852 Discontinued
0.6184 Remote Similarity NPD6358 Phase 2
0.6183 Remote Similarity NPD813 Approved
0.6183 Remote Similarity NPD4817 Approved
0.6183 Remote Similarity NPD4719 Phase 2
0.6183 Remote Similarity NPD5716 Approved
0.6183 Remote Similarity NPD4818 Approved
0.6181 Remote Similarity NPD3071 Approved
0.6181 Remote Similarity NPD3073 Approved
0.6181 Remote Similarity NPD3072 Approved
0.6179 Remote Similarity NPD2002 Discontinued
0.6179 Remote Similarity NPD650 Approved
0.6172 Remote Similarity NPD2895 Discontinued
0.6154 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6154 Remote Similarity NPD1124 Approved
0.6154 Remote Similarity NPD742 Approved
0.6154 Remote Similarity NPD1123 Approved
0.6149 Remote Similarity NPD5202 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3109399
ZINC  

Physicochemical Properties

Molecular Weight:  447.28
ALogP:  1.6891
MLogP:  4.21
XLogP:  10.179
# Rotatable Bonds:  11
Polar Surface Area:  66.4
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  33

Download Data

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